data_5DC_10CPP
_audit_creation_date               2023-12-14
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C60 H40, 2(C24 B F20), C30 H20, 4.33(C H2 Cl2)'
_chemical_formula_sum              'C142.33 H68.66 B2 Cl8.66 F40'
_chemical_formula_weight           2867.21
_chemical_melting_point            ?
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'
 'B' 'B' 0.0013 0.0007 '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'

_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.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_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'

_cell_length_a                     28.4017(4)
_cell_length_b                     20.3156(3)
_cell_length_c                     41.3026(8)
_cell_angle_alpha                  90
_cell_angle_beta                   97.433(2)
_cell_angle_gamma                  90
_cell_volume                       23631.2(7)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      70350
_cell_measurement_temperature      103(2)
_cell_measurement_theta_max        28.8400
_cell_measurement_theta_min        1.6440
_shelx_estimated_absorpt_T_max     0.987
_shelx_estimated_absorpt_T_min     0.953
_exptl_absorpt_coefficient_mu      0.326
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.66899
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              green
_exptl_crystal_colour_primary      green
_exptl_crystal_density_diffrn      1.612
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         prism
_exptl_crystal_F_000               11519
_exptl_crystal_size_max            0.15
_exptl_crystal_size_mid            0.1
_exptl_crystal_size_min            0.04
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0686
_diffrn_reflns_av_unetI/netI       0.0624
_diffrn_reflns_Laue_measured_fraction_full  0.987
_diffrn_reflns_Laue_measured_fraction_max  0.919
_diffrn_reflns_limit_h_max         36
_diffrn_reflns_limit_h_min         -36
_diffrn_reflns_limit_k_max         27
_diffrn_reflns_limit_k_min         -27
_diffrn_reflns_limit_l_max         55
_diffrn_reflns_limit_l_min         -55
_diffrn_reflns_number              177842
_diffrn_reflns_point_group_measured_fraction_full  0.987
_diffrn_reflns_point_group_measured_fraction_max  0.919
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           28.848
_diffrn_reflns_theta_min           1.527
_diffrn_ambient_temperature        103(2)
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.987
_diffrn_measured_fraction_theta_max  0.919
_diffrn_measurement_device_type   'Rigaku Saturn'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed X-ray tube'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  18616
_reflns_number_total               28478
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection        'CrystalClear (Rigaku, 1999)'
_computing_data_reduction          'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics      'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max           0.971
_refine_diff_density_min           -0.838
_refine_diff_density_rms           0.064
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1913
_refine_ls_number_reflns           28478
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1053
_refine_ls_R_factor_gt             0.0575
_refine_ls_restrained_S_all        1.027
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0411P)²+54.8053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1120
_refine_ls_wR_factor_ref           0.1288
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(Cl6) = Uanis(C156) = Uanis(C157)
Uanis(Cl9) = Uanis(Cl11)
Uanis(Cl10) = Uanis(Cl12)
3. Others
 Sof(H15C)=Sof(H15D)=Sof(Cl11)=Sof(Cl12)=1-FVAR(1)
 Sof(H15A)=Sof(H15B)=Sof(Cl9)=Sof(Cl10)=FVAR(1)
 Fixed Sof: C46(0.5) C47(0.5) H47(0.5) C48(0.5) H48(0.5) C49(0.5) C50(0.5)
 H50(0.5) C51(0.5) H51(0.5) C52(0.5) C53(0.5) H53(0.5) C54(0.5) H54(0.5)
 C55(0.5) C56(0.5) H56(0.5) C57(0.5) H57(0.5) C58(0.5) C59(0.5) H59(0.5)
 C60(0.5) H60(0.5) C61(0.5) C62(0.5) H62(0.5) C63(0.5) H63(0.5) C64(0.5)
 C65(0.5) H65(0.5) C66(0.5) H66(0.5) C67(0.5) C68(0.5) H68(0.5) C69(0.5)
 H69(0.5) C70(0.5) C71(0.5) H71(0.5) C72(0.5) H72(0.5) C73(0.5) C74(0.5)
 H74(0.5) C75(0.5) H75(0.5) C156(0.5) H15I(0.5) H15J(0.5) Cl5(0.5) Cl6(0.5)
 C157(0.5) H15K(0.5) H15L(0.5) Cl7(0.5) Cl8(0.5) C159(0.33) H15M(0.33)
 H15N(0.33) Cl13(0.33) Cl14(0.33)
4.a Secondary CH2 refined with riding coordinates:
 C154(H15E,H15F), C155(H15G,H15H), C156(H15I,H15J), C157(H15K,H15L), C158(H15A,
 H15B), C158(H15C,H15D), C159(H15M,H15N)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C20(H20), C21(H21), C23(H23), C24(H24), C26(H26),
  C27(H27), C29(H29), C30(H30), C32(H32), C33(H33), C35(H35), C36(H36),
 C38(H38), C39(H39), C41(H41), C42(H42), C44(H44), C45(H45), C47(H47), C48(H48),
  C50(H50), C51(H51), C53(H53), C54(H54), C56(H56), C57(H57), C59(H59),
 C60(H60), C62(H62), C63(H63), C65(H65), C66(H66), C68(H68), C69(H69), C71(H71),
  C72(H72), C74(H74), C75(H75), C77(H77), C78(H78), C80(H80), C81(H81),
 C83(H83), C84(H84), C86(H86), C87(H87), C89(H89), C90(H90), C92(H92), C93(H93),
  C95(H95), C96(H96), C98(H98), C99(H99), C101(H101), C102(H102), C104(H104),
 C105(H105)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     difmap
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 0.49558(9) 0.50771(12) 0.23268(7) 0.0242(6) Uani 1 1 d . . . . .
 C2 C 0.53363(9) 0.51867(13) 0.21353(7) 0.0259(6) Uani 1 1 d . . . . .
 H2 H 0.563936 0.499674 0.220076 0.031 Uiso 1 1 calc R U . . .
 C3 C 0.52638(9) 0.55606(13) 0.18614(7) 0.0255(6) Uani 1 1 d . . . . .
 H3 H 0.551593 0.562918 0.173479 0.031 Uiso 1 1 calc R U . . .
 C4 C 0.48102(9) 0.58521(14) 0.17623(7) 0.0242(6) Uani 1 1 d . . . . .
 C5 C 0.44169(9) 0.55468(13) 0.18876(7) 0.0256(6) Uani 1 1 d . . . . .
 H5 H 0.410429 0.560815 0.177880 0.031 Uiso 1 1 calc R U . . .
 C6 C 0.44880(9) 0.51721(13) 0.21597(7) 0.0258(6) Uani 1 1 d . . . . .
 H6 H 0.422499 0.497009 0.224060 0.031 Uiso 1 1 calc R U . . .
 C7 C 0.47757(9) 0.65135(14) 0.16454(6) 0.0243(6) Uani 1 1 d . . . . .
 C8 C 0.51954(9) 0.68923(14) 0.16234(7) 0.0259(6) Uani 1 1 d . . . . .
 H8 H 0.545472 0.670099 0.153342 0.031 Uiso 1 1 calc R U . . .
 C9 C 0.52236(9) 0.75244(14) 0.17310(7) 0.0271(6) Uani 1 1 d . . . . .
 H9 H 0.550195 0.777615 0.171635 0.032 Uiso 1 1 calc R U . . .
 C10 C 0.48314(10) 0.78094(13) 0.18667(7) 0.0287(6) Uani 1 1 d . . . . .
 C11 C 0.43806(10) 0.75130(15) 0.17683(7) 0.0298(7) Uani 1 1 d . . . . .
 H11 H 0.409842 0.775860 0.177900 0.036 Uiso 1 1 calc R U . . .
 C12 C 0.43522(9) 0.68853(15) 0.16598(7) 0.0294(7) Uani 1 1 d . . . . .
 H12 H 0.405087 0.669132 0.159328 0.035 Uiso 1 1 calc R U . . .
 C13 C 0.49101(10) 0.81923(13) 0.21576(8) 0.0319(7) Uani 1 1 d . . . . .
 C14 C 0.53774(11) 0.82997(14) 0.23186(8) 0.0365(8) Uani 1 1 d . . . . .
 H14 H 0.563012 0.837190 0.219299 0.044 Uiso 1 1 calc R U . . .
 C15 C 0.54670(11) 0.83002(14) 0.26501(8) 0.0378(8) Uani 1 1 d . . . . .
 H15 H 0.578094 0.837254 0.275425 0.045 Uiso 1 1 calc R U . . .
 C16 C 0.47374(10) 0.34489(14) 0.27572(8) 0.0321(7) Uani 1 1 d . . . . .
 H16 H 0.455175 0.340793 0.293167 0.039 Uiso 1 1 calc R U . . .
 C17 C 0.45121(10) 0.34580(14) 0.24386(8) 0.0325(7) Uani 1 1 d . . . . .
 H17 H 0.417539 0.343622 0.240014 0.039 Uiso 1 1 calc R U . . .
 C18 C 0.47697(10) 0.34985(13) 0.21723(7) 0.0273(6) Uani 1 1 d . . . . .
 C19 C 0.45334(9) 0.36914(13) 0.18443(7) 0.0269(6) Uani 1 1 d . . . . .
 C20 C 0.40365(10) 0.37035(13) 0.17643(8) 0.0309(7) Uani 1 1 d . . . . .
 H20 H 0.384448 0.346060 0.189379 0.037 Uiso 1 1 calc R U . . .
 C21 C 0.38223(10) 0.40621(14) 0.15010(8) 0.0313(7) Uani 1 1 d . . . . .
 H21 H 0.348597 0.406189 0.145361 0.038 Uiso 1 1 calc R U . . .
 C22 C 0.40909(9) 0.44247(13) 0.13032(7) 0.0263(6) Uani 1 1 d . . . . .
 C23 C 0.45831(9) 0.43367(13) 0.13556(7) 0.0250(6) Uani 1 1 d . . . . .
 H23 H 0.477383 0.452343 0.120656 0.030 Uiso 1 1 calc R U . . .
 C24 C 0.47970(9) 0.39834(12) 0.16200(7) 0.0241(6) Uani 1 1 d . . . . .
 H24 H 0.513271 0.393750 0.165017 0.029 Uiso 1 1 calc R U . . .
 C25 C 0.38912(9) 0.49885(14) 0.11011(7) 0.0268(6) Uani 1 1 d . . . . .
 C26 C 0.35188(9) 0.53490(14) 0.12063(7) 0.0293(7) Uani 1 1 d . . . . .
 H26 H 0.332481 0.515032 0.134987 0.035 Uiso 1 1 calc R U . . .
 C27 C 0.34300(9) 0.59912(14) 0.11038(7) 0.0272(6) Uani 1 1 d . . . . .
 H27 H 0.317710 0.622627 0.118040 0.033 Uiso 1 1 calc R U . . .
 C28 C 0.37030(8) 0.63023(14) 0.08905(7) 0.0252(6) Uani 1 1 d . . . . .
 C29 C 0.40234(9) 0.59035(14) 0.07476(7) 0.0259(6) Uani 1 1 d . . . . .
 H29 H 0.417936 0.607664 0.057620 0.031 Uiso 1 1 calc R U . . .
 C30 C 0.41164(9) 0.52654(14) 0.08511(7) 0.0271(6) Uani 1 1 d . . . . .
 H30 H 0.433716 0.500907 0.075089 0.033 Uiso 1 1 calc R U . . .
 C31 C 0.37274(9) 0.70327(14) 0.08905(7) 0.0243(6) Uani 1 1 d . . . . .
 C32 C 0.33649(9) 0.74279(14) 0.09882(7) 0.0271(6) Uani 1 1 d . . . . .
 H32 H 0.305102 0.725893 0.097382 0.033 Uiso 1 1 calc R U . . .
 C33 C 0.34579(9) 0.80590(14) 0.11050(7) 0.0267(6) Uani 1 1 d . . . . .
 H33 H 0.320577 0.831609 0.116831 0.032 Uiso 1 1 calc R U . . .
 C34 C 0.39172(9) 0.83283(13) 0.11321(7) 0.0245(6) Uani 1 1 d . . . . .
 C35 C 0.42538(9) 0.79715(14) 0.09877(7) 0.0271(6) Uani 1 1 d . . . . .
 H35 H 0.455348 0.816616 0.096966 0.032 Uiso 1 1 calc R U . . .
 C36 C 0.41621(9) 0.73413(14) 0.08700(7) 0.0266(6) Uani 1 1 d . . . . .
 H36 H 0.440004 0.711287 0.077303 0.032 Uiso 1 1 calc R U . . .
 C37 C 0.40662(8) 0.88930(13) 0.13488(7) 0.0237(6) Uani 1 1 d . . . . .
 C38 C 0.38099(9) 0.90686(13) 0.16010(7) 0.0246(6) Uani 1 1 d . . . . .
 H38 H 0.349511 0.890912 0.159893 0.030 Uiso 1 1 calc R U . . .
 C39 C 0.40030(9) 0.94701(13) 0.18545(7) 0.0256(6) Uani 1 1 d . . . . .
 H39 H 0.381707 0.958213 0.202174 0.031 Uiso 1 1 calc R U . . .
 C40 C 0.44680(9) 0.97160(13) 0.18703(7) 0.0270(6) Uani 1 1 d . . . . .
 C41 C 0.46979(9) 0.96071(13) 0.15950(8) 0.0288(7) Uani 1 1 d . . . . .
 H41 H 0.499465 0.981428 0.158177 0.035 Uiso 1 1 calc R U . . .
 C42 C 0.45047(9) 0.92071(13) 0.13428(7) 0.0273(6) Uani 1 1 d . . . . .
 H42 H 0.467236 0.914266 0.116071 0.033 Uiso 1 1 calc R U . . .
 C43 C 0.47307(9) 0.99494(13) 0.21843(8) 0.0296(7) Uani 1 1 d . . . . .
 C44 C 0.45142(10) 1.00120(15) 0.24676(8) 0.0370(8) Uani 1 1 d . . . . .
 H44 H 0.417948 1.006528 0.244937 0.044 Uiso 1 1 calc R U . . .
 C45 C 0.52248(10) 0.99983(15) 0.22263(8) 0.0362(7) Uani 1 1 d . . . . .
 H45 H 0.538616 1.002285 0.203906 0.043 Uiso 1 1 calc R U . . .
 C46 C 0.1523(3) 0.3456(4) 0.0199(2) 0.0286(16) Uani 0.5 1 d . . P A -1
 C47 C 0.1834(2) 0.4002(4) 0.0266(2) 0.0323(15) Uani 0.5 1 d . . P A -1
 H47 H 0.187366 0.419247 0.047809 0.039 Uiso 0.5 1 calc R U P A -1
 C48 C 0.2079(3) 0.4259(3) 0.00294(18) 0.0319(15) Uani 0.5 1 d . . P A -1
 H48 H 0.229259 0.461610 0.007541 0.038 Uiso 0.5 1 calc R U P A -1
 C49 C 0.2000(3) 0.3966(4) -0.0293(2) 0.033(2) Uani 0.5 1 d . . P A -1
 C50 C 0.1564(3) 0.3612(4) -0.03741(19) 0.0338(17) Uani 0.5 1 d . . P A -1
 H50 H 0.143943 0.354359 -0.059617 0.041 Uiso 0.5 1 calc R U P A -1
 C51 C 0.1335(3) 0.3378(4) -0.0135(2) 0.0314(18) Uani 0.5 1 d . . P A -1
 H51 H 0.104061 0.315573 -0.018883 0.038 Uiso 0.5 1 calc R U P A -1
 C52 C 0.2401(3) 0.3843(4) -0.0469(2) 0.0338(19) Uani 0.5 1 d . . P A -1
 C53 C 0.2864(3) 0.3926(4) -0.0306(2) 0.0387(18) Uani 0.5 1 d . . P A -1
 H53 H 0.292895 0.427651 -0.015478 0.046 Uiso 0.5 1 calc R U P A -1
 C54 C 0.3223(3) 0.3507(4) -0.0364(2) 0.0382(18) Uani 0.5 1 d . . P A -1
 H54 H 0.353554 0.357509 -0.025594 0.046 Uiso 0.5 1 calc R U P A -1
 C55 C 0.3129(3) 0.2973(4) -0.05839(19) 0.0328(17) Uani 0.5 1 d . . P A -1
 C56 C 0.2706(3) 0.3028(4) -0.08090(17) 0.0353(16) Uani 0.5 1 d . . P A -1
 H56 H 0.267123 0.276871 -0.100206 0.042 Uiso 0.5 1 calc R U P A -1
 C57 C 0.2353(3) 0.3442(3) -0.07524(17) 0.0370(16) Uani 0.5 1 d . . P A -1
 H57 H 0.207119 0.346492 -0.090345 0.044 Uiso 0.5 1 calc R U P A -1
 C58 C 0.3356(3) 0.2344(5) -0.0510(2) 0.032(2) Uani 0.5 1 d . . P A -1
 C59 C 0.3711(2) 0.2276(4) -0.02340(17) 0.0342(15) Uani 0.5 1 d . . P A -1
 H59 H 0.394638 0.260634 -0.018668 0.041 Uiso 0.5 1 calc R U P A -1
 C60 C 0.3710(3) 0.1745(4) -0.0041(2) 0.0339(18) Uani 0.5 1 d . . P A -1
 H60 H 0.394928 0.169535 0.014028 0.041 Uiso 0.5 1 calc R U P A -1
 C61 C 0.3353(3) 0.1254(4) -0.0108(2) 0.0319(17) Uani 0.5 1 d . . P A -1
 C62 C 0.3134(2) 0.1209(4) -0.04428(18) 0.0318(15) Uani 0.5 1 d . . P A -1
 H62 H 0.298890 0.081026 -0.052420 0.038 Uiso 0.5 1 calc R U P A -1
 C63 C 0.3137(2) 0.1735(4) -0.06361(17) 0.0286(15) Uani 0.5 1 d . . P A -1
 H63 H 0.299534 0.171025 -0.085705 0.034 Uiso 0.5 1 calc R U P A -1
 C64 C 0.3106(3) 0.0995(4) 0.0146(2) 0.033(2) Uani 0.5 1 d . . P A -1
 C65 C 0.3224(3) 0.1266(4) 0.04699(19) 0.0299(16) Uani 0.5 1 d . . P A -1
 H65 H 0.354597 0.134366 0.055441 0.036 Uiso 0.5 1 calc R U P A -1
 C66 C 0.2875(2) 0.1408(3) 0.06531(18) 0.0301(14) Uani 0.5 1 d . . P A -1
 H66 H 0.295297 0.159012 0.086502 0.036 Uiso 0.5 1 calc R U P A -1
 C67 C 0.2392(3) 0.1284(3) 0.0529(2) 0.0286(17) Uani 0.5 1 d . . P A -1
 C68 C 0.2316(3) 0.0809(4) 0.0269(2) 0.0379(18) Uani 0.5 1 d . . P A -1
 H68 H 0.201846 0.059237 0.022467 0.045 Uiso 0.5 1 calc R U P A -1
 C69 C 0.2665(3) 0.0669(3) 0.00885(18) 0.0376(16) Uani 0.5 1 d . . P A -1
 H69 H 0.261350 0.034751 -0.007940 0.045 Uiso 0.5 1 calc R U P A -1
 C70 C 0.2026(3) 0.1725(4) 0.05928(19) 0.0319(17) Uani 0.5 1 d . . P A -1
 C71 C 0.2134(2) 0.2311(4) 0.07754(16) 0.0306(15) Uani 0.5 1 d . . P A -1
 H71 H 0.237240 0.230122 0.095918 0.037 Uiso 0.5 1 calc R U P A -1
 C72 C 0.1902(2) 0.2891(4) 0.06927(17) 0.0281(14) Uani 0.5 1 d . . P A -1
 H72 H 0.198081 0.327599 0.081863 0.034 Uiso 0.5 1 calc R U P A -1
 C73 C 0.1542(3) 0.2916(5) 0.0417(2) 0.0296(19) Uani 0.5 1 d . . P A -1
 C74 C 0.1339(2) 0.2287(4) 0.03146(17) 0.0330(15) Uani 0.5 1 d . . P A -1
 H74 H 0.103649 0.227338 0.018589 0.040 Uiso 0.5 1 calc R U P A -1
 C75 C 0.1566(2) 0.1725(4) 0.0397(2) 0.0352(18) Uani 0.5 1 d . . P A -1
 H75 H 0.142384 0.131845 0.032569 0.042 Uiso 0.5 1 calc R U P A -1
 C76 C 0.47273(8) 0.21784(13) -0.05803(6) 0.0196(5) Uani 1 1 d . . . . .
 C77 C 0.48828(8) 0.23558(13) -0.02585(7) 0.0211(6) Uani 1 1 d . . . . .
 H77 H 0.495382 0.280352 -0.020686 0.025 Uiso 1 1 calc R U . . .
 C78 C 0.49351(8) 0.18882(13) -0.00132(7) 0.0224(6) Uani 1 1 d . . . . .
 H78 H 0.503802 0.202367 0.020459 0.027 Uiso 1 1 calc R U . . .
 C79 C 0.48408(8) 0.12224(13) -0.00765(7) 0.0206(6) Uani 1 1 d . . . . .
 C80 C 0.47637(8) 0.10352(13) -0.04059(7) 0.0234(6) Uani 1 1 d . . . . .
 H80 H 0.475338 0.058109 -0.046123 0.028 Uiso 1 1 calc R U . . .
 C81 C 0.47025(8) 0.15028(13) -0.06516(7) 0.0223(6) Uani 1 1 d . . . . .
 H81 H 0.464247 0.136370 -0.087266 0.027 Uiso 1 1 calc R U . . .
 C82 C 0.47158(8) 0.07840(12) 0.01874(7) 0.0215(6) Uani 1 1 d . . . . .
 C83 C 0.48145(9) 0.09378(14) 0.05168(7) 0.0272(6) Uani 1 1 d . . . . .
 H83 H 0.506699 0.123244 0.058677 0.033 Uiso 1 1 calc R U . . .
 C84 C 0.45523(9) 0.06708(14) 0.07464(7) 0.0268(6) Uani 1 1 d . . . . .
 H84 H 0.462752 0.078936 0.096956 0.032 Uiso 1 1 calc R U . . .
 C85 C 0.41807(8) 0.02319(12) 0.06554(7) 0.0210(6) Uani 1 1 d . . . . .
 C86 C 0.41357(9) 0.00002(13) 0.03353(7) 0.0245(6) Uani 1 1 d . . . . .
 H86 H 0.392155 -0.035016 0.027283 0.029 Uiso 1 1 calc R U . . .
 C87 C 0.43952(9) 0.02679(13) 0.01064(7) 0.0245(6) Uani 1 1 d . . . . .
 H87 H 0.435519 0.009853 -0.010978 0.029 Uiso 1 1 calc R U . . .
 C88 C 0.37932(8) 0.01086(12) 0.08574(6) 0.0197(5) Uani 1 1 d . . . . .
 C89 C 0.37346(9) 0.05101(12) 0.11253(6) 0.0213(6) Uani 1 1 d . . . . .
 H89 H 0.398941 0.078236 0.121703 0.026 Uiso 1 1 calc R U . . .
 C90 C 0.33121(9) 0.05165(12) 0.12582(6) 0.0208(5) Uani 1 1 d . . . . .
 H90 H 0.328438 0.079026 0.144128 0.025 Uiso 1 1 calc R U . . .
 C91 C 0.29244(8) 0.01303(12) 0.11301(6) 0.0183(5) Uani 1 1 d . . . . .
 C92 C 0.30076(9) -0.03348(12) 0.08927(7) 0.0222(6) Uani 1 1 d . . . . .
 H92 H 0.276911 -0.064945 0.082144 0.027 Uiso 1 1 calc R U . . .
 C93 C 0.34297(9) -0.03426(13) 0.07612(7) 0.0224(6) Uani 1 1 d . . . . .
 H93 H 0.347496 -0.066321 0.060064 0.027 Uiso 1 1 calc R U . . .
 C94 C 0.24342(8) 0.02914(12) 0.11949(6) 0.0191(5) Uani 1 1 d . . . . .
 C95 C 0.23445(9) 0.07144(13) 0.14483(7) 0.0227(6) Uani 1 1 d . . . . .
 H95 H 0.258833 0.079614 0.162374 0.027 Uiso 1 1 calc R U . . .
 C96 C 0.19061(9) 0.10153(13) 0.14470(6) 0.0219(6) Uani 1 1 d . . . . .
 H96 H 0.185592 0.130334 0.162050 0.026 Uiso 1 1 calc R U . . .
 C97 C 0.15350(8) 0.09020(12) 0.11941(6) 0.0194(5) Uani 1 1 d . . . . .
 C98 C 0.16053(8) 0.04129(12) 0.09682(6) 0.0204(5) Uani 1 1 d . . . . .
 H98 H 0.134729 0.028049 0.081212 0.024 Uiso 1 1 calc R U . . .
 C99 C 0.20456(8) 0.01160(12) 0.09671(6) 0.0194(5) Uani 1 1 d . . . . .
 H99 H 0.208389 -0.021237 0.080891 0.023 Uiso 1 1 calc R U . . .
 C100 C 0.11274(8) 0.13579(12) 0.11219(6) 0.0192(5) Uani 1 1 d . . . . .
 C101 C 0.11981(8) 0.20316(13) 0.11841(6) 0.0202(5) Uani 1 1 d . . . . .
 H101 H 0.146498 0.216949 0.133106 0.024 Uiso 1 1 calc R U . . .
 C102 C 0.08884(8) 0.24996(13) 0.10364(6) 0.0196(5) Uani 1 1 d . . . . .
 H102 H 0.094370 0.295144 0.108715 0.024 Uiso 1 1 calc R U . . .
 C103 C 0.04946(8) 0.23215(12) 0.08135(6) 0.0199(5) Uani 1 1 d . . . . .
 C104 C 0.03911(8) 0.16465(13) 0.07840(7) 0.0213(6) Uani 1 1 d . . . . .
 H104 H 0.010464 0.150927 0.065760 0.026 Uiso 1 1 calc R U . . .
 C105 C 0.06983(8) 0.11752(13) 0.09355(6) 0.0216(6) Uani 1 1 d . . . . .
 H105 H 0.061702 0.072244 0.091276 0.026 Uiso 1 1 calc R U . . .
 B1 B 0.40722(9) 0.34012(15) 0.42218(8) 0.0218(6) Uani 1 1 d . . . . .
 C106 C 0.45909(9) 0.31647(13) 0.41152(7) 0.0275(6) Uani 1 1 d . . . . .
 C107 C 0.49881(9) 0.31130(15) 0.43507(9) 0.0365(8) Uani 1 1 d . . . . .
 C108 C 0.54139(10) 0.28459(18) 0.42909(10) 0.0501(11) Uani 1 1 d . . . . .
 C109 C 0.54647(10) 0.25911(17) 0.39918(11) 0.0532(11) Uani 1 1 d . . . . .
 C110 C 0.50869(11) 0.26198(15) 0.37514(10) 0.0424(9) Uani 1 1 d . . . . .
 C111 C 0.46660(9) 0.29111(14) 0.38164(8) 0.0305(7) Uani 1 1 d . . . . .
 F1 F 0.49657(5) 0.33202(9) 0.46582(5) 0.0426(5) Uani 1 1 d . . . . .
 F2 F 0.57855(6) 0.28258(12) 0.45339(6) 0.0735(8) Uani 1 1 d . . . . .
 F3 F 0.58805(7) 0.23173(11) 0.39358(7) 0.0770(8) Uani 1 1 d . . . . .
 F4 F 0.51214(7) 0.23731(9) 0.34536(6) 0.0559(6) Uani 1 1 d . . . . .
 F5 F 0.43201(5) 0.29298(8) 0.35548(4) 0.0325(4) Uani 1 1 d . . . . .
 C112 C 0.39080(8) 0.27085(13) 0.43885(7) 0.0217(6) Uani 1 1 d . . . . .
 C113 C 0.39583(8) 0.25533(13) 0.47188(7) 0.0237(6) Uani 1 1 d . . . . .
 C114 C 0.38662(9) 0.19385(15) 0.48407(7) 0.0281(6) Uani 1 1 d . . . . .
 C115 C 0.37144(9) 0.14378(14) 0.46307(8) 0.0291(7) Uani 1 1 d . . . . .
 C116 C 0.36489(9) 0.15593(13) 0.42995(7) 0.0275(6) Uani 1 1 d . . . . .
 C117 C 0.37540(9) 0.21752(13) 0.41916(7) 0.0236(6) Uani 1 1 d . . . . .
 F6 F 0.41123(5) 0.30125(8) 0.49469(4) 0.0300(4) Uani 1 1 d . . . . .
 F7 F 0.39265(6) 0.18281(9) 0.51644(4) 0.0376(4) Uani 1 1 d . . . . .
 F8 F 0.36279(6) 0.08328(8) 0.47434(4) 0.0403(4) Uani 1 1 d . . . . .
 F9 F 0.34849(6) 0.10846(8) 0.40900(4) 0.0374(4) Uani 1 1 d . . . . .
 F10 F 0.36941(5) 0.22451(7) 0.38610(4) 0.0268(3) Uani 1 1 d . . . . .
 C118 C 0.41100(9) 0.40352(13) 0.44732(7) 0.0248(6) Uani 1 1 d . . . . .
 C119 C 0.37444(9) 0.41649(14) 0.46576(7) 0.0270(6) Uani 1 1 d . . . . .
 C120 C 0.37363(11) 0.46820(15) 0.48725(7) 0.0353(7) Uani 1 1 d . . . . .
 C121 C 0.41032(12) 0.51274(15) 0.49075(8) 0.0391(8) Uani 1 1 d . . . . .
 C122 C 0.44655(11) 0.50462(14) 0.47237(8) 0.0375(8) Uani 1 1 d . . . . .
 C123 C 0.44625(9) 0.45111(14) 0.45148(7) 0.0296(7) Uani 1 1 d . . . . .
 F11 F 0.33602(5) 0.37627(8) 0.46305(4) 0.0292(4) Uani 1 1 d . . . . .
 F12 F 0.33728(7) 0.47533(9) 0.50515(4) 0.0458(5) Uani 1 1 d . . . . .
 F13 F 0.41022(8) 0.56419(9) 0.51125(5) 0.0571(6) Uani 1 1 d . . . . .
 F14 F 0.48304(7) 0.54786(9) 0.47484(5) 0.0530(6) Uani 1 1 d . . . . .
 F15 F 0.48409(5) 0.44785(8) 0.43434(4) 0.0380(4) Uani 1 1 d . . . . .
 C124 C 0.36974(8) 0.36572(12) 0.39087(6) 0.0176(5) Uani 1 1 d . . . . .
 C125 C 0.38444(8) 0.41145(12) 0.36916(6) 0.0174(5) Uani 1 1 d . . . . .
 C126 C 0.35615(8) 0.43655(12) 0.34251(6) 0.0183(5) Uani 1 1 d . . . . .
 C127 C 0.30921(8) 0.41811(12) 0.33666(6) 0.0179(5) Uani 1 1 d . . . . .
 C128 C 0.29209(8) 0.37453(12) 0.35785(6) 0.0183(5) Uani 1 1 d . . . . .
 C129 C 0.32183(8) 0.35002(12) 0.38413(6) 0.0181(5) Uani 1 1 d . . . . .
 F16 F 0.42980(4) 0.43395(7) 0.37388(4) 0.0231(3) Uani 1 1 d . . . . .
 F17 F 0.37360(5) 0.47977(7) 0.32225(4) 0.0242(3) Uani 1 1 d . . . . .
 F18 F 0.28060(5) 0.44338(7) 0.31149(4) 0.0260(3) Uani 1 1 d . . . . .
 F19 F 0.24590(5) 0.35706(7) 0.35322(4) 0.0243(3) Uani 1 1 d . . . . .
 F20 F 0.30105(5) 0.30810(7) 0.40355(4) 0.0238(3) Uani 1 1 d . . . . .
 B2 B 0.22517(9) 0.36871(14) 0.21043(7) 0.0188(6) Uani 1 1 d . . . . .
 C130 C 0.19436(8) 0.31684(12) 0.23072(6) 0.0193(5) Uani 1 1 d . . . . .
 C131 C 0.19314(8) 0.31424(12) 0.26405(6) 0.0192(5) Uani 1 1 d . . . . .
 C132 C 0.17156(8) 0.26419(12) 0.27951(6) 0.0187(5) Uani 1 1 d . . . . .
 C133 C 0.14805(8) 0.21423(12) 0.26158(7) 0.0200(5) Uani 1 1 d . . . . .
 C134 C 0.14768(8) 0.21456(12) 0.22834(6) 0.0189(5) Uani 1 1 d . . . . .
 C135 C 0.17126(8) 0.26399(12) 0.21429(6) 0.0197(5) Uani 1 1 d . . . . .
 F21 F 0.21413(5) 0.36130(7) 0.28401(4) 0.0240(3) Uani 1 1 d . . . . .
 F22 F 0.17296(5) 0.26428(7) 0.31228(4) 0.0254(3) Uani 1 1 d . . . . .
 F23 F 0.12588(5) 0.16641(7) 0.27631(4) 0.0264(3) Uani 1 1 d . . . . .
 F24 F 0.12458(5) 0.16657(7) 0.20986(4) 0.0250(3) Uani 1 1 d . . . . .
 F25 F 0.17118(5) 0.25924(7) 0.18147(4) 0.0274(4) Uani 1 1 d . . . . .
 C136 C 0.24218(8) 0.43575(12) 0.23090(6) 0.0184(5) Uani 1 1 d . . . . .
 C137 C 0.28713(8) 0.46419(12) 0.23449(6) 0.0201(5) Uani 1 1 d . . . . .
 C138 C 0.29793(8) 0.52408(12) 0.24944(6) 0.0207(5) Uani 1 1 d . . . . .
 C139 C 0.26314(9) 0.55962(12) 0.26170(6) 0.0207(5) Uani 1 1 d . . . . .
 C140 C 0.21768(9) 0.53429(12) 0.25889(6) 0.0211(5) Uani 1 1 d . . . . .
 C141 C 0.20856(8) 0.47458(12) 0.24365(6) 0.0198(5) Uani 1 1 d . . . . .
 F26 F 0.32407(5) 0.43370(7) 0.22273(4) 0.0252(3) Uani 1 1 d . . . . .
 F27 F 0.34273(5) 0.54775(7) 0.25201(4) 0.0279(4) Uani 1 1 d . . . . .
 F28 F 0.27279(5) 0.61822(7) 0.27620(4) 0.0285(4) Uani 1 1 d . . . . .
 F29 F 0.18332(5) 0.56789(7) 0.27130(4) 0.0287(4) Uani 1 1 d . . . . .
 F30 F 0.16305(5) 0.45272(7) 0.24132(4) 0.0246(3) Uani 1 1 d . . . . .
 C142 C 0.26930(9) 0.31950(12) 0.20294(7) 0.0217(6) Uani 1 1 d . . . . .
 C143 C 0.30108(9) 0.29681(13) 0.22876(7) 0.0233(6) Uani 1 1 d . . . . .
 C144 C 0.33489(9) 0.24818(13) 0.22667(7) 0.0273(6) Uani 1 1 d . . . . .
 C145 C 0.33829(9) 0.22017(13) 0.19678(8) 0.0296(7) Uani 1 1 d . . . . .
 C146 C 0.30835(10) 0.24147(14) 0.17020(7) 0.0296(7) Uani 1 1 d . . . . .
 C147 C 0.27463(9) 0.28923(13) 0.17360(7) 0.0246(6) Uani 1 1 d . . . . .
 F31 F 0.29960(5) 0.32238(7) 0.25895(4) 0.0271(3) Uani 1 1 d . . . . .
 F32 F 0.36396(5) 0.22903(8) 0.25310(4) 0.0364(4) Uani 1 1 d . . . . .
 F33 F 0.37063(6) 0.17314(8) 0.19356(5) 0.0424(5) Uani 1 1 d . . . . .
 F34 F 0.31179(6) 0.21531(8) 0.14039(4) 0.0395(4) Uani 1 1 d . . . . .
 F35 F 0.24606(5) 0.30430(8) 0.14569(4) 0.0310(4) Uani 1 1 d . . . . .
 C148 C 0.19445(8) 0.39887(12) 0.17696(6) 0.0193(5) Uani 1 1 d . . . . .
 C149 C 0.21711(8) 0.43275(12) 0.15417(7) 0.0209(6) Uani 1 1 d . . . . .
 C150 C 0.19499(9) 0.45983(13) 0.12568(7) 0.0232(6) Uani 1 1 d . . . . .
 C151 C 0.14621(9) 0.45540(12) 0.11854(7) 0.0233(6) Uani 1 1 d . . . . .
 C152 C 0.12146(8) 0.42551(12) 0.14084(7) 0.0216(6) Uani 1 1 d . . . . .
 C153 C 0.14543(8) 0.39897(12) 0.16896(6) 0.0204(5) Uani 1 1 d . . . . .
 F36 F 0.26513(5) 0.43869(7) 0.15947(4) 0.0253(3) Uani 1 1 d . . . . .
 F37 F 0.22026(6) 0.48998(8) 0.10442(4) 0.0328(4) Uani 1 1 d . . . . .
 F38 F 0.12362(5) 0.47897(8) 0.09040(4) 0.0310(4) Uani 1 1 d . . . . .
 F39 F 0.07356(5) 0.42260(8) 0.13527(4) 0.0284(4) Uani 1 1 d . . . . .
 F40 F 0.11684(5) 0.37100(8) 0.18918(4) 0.0260(3) Uani 1 1 d . . . . .
 C154 C 0.27149(11) 0.17033(16) 0.34206(8) 0.0387(8) Uani 1 1 d . . . . .
 H15E H 0.252921 0.196173 0.356303 0.046 Uiso 1 1 calc R U . . .
 H15F H 0.299190 0.151349 0.355958 0.046 Uiso 1 1 calc R U . . .
 Cl1 Cl 0.29160(3) 0.22284(4) 0.31318(2) 0.03614(18) Uani 1 1 d . . . . .
 Cl2 Cl 0.23591(3) 0.10594(4) 0.32384(2) 0.0437(2) Uani 1 1 d . . . . .
 C155 C 0.08834(11) 0.63309(15) 0.17243(8) 0.0400(8) Uani 1 1 d . . . . .
 H15G H 0.104569 0.674652 0.168040 0.048 Uiso 1 1 calc R U . . .
 H15H H 0.066296 0.642405 0.188571 0.048 Uiso 1 1 calc R U . . .
 Cl3 Cl 0.13070(3) 0.57459(4) 0.18862(2) 0.0489(2) Uani 1 1 d . . . . .
 Cl4 Cl 0.05589(3) 0.60392(4) 0.13591(2) 0.0483(2) Uani 1 1 d . . . . .
 C156 C 0.3306(2) 0.3416(3) 0.07611(17) 0.0382(5) Uani 0.5 1 d . . P B -1
 H15I H 0.363324 0.357499 0.075033 0.046 Uiso 0.5 1 calc R U P B -1
 H15J H 0.331316 0.312295 0.095319 0.046 Uiso 0.5 1 calc R U P B -1
 Cl5 Cl 0.29224(5) 0.41070(8) 0.08068(5) 0.0459(4) Uani 0.5 1 d . . P B -1
 Cl6 Cl 0.31071(8) 0.29776(11) 0.04081(5) 0.0382(5) Uani 0.5 1 d . . P B -1
 C157 C 0.1889(4) 0.1955(6) -0.0520(2) 0.0382(5) Uani 0.5 1 d . . P C -1
 H15K H 0.158129 0.218213 -0.051737 0.046 Uiso 0.5 1 calc R U P C -1
 H15L H 0.202181 0.211153 -0.071661 0.046 Uiso 0.5 1 calc R U P C -1
 Cl7 Cl 0.22669(5) 0.22263(7) -0.01815(4) 0.0384(4) Uani 0.5 1 d . . P C -1
 Cl8 Cl 0.17742(11) 0.11548(13) -0.05718(8) 0.0991(9) Uani 0.5 1 d . . P C -1
 C158 C 0.23219(13) 0.1550(2) 0.47883(10) 0.0649(12) Uani 1 1 d . . . . .
 H15A H 0.200578 0.141560 0.484167 0.078 Uiso 0.8715(14) 1 calc R U P D 1
 H15B H 0.228891 0.198824 0.468325 0.078 Uiso 0.8715(14) 1 calc R U P D 1
 H15C H 0.214929 0.125627 0.462205 0.078 Uiso 0.1285(14) 1 calc R U P D 2
 H15D H 0.207935 0.177527 0.490012 0.078 Uiso 0.1285(14) 1 calc R U P D 2
 Cl9 Cl 0.27244(4) 0.16045(7) 0.51540(3) 0.0623(3) Uani 0.8715(14) 1 d . . P D
 1
 Cl10 Cl 0.25161(4) 0.09775(7) 0.45130(3) 0.0678(4) Uani 0.8715(14) 1 d . . P D
 1
 Cl11 Cl 0.2653(3) 0.1049(5) 0.5077(2) 0.0623(3) Uani 0.1285(14) 1 d . . P D
 2
 Cl12 Cl 0.2593(2) 0.2128(5) 0.4588(2) 0.0678(4) Uani 0.1285(14) 1 d . . P D
 2
 C159 C 0.5286(4) 0.1681(5) 0.2489(3) 0.043(3) Uani 0.33 1 d . . P E -1
 H15M H 0.547703 0.207106 0.244546 0.051 Uiso 0.33 1 calc R U P E -1
 H15N H 0.546918 0.128253 0.244662 0.051 Uiso 0.33 1 calc R U P E -1
 Cl13 Cl 0.5184(2) 0.1687(3) 0.29066(13) 0.0515(14) Uani 0.33 1 d . . P E -1
 Cl14 Cl 0.4763(2) 0.1689(2) 0.22339(13) 0.0629(18) Uani 0.33 1 d . . P E -1


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 C1 C1 1.420(6) 2_655 ?
 C1 C2 1.437(4) . ?
 C1 C6 1.429(4) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.356(4) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.429(4) . ?
 C4 C5 1.432(4) . ?
 C4 C7 1.427(4) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.351(4) . ?
 C6 H6 0.9500 . ?
 C7 C8 1.431(4) . ?
 C7 C12 1.428(4) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.358(4) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.432(4) . ?
 C10 C11 1.426(4) . ?
 C10 C13 1.425(4) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.350(4) . ?
 C12 H12 0.9500 . ?
 C13 C14 1.422(4) . ?
 C13 C15 1.430(4) 2_655 ?
 C14 H14 0.9500 . ?
 C14 C15 1.360(5) . ?
 C15 H15 0.9500 . ?
 C16 H16 0.9500 . ?
 C16 C17 1.387(4) . ?
 C16 C18 1.396(4) 2_655 ?
 C17 H17 0.9500 . ?
 C17 C18 1.400(4) . ?
 C18 C19 1.485(4) . ?
 C19 C20 1.407(4) . ?
 C19 C24 1.396(4) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.383(4) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.398(4) . ?
 C22 C23 1.398(4) . ?
 C22 C25 1.486(4) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.380(4) . ?
 C24 H24 0.9500 . ?
 C25 C26 1.401(4) . ?
 C25 C30 1.401(4) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.385(4) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.398(4) . ?
 C28 C29 1.404(4) . ?
 C28 C31 1.485(4) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.380(4) . ?
 C30 H30 0.9500 . ?
 C31 C32 1.405(4) . ?
 C31 C36 1.397(4) . ?
 C32 H32 0.9500 . ?
 C32 C33 1.383(4) . ?
 C33 H33 0.9500 . ?
 C33 C34 1.406(4) . ?
 C34 C35 1.394(4) . ?
 C34 C37 1.483(4) . ?
 C35 H35 0.9500 . ?
 C35 C36 1.382(4) . ?
 C36 H36 0.9500 . ?
 C37 C38 1.392(4) . ?
 C37 C42 1.403(4) . ?
 C38 H38 0.9500 . ?
 C38 C39 1.383(4) . ?
 C39 H39 0.9500 . ?
 C39 C40 1.405(4) . ?
 C40 C41 1.400(4) . ?
 C40 C43 1.488(4) . ?
 C41 H41 0.9500 . ?
 C41 C42 1.378(4) . ?
 C42 H42 0.9500 . ?
 C43 C44 1.396(4) . ?
 C43 C45 1.395(4) . ?
 C44 H44 0.9500 . ?
 C44 C45 1.380(4) 2_655 ?
 C45 H45 0.9500 . ?
 C46 C47 1.424(11) . ?
 C46 C51 1.422(11) . ?
 C46 C73 1.414(12) . ?
 C47 H47 0.9500 . ?
 C47 C48 1.373(11) . ?
 C48 H48 0.9500 . ?
 C48 C49 1.448(11) . ?
 C49 C50 1.432(13) . ?
 C49 C52 1.451(13) . ?
 C50 H50 0.9500 . ?
 C50 C51 1.341(11) . ?
 C51 H51 0.9500 . ?
 C52 C53 1.408(12) . ?
 C52 C57 1.418(11) . ?
 C53 H53 0.9500 . ?
 C53 C54 1.372(11) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.418(12) . ?
 C55 C56 1.425(11) . ?
 C55 C58 1.445(12) . ?
 C56 H56 0.9500 . ?
 C56 C57 1.352(11) . ?
 C57 H57 0.9500 . ?
 C58 C59 1.429(11) . ?
 C58 C63 1.450(12) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.341(11) . ?
 C60 H60 0.9500 . ?
 C60 C61 1.423(12) . ?
 C61 C62 1.443(11) . ?
 C61 C64 1.436(13) . ?
 C62 H62 0.9500 . ?
 C62 C63 1.335(10) . ?
 C63 H63 0.9500 . ?
 C64 C65 1.446(12) . ?
 C64 C69 1.411(12) . ?
 C65 H65 0.9500 . ?
 C65 C66 1.352(11) . ?
 C66 H66 0.9500 . ?
 C66 C67 1.424(11) . ?
 C67 C68 1.440(11) . ?
 C67 C70 1.422(11) . ?
 C68 H68 0.9500 . ?
 C68 C69 1.344(11) . ?
 C69 H69 0.9500 . ?
 C70 C71 1.422(11) . ?
 C70 C75 1.443(11) . ?
 C71 H71 0.9500 . ?
 C71 C72 1.370(10) . ?
 C72 H72 0.9500 . ?
 C72 C73 1.429(11) . ?
 C73 C74 1.443(12) . ?
 C74 H74 0.9500 . ?
 C74 C75 1.335(11) . ?
 C75 H75 0.9500 . ?
 C76 C77 1.393(4) . ?
 C76 C81 1.404(4) . ?
 C76 C103 1.483(4) 7 ?
 C77 H77 0.9500 . ?
 C77 C78 1.383(4) . ?
 C78 H78 0.9500 . ?
 C78 C79 1.397(4) . ?
 C79 C80 1.402(4) . ?
 C79 C82 1.486(4) . ?
 C80 H80 0.9500 . ?
 C80 C81 1.384(4) . ?
 C81 H81 0.9500 . ?
 C82 C83 1.389(4) . ?
 C82 C87 1.401(4) . ?
 C83 H83 0.9500 . ?
 C83 C84 1.389(4) . ?
 C84 H84 0.9500 . ?
 C84 C85 1.396(4) . ?
 C85 C86 1.393(4) . ?
 C85 C88 1.486(4) . ?
 C86 H86 0.9500 . ?
 C86 C87 1.383(4) . ?
 C87 H87 0.9500 . ?
 C88 C89 1.402(4) . ?
 C88 C93 1.399(3) . ?
 C89 H89 0.9500 . ?
 C89 C90 1.383(4) . ?
 C90 H90 0.9500 . ?
 C90 C91 1.399(3) . ?
 C91 C92 1.404(4) . ?
 C91 C94 1.488(3) . ?
 C92 H92 0.9500 . ?
 C92 C93 1.379(4) . ?
 C93 H93 0.9500 . ?
 C94 C95 1.403(4) . ?
 C94 C99 1.400(3) . ?
 C95 H95 0.9500 . ?
 C95 C96 1.387(3) . ?
 C96 H96 0.9500 . ?
 C96 C97 1.404(4) . ?
 C97 C98 1.395(4) . ?
 C97 C100 1.482(3) . ?
 C98 H98 0.9500 . ?
 C98 C99 1.389(3) . ?
 C99 H99 0.9500 . ?
 C100 C101 1.402(4) . ?
 C100 C105 1.405(3) . ?
 C101 H101 0.9500 . ?
 C101 C102 1.382(4) . ?
 C102 H102 0.9500 . ?
 C102 C103 1.401(3) . ?
 C103 C104 1.404(3) . ?
 C104 H104 0.9500 . ?
 C104 C105 1.389(4) . ?
 C105 H105 0.9500 . ?
 B1 C106 1.662(4) . ?
 B1 C112 1.660(4) . ?
 B1 C118 1.649(4) . ?
 B1 C124 1.649(4) . ?
 C106 C107 1.395(4) . ?
 C106 C111 1.380(4) . ?
 C107 C108 1.377(4) . ?
 C107 F1 1.347(4) . ?
 C108 C109 1.364(6) . ?
 C108 F2 1.360(4) . ?
 C109 C110 1.366(5) . ?
 C109 F3 1.352(3) . ?
 C110 C111 1.391(4) . ?
 C110 F4 1.343(4) . ?
 C111 F5 1.364(3) . ?
 C112 C113 1.390(4) . ?
 C112 C117 1.391(4) . ?
 C113 C114 1.384(4) . ?
 C113 F6 1.357(3) . ?
 C114 C115 1.370(4) . ?
 C114 F7 1.344(3) . ?
 C115 C116 1.379(4) . ?
 C115 F8 1.348(3) . ?
 C116 C117 1.374(4) . ?
 C116 F9 1.339(3) . ?
 C117 F10 1.361(3) . ?
 C118 C119 1.390(4) . ?
 C118 C123 1.387(4) . ?
 C119 C120 1.377(4) . ?
 C119 F11 1.356(3) . ?
 C120 C121 1.374(4) . ?
 C120 F12 1.353(4) . ?
 C121 C122 1.366(5) . ?
 C121 F13 1.345(4) . ?
 C122 C123 1.387(4) . ?
 C122 F14 1.352(3) . ?
 C123 F15 1.363(3) . ?
 C124 C125 1.392(3) . ?
 C124 C129 1.390(3) . ?
 C125 C126 1.374(3) . ?
 C125 F16 1.357(2) . ?
 C126 C127 1.376(3) . ?
 C126 F17 1.351(3) . ?
 C127 C128 1.377(3) . ?
 C127 F18 1.336(3) . ?
 C128 C129 1.379(3) . ?
 C128 F19 1.349(3) . ?
 C129 F20 1.356(3) . ?
 B2 C130 1.664(4) . ?
 B2 C136 1.642(4) . ?
 B2 C142 1.663(4) . ?
 B2 C148 1.654(4) . ?
 C130 C131 1.383(4) . ?
 C130 C135 1.389(3) . ?
 C131 C132 1.385(4) . ?
 C131 F21 1.350(3) . ?
 C132 C133 1.377(3) . ?
 C132 F22 1.349(3) . ?
 C133 C134 1.372(4) . ?
 C133 F23 1.345(3) . ?
 C134 C135 1.376(3) . ?
 C134 F24 1.354(3) . ?
 C135 F25 1.359(3) . ?
 C136 C137 1.392(3) . ?
 C136 C141 1.393(3) . ?
 C137 C138 1.381(4) . ?
 C137 F26 1.361(3) . ?
 C138 C139 1.372(4) . ?
 C138 F27 1.351(3) . ?
 C139 C140 1.381(3) . ?
 C139 F28 1.345(3) . ?
 C140 C141 1.376(4) . ?
 C140 F29 1.345(3) . ?
 C141 F30 1.358(3) . ?
 C142 C143 1.384(4) . ?
 C142 C147 1.384(4) . ?
 C143 C144 1.388(4) . ?
 C143 F31 1.357(3) . ?
 C144 C145 1.374(4) . ?
 C144 F32 1.338(3) . ?
 C145 C146 1.369(4) . ?
 C145 F33 1.344(3) . ?
 C146 C147 1.383(4) . ?
 C146 F34 1.356(3) . ?
 C147 F35 1.356(3) . ?
 C148 C149 1.389(4) . ?
 C148 C153 1.389(3) . ?
 C149 C150 1.375(4) . ?
 C149 F36 1.358(3) . ?
 C150 C151 1.381(4) . ?
 C150 F37 1.351(3) . ?
 C151 C152 1.371(4) . ?
 C151 F38 1.341(3) . ?
 C152 C153 1.378(4) . ?
 C152 F39 1.351(3) . ?
 C153 F40 1.362(3) . ?
 C154 H15E 0.9900 . ?
 C154 H15F 0.9900 . ?
 C154 Cl1 1.751(3) . ?
 C154 Cl2 1.761(3) . ?
 C155 H15G 0.9900 . ?
 C155 H15H 0.9900 . ?
 C155 Cl3 1.760(3) . ?
 C155 Cl4 1.765(3) . ?
 C156 H15I 0.9900 . ?
 C156 H15J 0.9900 . ?
 C156 Cl5 1.802(6) . ?
 C156 Cl6 1.739(6) . ?
 C157 H15K 0.9900 . ?
 C157 H15L 0.9900 . ?
 C157 Cl7 1.739(9) . ?
 C157 Cl8 1.667(11) . ?
 C158 H15A 0.9900 . ?
 C158 H15B 0.9900 . ?
 C158 H15C 0.9900 . ?
 C158 H15D 0.9900 . ?
 C158 Cl9 1.776(4) . ?
 C158 Cl10 1.764(5) . ?
 C158 Cl11 1.745(9) . ?
 C158 Cl12 1.679(10) . ?
 C159 H15M 0.9900 . ?
 C159 H15N 0.9900 . ?
 C159 Cl13 1.784(10) . ?
 C159 Cl14 1.708(13) . ?

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
 C1 C1 C2 120.5(3) 2_655 . ?
 C1 C1 C6 121.3(3) 2_655 . ?
 C6 C1 C2 115.6(3) . . ?
 C1 C2 H2 119.9 . . ?
 C3 C2 C1 120.1(2) . . ?
 C3 C2 H2 119.9 . . ?
 C2 C3 H3 119.8 . . ?
 C2 C3 C4 120.3(2) . . ?
 C4 C3 H3 119.8 . . ?
 C3 C4 C5 115.7(3) . . ?
 C7 C4 C3 120.5(2) . . ?
 C7 C4 C5 120.5(2) . . ?
 C4 C5 H5 119.8 . . ?
 C6 C5 C4 120.3(2) . . ?
 C6 C5 H5 119.8 . . ?
 C1 C6 H6 119.8 . . ?
 C5 C6 C1 120.5(2) . . ?
 C5 C6 H6 119.8 . . ?
 C4 C7 C8 120.4(2) . . ?
 C4 C7 C12 120.3(2) . . ?
 C12 C7 C8 115.5(3) . . ?
 C7 C8 H8 119.9 . . ?
 C9 C8 C7 120.1(2) . . ?
 C9 C8 H8 119.9 . . ?
 C8 C9 H9 120.2 . . ?
 C8 C9 C10 119.6(3) . . ?
 C10 C9 H9 120.2 . . ?
 C11 C10 C9 115.7(3) . . ?
 C13 C10 C9 120.4(3) . . ?
 C13 C10 C11 120.5(3) . . ?
 C10 C11 H11 119.8 . . ?
 C12 C11 C10 120.4(3) . . ?
 C12 C11 H11 119.8 . . ?
 C7 C12 H12 120.0 . . ?
 C11 C12 C7 119.9(3) . . ?
 C11 C12 H12 120.0 . . ?
 C10 C13 C15 120.3(3) . 2_655 ?
 C14 C13 C10 120.9(3) . . ?
 C14 C13 C15 115.9(3) . 2_655 ?
 C13 C14 H14 119.6 . . ?
 C15 C14 C13 120.8(3) . . ?
 C15 C14 H14 119.6 . . ?
 C13 C15 H15 119.9 2_655 . ?
 C14 C15 C13 120.2(3) . 2_655 ?
 C14 C15 H15 119.9 . . ?
 C17 C16 H16 119.2 . . ?
 C17 C16 C18 121.6(3) . 2_655 ?
 C18 C16 H16 119.2 2_655 . ?
 C16 C17 H17 119.3 . . ?
 C16 C17 C18 121.5(3) . . ?
 C18 C17 H17 119.3 . . ?
 C16 C18 C17 116.3(3) 2_655 . ?
 C16 C18 C19 122.2(3) 2_655 . ?
 C17 C18 C19 120.8(3) . . ?
 C20 C19 C18 122.7(3) . . ?
 C24 C19 C18 120.0(2) . . ?
 C24 C19 C20 116.4(3) . . ?
 C19 C20 H20 119.4 . . ?
 C21 C20 C19 121.3(3) . . ?
 C21 C20 H20 119.4 . . ?
 C20 C21 H21 119.3 . . ?
 C20 C21 C22 121.3(3) . . ?
 C22 C21 H21 119.3 . . ?
 C21 C22 C23 116.9(3) . . ?
 C21 C22 C25 122.5(2) . . ?
 C23 C22 C25 119.1(2) . . ?
 C22 C23 H23 119.4 . . ?
 C24 C23 C22 121.2(3) . . ?
 C24 C23 H23 119.4 . . ?
 C19 C24 H24 119.1 . . ?
 C23 C24 C19 121.8(2) . . ?
 C23 C24 H24 119.1 . . ?
 C26 C25 C22 118.5(3) . . ?
 C30 C25 C22 123.1(2) . . ?
 C30 C25 C26 117.0(3) . . ?
 C25 C26 H26 119.6 . . ?
 C27 C26 C25 120.8(3) . . ?
 C27 C26 H26 119.6 . . ?
 C26 C27 H27 119.2 . . ?
 C26 C27 C28 121.6(2) . . ?
 C28 C27 H27 119.2 . . ?
 C27 C28 C29 116.5(3) . . ?
 C27 C28 C31 118.8(2) . . ?
 C29 C28 C31 122.9(2) . . ?
 C28 C29 H29 119.3 . . ?
 C30 C29 C28 121.4(3) . . ?
 C30 C29 H29 119.3 . . ?
 C25 C30 H30 119.4 . . ?
 C29 C30 C25 121.2(2) . . ?
 C29 C30 H30 119.4 . . ?
 C32 C31 C28 122.3(2) . . ?
 C36 C31 C28 119.3(2) . . ?
 C36 C31 C32 116.5(3) . . ?
 C31 C32 H32 119.5 . . ?
 C33 C32 C31 121.1(2) . . ?
 C33 C32 H32 119.5 . . ?
 C32 C33 H33 119.3 . . ?
 C32 C33 C34 121.5(2) . . ?
 C34 C33 H33 119.3 . . ?
 C33 C34 C37 122.6(2) . . ?
 C35 C34 C33 116.4(3) . . ?
 C35 C34 C37 120.2(2) . . ?
 C34 C35 H35 119.2 . . ?
 C36 C35 C34 121.6(2) . . ?
 C36 C35 H35 119.2 . . ?
 C31 C36 H36 119.3 . . ?
 C35 C36 C31 121.5(2) . . ?
 C35 C36 H36 119.3 . . ?
 C38 C37 C34 120.9(2) . . ?
 C38 C37 C42 116.6(3) . . ?
 C42 C37 C34 121.7(2) . . ?
 C37 C38 H38 119.2 . . ?
 C39 C38 C37 121.5(2) . . ?
 C39 C38 H38 119.2 . . ?
 C38 C39 H39 119.2 . . ?
 C38 C39 C40 121.5(3) . . ?
 C40 C39 H39 119.2 . . ?
 C39 C40 C43 121.1(3) . . ?
 C41 C40 C39 116.1(3) . . ?
 C41 C40 C43 121.6(2) . . ?
 C40 C41 H41 119.2 . . ?
 C42 C41 C40 121.7(2) . . ?
 C42 C41 H41 119.2 . . ?
 C37 C42 H42 119.2 . . ?
 C41 C42 C37 121.5(3) . . ?
 C41 C42 H42 119.2 . . ?
 C44 C43 C40 122.3(2) . . ?
 C45 C43 C40 120.9(3) . . ?
 C45 C43 C44 115.7(3) . . ?
 C43 C44 H44 119.2 . . ?
 C45 C44 C43 121.5(3) 2_655 . ?
 C45 C44 H44 119.2 2_655 . ?
 C43 C45 H45 119.1 . . ?
 C44 C45 C43 121.9(3) 2_655 . ?
 C44 C45 H45 119.1 2_655 . ?
 C51 C46 C47 114.9(9) . . ?
 C73 C46 C47 120.6(7) . . ?
 C73 C46 C51 120.6(9) . . ?
 C46 C47 H47 119.5 . . ?
 C48 C47 C46 121.1(8) . . ?
 C48 C47 H47 119.5 . . ?
 C47 C48 H48 121.1 . . ?
 C47 C48 C49 117.8(8) . . ?
 C49 C48 H48 121.1 . . ?
 C48 C49 C52 119.5(8) . . ?
 C50 C49 C48 116.6(9) . . ?
 C50 C49 C52 120.4(9) . . ?
 C49 C50 H50 120.2 . . ?
 C51 C50 C49 119.5(7) . . ?
 C51 C50 H50 120.2 . . ?
 C46 C51 H51 119.4 . . ?
 C50 C51 C46 121.2(7) . . ?
 C50 C51 H51 119.4 . . ?
 C53 C52 C49 119.1(8) . . ?
 C53 C52 C57 116.5(9) . . ?
 C57 C52 C49 121.0(9) . . ?
 C52 C53 H53 119.6 . . ?
 C54 C53 C52 120.8(8) . . ?
 C54 C53 H53 119.6 . . ?
 C53 C54 H54 119.9 . . ?
 C53 C54 C55 120.2(8) . . ?
 C55 C54 H54 119.9 . . ?
 C54 C55 C56 115.6(9) . . ?
 C54 C55 C58 120.0(8) . . ?
 C56 C55 C58 121.4(8) . . ?
 C55 C56 H56 119.4 . . ?
 C57 C56 C55 121.1(8) . . ?
 C57 C56 H56 119.4 . . ?
 C52 C57 H57 119.8 . . ?
 C56 C57 C52 120.4(8) . . ?
 C56 C57 H57 119.8 . . ?
 C55 C58 C63 121.4(8) . . ?
 C59 C58 C55 120.2(8) . . ?
 C59 C58 C63 115.4(8) . . ?
 C58 C59 H59 120.1 . . ?
 C60 C59 C58 119.8(8) . . ?
 C60 C59 H59 120.1 . . ?
 C59 C60 H60 119.9 . . ?
 C59 C60 C61 120.3(8) . . ?
 C61 C60 H60 119.9 . . ?
 C60 C61 C62 116.1(9) . . ?
 C60 C61 C64 121.2(8) . . ?
 C64 C61 C62 119.0(9) . . ?
 C61 C62 H62 120.5 . . ?
 C63 C62 C61 119.1(7) . . ?
 C63 C62 H62 120.5 . . ?
 C58 C63 H63 119.8 . . ?
 C62 C63 C58 120.3(7) . . ?
 C62 C63 H63 119.8 . . ?
 C61 C64 C65 117.5(8) . . ?
 C69 C64 C61 123.9(9) . . ?
 C69 C64 C65 115.3(9) . . ?
 C64 C65 H65 119.9 . . ?
 C66 C65 C64 120.1(8) . . ?
 C66 C65 H65 119.9 . . ?
 C65 C66 H66 119.9 . . ?
 C65 C66 C67 120.2(8) . . ?
 C67 C66 H66 119.9 . . ?
 C66 C67 C68 115.5(8) . . ?
 C70 C67 C66 121.1(7) . . ?
 C70 C67 C68 121.2(8) . . ?
 C67 C68 H68 119.8 . . ?
 C69 C68 C67 120.4(7) . . ?
 C69 C68 H68 119.8 . . ?
 C64 C69 H69 119.7 . . ?
 C68 C69 C64 120.7(8) . . ?
 C68 C69 H69 119.7 . . ?
 C67 C70 C71 120.9(7) . . ?
 C67 C70 C75 121.7(8) . . ?
 C71 C70 C75 114.5(8) . . ?
 C70 C71 H71 119.2 . . ?
 C72 C71 C70 121.6(7) . . ?
 C72 C71 H71 119.2 . . ?
 C71 C72 H72 120.0 . . ?
 C71 C72 C73 120.0(8) . . ?
 C73 C72 H72 120.0 . . ?
 C46 C73 C72 119.9(8) . . ?
 C46 C73 C74 121.2(9) . . ?
 C72 C73 C74 114.8(8) . . ?
 C73 C74 H74 119.3 . . ?
 C75 C74 C73 121.3(7) . . ?
 C75 C74 H74 119.3 . . ?
 C70 C75 H75 119.5 . . ?
 C74 C75 C70 121.1(7) . . ?
 C74 C75 H75 119.5 . . ?
 C77 C76 C81 117.0(2) . . ?
 C77 C76 C103 119.9(2) . 7 ?
 C81 C76 C103 121.9(2) . 7 ?
 C76 C77 H77 119.6 . . ?
 C78 C77 C76 120.8(2) . . ?
 C78 C77 H77 119.6 . . ?
 C77 C78 H78 119.1 . . ?
 C77 C78 C79 121.9(3) . . ?
 C79 C78 H78 119.1 . . ?
 C78 C79 C80 116.5(2) . . ?
 C78 C79 C82 120.1(2) . . ?
 C80 C79 C82 121.8(2) . . ?
 C79 C80 H80 119.5 . . ?
 C81 C80 C79 120.9(2) . . ?
 C81 C80 H80 119.5 . . ?
 C76 C81 H81 119.4 . . ?
 C80 C81 C76 121.3(3) . . ?
 C80 C81 H81 119.4 . . ?
 C83 C82 C79 123.1(2) . . ?
 C83 C82 C87 116.4(2) . . ?
 C87 C82 C79 118.9(2) . . ?
 C82 C83 H83 119.2 . . ?
 C82 C83 C84 121.5(2) . . ?
 C84 C83 H83 119.2 . . ?
 C83 C84 H84 119.4 . . ?
 C83 C84 C85 121.3(3) . . ?
 C85 C84 H84 119.4 . . ?
 C84 C85 C88 123.1(2) . . ?
 C86 C85 C84 116.4(2) . . ?
 C86 C85 C88 119.5(2) . . ?
 C85 C86 H86 119.2 . . ?
 C87 C86 C85 121.6(2) . . ?
 C87 C86 H86 119.2 . . ?
 C82 C87 H87 119.4 . . ?
 C86 C87 C82 121.2(3) . . ?
 C86 C87 H87 119.4 . . ?
 C89 C88 C85 121.2(2) . . ?
 C93 C88 C85 121.6(2) . . ?
 C93 C88 C89 116.6(2) . . ?
 C88 C89 H89 119.4 . . ?
 C90 C89 C88 121.1(2) . . ?
 C90 C89 H89 119.4 . . ?
 C89 C90 H90 119.1 . . ?
 C89 C90 C91 121.7(2) . . ?
 C91 C90 H90 119.1 . . ?
 C90 C91 C92 116.5(2) . . ?
 C90 C91 C94 121.2(2) . . ?
 C92 C91 C94 121.3(2) . . ?
 C91 C92 H92 119.4 . . ?
 C93 C92 C91 121.1(2) . . ?
 C93 C92 H92 119.4 . . ?
 C88 C93 H93 119.1 . . ?
 C92 C93 C88 121.8(2) . . ?
 C92 C93 H93 119.1 . . ?
 C95 C94 C91 122.2(2) . . ?
 C99 C94 C91 119.9(2) . . ?
 C99 C94 C95 117.0(2) . . ?
 C94 C95 H95 119.4 . . ?
 C96 C95 C94 121.1(2) . . ?
 C96 C95 H95 119.4 . . ?
 C95 C96 H96 119.4 . . ?
 C95 C96 C97 121.2(2) . . ?
 C97 C96 H96 119.4 . . ?
 C96 C97 C100 122.6(2) . . ?
 C98 C97 C96 117.1(2) . . ?
 C98 C97 C100 119.1(2) . . ?
 C97 C98 H98 119.4 . . ?
 C99 C98 C97 121.2(2) . . ?
 C99 C98 H98 119.4 . . ?
 C94 C99 H99 119.4 . . ?
 C98 C99 C94 121.3(2) . . ?
 C98 C99 H99 119.4 . . ?
 C101 C100 C97 118.9(2) . . ?
 C101 C100 C105 116.9(2) . . ?
 C105 C100 C97 123.0(2) . . ?
 C100 C101 H101 119.2 . . ?
 C102 C101 C100 121.5(2) . . ?
 C102 C101 H101 119.2 . . ?
 C101 C102 H102 119.3 . . ?
 C101 C102 C103 121.4(2) . . ?
 C103 C102 H102 119.3 . . ?
 C102 C103 C76 119.1(2) . 7 ?
 C102 C103 C104 116.7(2) . . ?
 C104 C103 C76 123.1(2) . 7 ?
 C103 C104 H104 119.3 . . ?
 C105 C104 C103 121.5(2) . . ?
 C105 C104 H104 119.3 . . ?
 C100 C105 H105 119.5 . . ?
 C104 C105 C100 121.0(2) . . ?
 C104 C105 H105 119.5 . . ?
 C112 B1 C106 99.9(2) . . ?
 C118 B1 C106 113.9(2) . . ?
 C118 B1 C112 113.6(2) . . ?
 C124 B1 C106 112.8(2) . . ?
 C124 B1 C112 113.9(2) . . ?
 C124 B1 C118 103.3(2) . . ?
 C107 C106 B1 120.1(3) . . ?
 C111 C106 B1 126.1(2) . . ?
 C111 C106 C107 113.0(3) . . ?
 C108 C107 C106 123.7(4) . . ?
 F1 C107 C106 120.1(3) . . ?
 F1 C107 C108 116.2(3) . . ?
 C109 C108 C107 120.7(3) . . ?
 F2 C108 C107 119.7(4) . . ?
 F2 C108 C109 119.6(3) . . ?
 C108 C109 C110 118.5(3) . . ?
 F3 C109 C108 120.5(3) . . ?
 F3 C109 C110 121.0(4) . . ?
 C109 C110 C111 119.5(4) . . ?
 F4 C110 C109 120.4(3) . . ?
 F4 C110 C111 120.1(3) . . ?
 C106 C111 C110 124.6(3) . . ?
 F5 C111 C106 121.3(2) . . ?
 F5 C111 C110 114.1(3) . . ?
 C113 C112 B1 126.9(2) . . ?
 C113 C112 C117 112.4(2) . . ?
 C117 C112 B1 120.1(2) . . ?
 C114 C113 C112 124.2(3) . . ?
 F6 C113 C112 120.6(2) . . ?
 F6 C113 C114 115.3(2) . . ?
 C115 C114 C113 119.9(3) . . ?
 F7 C114 C113 120.4(3) . . ?
 F7 C114 C115 119.7(3) . . ?
 C114 C115 C116 119.1(3) . . ?
 F8 C115 C114 121.0(3) . . ?
 F8 C115 C116 119.9(3) . . ?
 C117 C116 C115 118.5(3) . . ?
 F9 C116 C115 120.2(2) . . ?
 F9 C116 C117 121.2(3) . . ?
 C116 C117 C112 125.8(3) . . ?
 F10 C117 C112 119.6(2) . . ?
 F10 C117 C116 114.6(2) . . ?
 C119 C118 B1 120.1(2) . . ?
 C123 C118 B1 127.6(3) . . ?
 C123 C118 C119 112.2(3) . . ?
 C120 C119 C118 125.0(3) . . ?
 F11 C119 C118 119.4(2) . . ?
 F11 C119 C120 115.6(3) . . ?
 C121 C120 C119 119.7(3) . . ?
 F12 C120 C119 120.7(3) . . ?
 F12 C120 C121 119.6(3) . . ?
 C122 C121 C120 118.5(3) . . ?
 F13 C121 C120 121.0(3) . . ?
 F13 C121 C122 120.5(3) . . ?
 C121 C122 C123 119.7(3) . . ?
 F14 C122 C121 120.3(3) . . ?
 F14 C122 C123 119.9(3) . . ?
 C118 C123 C122 124.8(3) . . ?
 F15 C123 C118 120.5(3) . . ?
 F15 C123 C122 114.8(2) . . ?
 C125 C124 B1 119.9(2) . . ?
 C129 C124 B1 126.9(2) . . ?
 C129 C124 C125 113.0(2) . . ?
 C126 C125 C124 124.8(2) . . ?
 F16 C125 C124 119.4(2) . . ?
 F16 C125 C126 115.8(2) . . ?
 C125 C126 C127 119.5(2) . . ?
 F17 C126 C125 120.9(2) . . ?
 F17 C126 C127 119.5(2) . . ?
 C126 C127 C128 118.5(2) . . ?
 F18 C127 C126 120.6(2) . . ?
 F18 C127 C128 120.8(2) . . ?
 C127 C128 C129 120.1(2) . . ?
 F19 C128 C127 119.7(2) . . ?
 F19 C128 C129 120.1(2) . . ?
 C128 C129 C124 124.0(2) . . ?
 F20 C129 C124 121.0(2) . . ?
 F20 C129 C128 115.0(2) . . ?
 C136 B2 C130 113.9(2) . . ?
 C136 B2 C142 114.55(19) . . ?
 C136 B2 C148 102.2(2) . . ?
 C142 B2 C130 99.85(19) . . ?
 C148 B2 C130 113.63(19) . . ?
 C148 B2 C142 113.3(2) . . ?
 C131 C130 B2 127.5(2) . . ?
 C131 C130 C135 112.7(2) . . ?
 C135 C130 B2 119.3(2) . . ?
 C130 C131 C132 123.8(2) . . ?
 F21 C131 C130 121.0(2) . . ?
 F21 C131 C132 115.2(2) . . ?
 C133 C132 C131 120.4(2) . . ?
 F22 C132 C131 120.3(2) . . ?
 F22 C132 C133 119.3(2) . . ?
 C134 C133 C132 118.4(2) . . ?
 F23 C133 C132 120.8(2) . . ?
 F23 C133 C134 120.8(2) . . ?
 C133 C134 C135 119.0(2) . . ?
 F24 C134 C133 120.1(2) . . ?
 F24 C134 C135 121.0(2) . . ?
 C134 C135 C130 125.7(2) . . ?
 F25 C135 C130 118.8(2) . . ?
 F25 C135 C134 115.5(2) . . ?
 C137 C136 B2 127.2(2) . . ?
 C137 C136 C141 112.9(2) . . ?
 C141 C136 B2 119.6(2) . . ?
 C138 C137 C136 124.1(2) . . ?
 F26 C137 C136 120.8(2) . . ?
 F26 C137 C138 115.1(2) . . ?
 C139 C138 C137 120.0(2) . . ?
 F27 C138 C137 120.1(2) . . ?
 F27 C138 C139 120.0(2) . . ?
 C138 C139 C140 118.9(2) . . ?
 F28 C139 C138 121.0(2) . . ?
 F28 C139 C140 120.1(2) . . ?
 C141 C140 C139 119.1(2) . . ?
 F29 C140 C139 119.7(2) . . ?
 F29 C140 C141 121.2(2) . . ?
 C140 C141 C136 125.1(2) . . ?
 F30 C141 C136 118.7(2) . . ?
 F30 C141 C140 116.2(2) . . ?
 C143 C142 B2 119.3(2) . . ?
 C143 C142 C147 113.1(2) . . ?
 C147 C142 B2 126.9(2) . . ?
 C142 C143 C144 125.2(3) . . ?
 F31 C143 C142 119.1(2) . . ?
 F31 C143 C144 115.7(2) . . ?
 C145 C144 C143 118.7(3) . . ?
 F32 C144 C143 121.0(3) . . ?
 F32 C144 C145 120.3(2) . . ?
 C146 C145 C144 118.8(2) . . ?
 F33 C145 C144 120.8(3) . . ?
 F33 C145 C146 120.5(3) . . ?
 C145 C146 C147 120.4(3) . . ?
 F34 C146 C145 119.6(2) . . ?
 F34 C146 C147 120.0(3) . . ?
 C146 C147 C142 123.8(3) . . ?
 F35 C147 C142 121.5(2) . . ?
 F35 C147 C146 114.7(2) . . ?
 C149 C148 B2 120.6(2) . . ?
 C153 C148 B2 127.1(2) . . ?
 C153 C148 C149 112.1(2) . . ?
 C150 C149 C148 125.3(2) . . ?
 F36 C149 C148 118.6(2) . . ?
 F36 C149 C150 116.1(2) . . ?
 C149 C150 C151 119.4(2) . . ?
 F37 C150 C149 121.0(2) . . ?
 F37 C150 C151 119.6(2) . . ?
 C152 C151 C150 118.2(2) . . ?
 F38 C151 C150 121.1(2) . . ?
 F38 C151 C152 120.7(2) . . ?
 C151 C152 C153 120.0(2) . . ?
 F39 C152 C151 119.8(2) . . ?
 F39 C152 C153 120.2(2) . . ?
 C152 C153 C148 124.9(2) . . ?
 F40 C153 C148 120.8(2) . . ?
 F40 C153 C152 114.3(2) . . ?
 H15E C154 H15F 107.9 . . ?
 Cl1 C154 H15E 109.1 . . ?
 Cl1 C154 H15F 109.1 . . ?
 Cl1 C154 Cl2 112.40(18) . . ?
 Cl2 C154 H15E 109.1 . . ?
 Cl2 C154 H15F 109.1 . . ?
 H15G C155 H15H 108.1 . . ?
 Cl3 C155 H15G 109.5 . . ?
 Cl3 C155 H15H 109.5 . . ?
 Cl3 C155 Cl4 110.71(17) . . ?
 Cl4 C155 H15G 109.5 . . ?
 Cl4 C155 H15H 109.5 . . ?
 H15I C156 H15J 108.1 . . ?
 Cl5 C156 H15I 109.5 . . ?
 Cl5 C156 H15J 109.5 . . ?
 Cl6 C156 H15I 109.5 . . ?
 Cl6 C156 H15J 109.5 . . ?
 Cl6 C156 Cl5 110.6(4) . . ?
 H15K C157 H15L 106.9 . . ?
 Cl7 C157 H15K 107.3 . . ?
 Cl7 C157 H15L 107.3 . . ?
 Cl8 C157 H15K 107.3 . . ?
 Cl8 C157 H15L 107.3 . . ?
 Cl8 C157 Cl7 120.2(7) . . ?
 H15A C158 H15B 107.9 . . ?
 H15C C158 H15D 106.9 . . ?
 Cl9 C158 H15A 109.3 . . ?
 Cl9 C158 H15B 109.3 . . ?
 Cl10 C158 H15A 109.3 . . ?
 Cl10 C158 H15B 109.3 . . ?
 Cl10 C158 Cl9 111.7(2) . . ?
 Cl11 C158 H15C 107.3 . . ?
 Cl11 C158 H15D 107.3 . . ?
 Cl12 C158 H15C 107.3 . . ?
 Cl12 C158 H15D 107.3 . . ?
 Cl12 C158 Cl11 120.2(4) . . ?
 H15M C159 H15N 108.0 . . ?
 Cl13 C159 H15M 109.4 . . ?
 Cl13 C159 H15N 109.4 . . ?
 Cl14 C159 H15M 109.4 . . ?
 Cl14 C159 H15N 109.4 . . ?
 Cl14 C159 Cl13 111.1(7) . . ?

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_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 C1 C1 C2 C3 -140.3(2) 2_655 . . . ?
 C1 C1 C6 C5 139.8(2) 2_655 . . . ?
 C1 C2 C3 C4 0.4(4) . . . . ?
 C2 C1 C6 C5 -21.6(4) . . . . ?
 C2 C3 C4 C5 -21.8(4) . . . . ?
 C2 C3 C4 C7 137.7(3) . . . . ?
 C3 C4 C5 C6 21.6(4) . . . . ?
 C3 C4 C7 C8 0.5(4) . . . . ?
 C3 C4 C7 C12 -156.9(3) . . . . ?
 C4 C5 C6 C1 0.2(4) . . . . ?
 C4 C7 C8 C9 -135.0(3) . . . . ?
 C4 C7 C12 C11 134.7(3) . . . . ?
 C5 C4 C7 C8 159.0(3) . . . . ?
 C5 C4 C7 C12 1.7(4) . . . . ?
 C6 C1 C2 C3 21.3(4) . . . . ?
 C7 C4 C5 C6 -138.0(3) . . . . ?
 C7 C8 C9 C10 0.0(4) . . . . ?
 C8 C7 C12 C11 -23.7(4) . . . . ?
 C8 C9 C10 C11 -23.3(4) . . . . ?
 C8 C9 C10 C13 135.9(3) . . . . ?
 C9 C10 C11 C12 23.2(4) . . . . ?
 C9 C10 C13 C14 0.0(4) . . . . ?
 C9 C10 C13 C15 -160.0(3) . . . 2_655 ?
 C10 C11 C12 C7 0.4(4) . . . . ?
 C10 C13 C14 C15 -141.3(3) . . . . ?
 C11 C10 C13 C14 158.3(3) . . . . ?
 C11 C10 C13 C15 -1.8(4) . . . 2_655 ?
 C12 C7 C8 C9 23.4(4) . . . . ?
 C13 C10 C11 C12 -136.0(3) . . . . ?
 C13 C14 C15 C13 0.0(4) . . . 2_655 ?
 C15 C13 C14 C15 19.6(4) 2_655 . . . ?
 C16 C17 C18 C16 7.5(4) . . . 2_655 ?
 C16 C17 C18 C19 -163.0(3) . . . . ?
 C16 C18 C19 C20 175.9(3) 2_655 . . . ?
 C16 C18 C19 C24 -15.7(4) 2_655 . . . ?
 C17 C18 C19 C20 -14.1(4) . . . . ?
 C17 C18 C19 C24 154.2(3) . . . . ?
 C18 C16 C17 C18 1.8(4) 2_655 . . . ?
 C18 C19 C20 C21 160.3(3) . . . . ?
 C18 C19 C24 C23 -161.1(2) . . . . ?
 C19 C20 C21 C22 0.2(4) . . . . ?
 C20 C19 C24 C23 7.9(4) . . . . ?
 C20 C21 C22 C23 8.5(4) . . . . ?
 C20 C21 C22 C25 -157.5(3) . . . . ?
 C21 C22 C23 C24 -9.1(4) . . . . ?
 C21 C22 C25 C26 28.2(4) . . . . ?
 C21 C22 C25 C30 -165.8(3) . . . . ?
 C22 C23 C24 C19 0.8(4) . . . . ?
 C22 C25 C26 C27 157.0(3) . . . . ?
 C22 C25 C30 C29 -156.9(3) . . . . ?
 C23 C22 C25 C26 -137.5(3) . . . . ?
 C23 C22 C25 C30 28.5(4) . . . . ?
 C24 C19 C20 C21 -8.4(4) . . . . ?
 C25 C22 C23 C24 157.5(3) . . . . ?
 C25 C26 C27 C28 0.6(4) . . . . ?
 C26 C25 C30 C29 9.3(4) . . . . ?
 C26 C27 C28 C29 9.2(4) . . . . ?
 C26 C27 C28 C31 -156.1(3) . . . . ?
 C27 C28 C29 C30 -9.8(4) . . . . ?
 C27 C28 C31 C32 -25.8(4) . . . . ?
 C27 C28 C31 C36 138.5(3) . . . . ?
 C28 C29 C30 C25 0.6(4) . . . . ?
 C28 C31 C32 C33 155.1(3) . . . . ?
 C28 C31 C36 C35 -155.4(3) . . . . ?
 C29 C28 C31 C32 169.9(3) . . . . ?
 C29 C28 C31 C36 -25.8(4) . . . . ?
 C30 C25 C26 C27 -9.9(4) . . . . ?
 C31 C28 C29 C30 154.8(3) . . . . ?
 C31 C32 C33 C34 -0.3(4) . . . . ?
 C32 C31 C36 C35 9.7(4) . . . . ?
 C32 C33 C34 C35 10.0(4) . . . . ?
 C32 C33 C34 C37 -159.5(3) . . . . ?
 C33 C34 C35 C36 -9.8(4) . . . . ?
 C33 C34 C37 C38 18.0(4) . . . . ?
 C33 C34 C37 C42 -171.9(3) . . . . ?
 C34 C35 C36 C31 0.0(4) . . . . ?
 C34 C37 C38 C39 162.8(2) . . . . ?
 C34 C37 C42 C41 -162.7(2) . . . . ?
 C35 C34 C37 C38 -151.1(3) . . . . ?
 C35 C34 C37 C42 18.9(4) . . . . ?
 C36 C31 C32 C33 -9.5(4) . . . . ?
 C37 C34 C35 C36 159.9(3) . . . . ?
 C37 C38 C39 C40 -0.4(4) . . . . ?
 C38 C37 C42 C41 7.7(4) . . . . ?
 C38 C39 C40 C41 8.4(4) . . . . ?
 C38 C39 C40 C43 -159.3(2) . . . . ?
 C39 C40 C41 C42 -8.4(4) . . . . ?
 C39 C40 C43 C44 -7.9(4) . . . . ?
 C39 C40 C43 C45 159.9(3) . . . . ?
 C40 C41 C42 C37 0.4(4) . . . . ?
 C40 C43 C44 C45 156.7(3) . . . 2_655 ?
 C40 C43 C45 C44 -159.6(3) . . . 2_655 ?
 C41 C40 C43 C44 -175.0(3) . . . . ?
 C41 C40 C43 C45 -7.2(4) . . . . ?
 C42 C37 C38 C39 -7.7(4) . . . . ?
 C43 C40 C41 C42 159.2(3) . . . . ?
 C44 C43 C45 C44 9.0(4) . . . 2_655 ?
 C45 C43 C44 C45 -11.7(4) . . . 2_655 ?
 C46 C47 C48 C49 1.6(10) . . . . ?
 C46 C73 C74 C75 136.9(8) . . . . ?
 C47 C46 C51 C50 25.4(9) . . . . ?
 C47 C46 C73 C72 -5.2(11) . . . . ?
 C47 C46 C73 C74 -161.6(6) . . . . ?
 C47 C48 C49 C50 22.0(9) . . . . ?
 C47 C48 C49 C52 -137.1(7) . . . . ?
 C48 C49 C50 C51 -22.0(10) . . . . ?
 C48 C49 C52 C53 8.6(11) . . . . ?
 C48 C49 C52 C57 167.2(7) . . . . ?
 C49 C50 C51 C46 -2.1(10) . . . . ?
 C49 C52 C53 C54 142.4(8) . . . . ?
 C49 C52 C57 C56 -141.9(8) . . . . ?
 C50 C49 C52 C53 -149.8(8) . . . . ?
 C50 C49 C52 C57 8.9(11) . . . . ?
 C51 C46 C47 C48 -24.9(9) . . . . ?
 C51 C46 C73 C72 151.5(7) . . . . ?
 C51 C46 C73 C74 -5.0(10) . . . . ?
 C52 C49 C50 C51 136.9(8) . . . . ?
 C52 C53 C54 C55 -1.4(11) . . . . ?
 C53 C52 C57 C56 17.3(10) . . . . ?
 C53 C54 C55 C56 19.6(10) . . . . ?
 C53 C54 C55 C58 -141.0(8) . . . . ?
 C54 C55 C56 C57 -19.6(10) . . . . ?
 C54 C55 C58 C59 -6.4(11) . . . . ?
 C54 C55 C58 C63 152.9(7) . . . . ?
 C55 C56 C57 C52 1.2(11) . . . . ?
 C55 C58 C59 C60 137.4(8) . . . . ?
 C55 C58 C63 C62 -136.4(8) . . . . ?
 C56 C55 C58 C59 -165.7(7) . . . . ?
 C56 C55 C58 C63 -6.5(11) . . . . ?
 C57 C52 C53 C54 -17.2(11) . . . . ?
 C58 C55 C56 C57 140.6(8) . . . . ?
 C58 C59 C60 C61 -1.0(11) . . . . ?
 C59 C58 C63 C62 23.9(9) . . . . ?
 C59 C60 C61 C62 24.8(10) . . . . ?
 C59 C60 C61 C64 -133.2(8) . . . . ?
 C60 C61 C62 C63 -23.9(9) . . . . ?
 C60 C61 C64 C65 1.8(10) . . . . ?
 C60 C61 C64 C69 160.2(7) . . . . ?
 C61 C62 C63 C58 -0.4(10) . . . . ?
 C61 C64 C65 C66 137.0(7) . . . . ?
 C61 C64 C69 C68 -135.4(9) . . . . ?
 C62 C61 C64 C65 -155.5(7) . . . . ?
 C62 C61 C64 C69 2.9(12) . . . . ?
 C63 C58 C59 C60 -23.1(10) . . . . ?
 C64 C61 C62 C63 134.6(8) . . . . ?
 C64 C65 C66 C67 0.8(10) . . . . ?
 C65 C64 C69 C68 23.4(10) . . . . ?
 C65 C66 C67 C68 21.3(9) . . . . ?
 C65 C66 C67 C70 -142.0(7) . . . . ?
 C66 C67 C68 C69 -21.2(10) . . . . ?
 C66 C67 C70 C71 1.6(11) . . . . ?
 C66 C67 C70 C75 161.2(7) . . . . ?
 C67 C68 C69 C64 -1.4(11) . . . . ?
 C67 C70 C71 C72 140.6(7) . . . . ?
 C67 C70 C75 C74 -140.5(8) . . . . ?
 C68 C67 C70 C71 -160.7(7) . . . . ?
 C68 C67 C70 C75 -1.1(11) . . . . ?
 C69 C64 C65 C66 -23.2(10) . . . . ?
 C70 C67 C68 C69 142.0(8) . . . . ?
 C70 C71 C72 C73 0.0(10) . . . . ?
 C71 C70 C75 C74 20.3(10) . . . . ?
 C71 C72 C73 C46 -137.4(7) . . . . ?
 C71 C72 C73 C74 20.4(9) . . . . ?
 C72 C73 C74 C75 -20.6(10) . . . . ?
 C73 C46 C47 C48 133.0(8) . . . . ?
 C73 C46 C51 C50 -132.6(8) . . . . ?
 C73 C74 C75 C70 0.1(11) . . . . ?
 C75 C70 C71 C72 -20.3(9) . . . . ?
 C76 C77 C78 C79 0.8(4) . . . . ?
 C76 C103 C104 C105 159.5(2) 7 . . . ?
 C77 C76 C81 C80 9.0(3) . . . . ?
 C77 C78 C79 C80 9.8(3) . . . . ?
 C77 C78 C79 C82 -156.0(2) . . . . ?
 C78 C79 C80 C81 -10.9(3) . . . . ?
 C78 C79 C82 C83 -19.0(3) . . . . ?
 C78 C79 C82 C87 146.3(2) . . . . ?
 C79 C80 C81 C76 1.6(4) . . . . ?
 C79 C82 C83 C84 155.4(2) . . . . ?
 C79 C82 C87 C86 -156.3(2) . . . . ?
 C80 C79 C82 C83 175.9(2) . . . . ?
 C80 C79 C82 C87 -18.8(3) . . . . ?
 C81 C76 C77 C78 -10.2(3) . . . . ?
 C82 C79 C80 C81 154.7(2) . . . . ?
 C82 C83 C84 C85 0.5(4) . . . . ?
 C83 C82 C87 C86 10.0(4) . . . . ?
 C83 C84 C85 C86 9.6(4) . . . . ?
 C83 C84 C85 C88 -158.6(2) . . . . ?
 C84 C85 C86 C87 -9.9(4) . . . . ?
 C84 C85 C88 C89 11.0(4) . . . . ?
 C84 C85 C88 C93 -179.0(2) . . . . ?
 C85 C86 C87 C82 0.1(4) . . . . ?
 C85 C88 C89 C90 162.3(2) . . . . ?
 C85 C88 C93 C92 -161.9(2) . . . . ?
 C86 C85 C88 C89 -156.9(2) . . . . ?
 C86 C85 C88 C93 13.1(4) . . . . ?
 C87 C82 C83 C84 -10.3(4) . . . . ?
 C88 C85 C86 C87 158.8(2) . . . . ?
 C88 C89 C90 C91 -0.7(4) . . . . ?
 C89 C88 C93 C92 8.5(4) . . . . ?
 C89 C90 C91 C92 9.2(4) . . . . ?
 C89 C90 C91 C94 -159.5(2) . . . . ?
 C90 C91 C92 C93 -8.9(4) . . . . ?
 C90 C91 C94 C95 -17.1(4) . . . . ?
 C90 C91 C94 C99 151.5(2) . . . . ?
 C91 C92 C93 C88 0.1(4) . . . . ?
 C91 C94 C95 C96 160.2(2) . . . . ?
 C91 C94 C99 C98 -161.2(2) . . . . ?
 C92 C91 C94 C95 174.8(2) . . . . ?
 C92 C91 C94 C99 -16.6(4) . . . . ?
 C93 C88 C89 C90 -8.2(4) . . . . ?
 C94 C91 C92 C93 159.8(2) . . . . ?
 C94 C95 C96 C97 0.7(4) . . . . ?
 C95 C94 C99 C98 8.0(4) . . . . ?
 C95 C96 C97 C98 8.0(4) . . . . ?
 C95 C96 C97 C100 -159.4(2) . . . . ?
 C96 C97 C98 C99 -8.7(4) . . . . ?
 C96 C97 C100 C101 30.9(4) . . . . ?
 C96 C97 C100 C105 -162.1(2) . . . . ?
 C97 C98 C99 C94 0.7(4) . . . . ?
 C97 C100 C101 C102 160.1(2) . . . . ?
 C97 C100 C105 C104 -158.7(2) . . . . ?
 C98 C97 C100 C101 -136.3(2) . . . . ?
 C98 C97 C100 C105 30.7(4) . . . . ?
 C99 C94 C95 C96 -8.7(4) . . . . ?
 C100 C97 C98 C99 159.2(2) . . . . ?
 C100 C101 C102 C103 -1.2(4) . . . . ?
 C101 C100 C105 C104 8.5(4) . . . . ?
 C101 C102 C103 C76 -159.1(2) . . . 7 ?
 C101 C102 C103 C104 9.1(3) . . . . ?
 C102 C103 C104 C105 -8.2(4) . . . . ?
 C103 C76 C77 C78 157.4(2) 7 . . . ?
 C103 C76 C81 C80 -158.3(2) 7 . . . ?
 C103 C104 C105 C100 -0.6(4) . . . . ?
 C105 C100 C101 C102 -7.7(4) . . . . ?
 B1 C106 C107 C108 171.8(3) . . . . ?
 B1 C106 C107 F1 -7.0(4) . . . . ?
 B1 C106 C111 C110 -169.0(3) . . . . ?
 B1 C106 C111 F5 11.0(4) . . . . ?
 B1 C112 C113 C114 -172.0(2) . . . . ?
 B1 C112 C113 F6 7.1(4) . . . . ?
 B1 C112 C117 C116 173.9(2) . . . . ?
 B1 C112 C117 F10 -6.5(3) . . . . ?
 B1 C118 C119 C120 -179.4(3) . . . . ?
 B1 C118 C119 F11 0.5(4) . . . . ?
 B1 C118 C123 C122 177.8(3) . . . . ?
 B1 C118 C123 F15 -1.8(4) . . . . ?
 B1 C124 C125 C126 -179.4(2) . . . . ?
 B1 C124 C125 F16 0.7(3) . . . . ?
 B1 C124 C129 C128 178.3(3) . . . . ?
 B1 C124 C129 F20 -2.1(4) . . . . ?
 C106 B1 C112 C113 98.0(3) . . . . ?
 C106 B1 C112 C117 -73.4(3) . . . . ?
 C106 B1 C118 C119 -160.8(2) . . . . ?
 C106 B1 C118 C123 23.8(4) . . . . ?
 C106 B1 C124 C125 -49.3(3) . . . . ?
 C106 B1 C124 C129 135.5(3) . . . . ?
 C106 C107 C108 C109 -2.2(5) . . . . ?
 C106 C107 C108 F2 178.9(3) . . . . ?
 C107 C106 C111 C110 1.2(4) . . . . ?
 C107 C106 C111 F5 -178.8(2) . . . . ?
 C107 C108 C109 C110 1.4(5) . . . . ?
 C107 C108 C109 F3 -178.7(3) . . . . ?
 C108 C109 C110 C111 0.6(5) . . . . ?
 C108 C109 C110 F4 -179.8(3) . . . . ?
 C109 C110 C111 C106 -2.0(4) . . . . ?
 C109 C110 C111 F5 178.0(3) . . . . ?
 C111 C106 C107 C108 0.9(4) . . . . ?
 C111 C106 C107 F1 -177.9(2) . . . . ?
 F1 C107 C108 C109 176.6(3) . . . . ?
 F1 C107 C108 F2 -2.3(4) . . . . ?
 F2 C108 C109 C110 -179.7(3) . . . . ?
 F2 C108 C109 F3 0.2(5) . . . . ?
 F3 C109 C110 C111 -179.3(3) . . . . ?
 F3 C109 C110 F4 0.2(5) . . . . ?
 F4 C110 C111 C106 178.4(3) . . . . ?
 F4 C110 C111 F5 -1.6(4) . . . . ?
 C112 B1 C106 C107 -76.9(3) . . . . ?
 C112 B1 C106 C111 92.7(3) . . . . ?
 C112 B1 C118 C119 -47.4(3) . . . . ?
 C112 B1 C118 C123 137.2(3) . . . . ?
 C112 B1 C124 C125 -162.2(2) . . . . ?
 C112 B1 C124 C129 22.6(4) . . . . ?
 C112 C113 C114 C115 -0.1(4) . . . . ?
 C112 C113 C114 F7 179.6(2) . . . . ?
 C113 C112 C117 C116 1.3(4) . . . . ?
 C113 C112 C117 F10 -179.0(2) . . . . ?
 C113 C114 C115 C116 -1.0(4) . . . . ?
 C113 C114 C115 F8 179.2(2) . . . . ?
 C114 C115 C116 C117 2.1(4) . . . . ?
 C114 C115 C116 F9 -177.6(2) . . . . ?
 C115 C116 C117 C112 -2.4(4) . . . . ?
 C115 C116 C117 F10 177.9(2) . . . . ?
 C117 C112 C113 C114 0.0(4) . . . . ?
 C117 C112 C113 F6 179.1(2) . . . . ?
 F6 C113 C114 C115 -179.2(2) . . . . ?
 F6 C113 C114 F7 0.5(3) . . . . ?
 F7 C114 C115 C116 179.3(2) . . . . ?
 F7 C114 C115 F8 -0.6(4) . . . . ?
 F8 C115 C116 C117 -178.0(2) . . . . ?
 F8 C115 C116 F9 2.2(4) . . . . ?
 F9 C116 C117 C112 177.3(2) . . . . ?
 F9 C116 C117 F10 -2.3(4) . . . . ?
 C118 B1 C106 C107 44.5(3) . . . . ?
 C118 B1 C106 C111 -145.9(3) . . . . ?
 C118 B1 C112 C113 -23.6(3) . . . . ?
 C118 B1 C112 C117 165.0(2) . . . . ?
 C118 B1 C124 C125 74.1(3) . . . . ?
 C118 B1 C124 C129 -101.0(3) . . . . ?
 C118 C119 C120 C121 2.2(4) . . . . ?
 C118 C119 C120 F12 -177.3(2) . . . . ?
 C119 C118 C123 C122 2.1(4) . . . . ?
 C119 C118 C123 F15 -177.5(2) . . . . ?
 C119 C120 C121 C122 0.7(4) . . . . ?
 C119 C120 C121 F13 179.2(3) . . . . ?
 C120 C121 C122 C123 -1.9(4) . . . . ?
 C120 C121 C122 F14 179.2(3) . . . . ?
 C121 C122 C123 C118 0.4(4) . . . . ?
 C121 C122 C123 F15 -180.0(2) . . . . ?
 C123 C118 C119 C120 -3.4(4) . . . . ?
 C123 C118 C119 F11 176.6(2) . . . . ?
 F11 C119 C120 C121 -177.8(2) . . . . ?
 F11 C119 C120 F12 2.7(4) . . . . ?
 F12 C120 C121 C122 -179.8(3) . . . . ?
 F12 C120 C121 F13 -1.4(4) . . . . ?
 F13 C121 C122 C123 179.7(3) . . . . ?
 F13 C121 C122 F14 0.7(4) . . . . ?
 F14 C122 C123 C118 179.3(2) . . . . ?
 F14 C122 C123 F15 -1.1(4) . . . . ?
 C124 B1 C106 C107 161.8(2) . . . . ?
 C124 B1 C106 C111 -28.5(4) . . . . ?
 C124 B1 C112 C113 -141.5(2) . . . . ?
 C124 B1 C112 C117 47.1(3) . . . . ?
 C124 B1 C118 C119 76.4(3) . . . . ?
 C124 B1 C118 C123 -98.9(3) . . . . ?
 C124 C125 C126 C127 2.4(4) . . . . ?
 C124 C125 C126 F17 -178.5(2) . . . . ?
 C125 C124 C129 C128 2.9(4) . . . . ?
 C125 C124 C129 F20 -177.5(2) . . . . ?
 C125 C126 C127 C128 -0.2(4) . . . . ?
 C125 C126 C127 F18 177.9(2) . . . . ?
 C126 C127 C128 C129 -0.4(4) . . . . ?
 C126 C127 C128 F19 178.1(2) . . . . ?
 C127 C128 C129 C124 -1.1(4) . . . . ?
 C127 C128 C129 F20 179.3(2) . . . . ?
 C129 C124 C125 C126 -3.6(4) . . . . ?
 C129 C124 C125 F16 176.5(2) . . . . ?
 F16 C125 C126 C127 -177.6(2) . . . . ?
 F16 C125 C126 F17 1.4(3) . . . . ?
 F17 C126 C127 C128 -179.3(2) . . . . ?
 F17 C126 C127 F18 -1.1(4) . . . . ?
 F18 C127 C128 C129 -178.5(2) . . . . ?
 F18 C127 C128 F19 0.0(4) . . . . ?
 F19 C128 C129 C124 -179.6(2) . . . . ?
 F19 C128 C129 F20 0.8(3) . . . . ?
 B2 C130 C131 C132 -171.1(2) . . . . ?
 B2 C130 C131 F21 7.9(4) . . . . ?
 B2 C130 C135 C134 174.7(2) . . . . ?
 B2 C130 C135 F25 -5.4(3) . . . . ?
 B2 C136 C137 C138 173.5(3) . . . . ?
 B2 C136 C137 F26 -5.8(4) . . . . ?
 B2 C136 C141 C140 -174.5(2) . . . . ?
 B2 C136 C141 F30 5.9(4) . . . . ?
 B2 C142 C143 C144 169.8(2) . . . . ?
 B2 C142 C143 F31 -9.2(3) . . . . ?
 B2 C142 C147 C146 -170.2(2) . . . . ?
 B2 C142 C147 F35 9.0(4) . . . . ?
 B2 C148 C149 C150 -179.8(2) . . . . ?
 B2 C148 C149 F36 2.1(3) . . . . ?
 B2 C148 C153 C152 179.2(2) . . . . ?
 B2 C148 C153 F40 -1.5(4) . . . . ?
 C130 B2 C136 C137 133.3(3) . . . . ?
 C130 B2 C136 C141 -54.5(3) . . . . ?
 C130 B2 C142 C143 -66.0(3) . . . . ?
 C130 B2 C142 C147 103.3(3) . . . . ?
 C130 B2 C148 C149 -167.8(2) . . . . ?
 C130 B2 C148 C153 17.3(4) . . . . ?
 C130 C131 C132 C133 -2.4(4) . . . . ?
 C130 C131 C132 F22 178.3(2) . . . . ?
 C131 C130 C135 C134 2.4(4) . . . . ?
 C131 C130 C135 F25 -177.8(2) . . . . ?
 C131 C132 C133 C134 1.6(4) . . . . ?
 C131 C132 C133 F23 -178.1(2) . . . . ?
 C132 C133 C134 C135 0.9(4) . . . . ?
 C132 C133 C134 F24 -179.4(2) . . . . ?
 C133 C134 C135 C130 -3.1(4) . . . . ?
 C133 C134 C135 F25 177.0(2) . . . . ?
 C135 C130 C131 C132 0.4(4) . . . . ?
 C135 C130 C131 F21 179.5(2) . . . . ?
 F21 C131 C132 C133 178.5(2) . . . . ?
 F21 C131 C132 F22 -0.8(3) . . . . ?
 F22 C132 C133 C134 -179.0(2) . . . . ?
 F22 C132 C133 F23 1.2(3) . . . . ?
 F23 C133 C134 C135 -179.3(2) . . . . ?
 F23 C133 C134 F24 0.4(3) . . . . ?
 F24 C134 C135 C130 177.2(2) . . . . ?
 F24 C134 C135 F25 -2.6(3) . . . . ?
 C136 B2 C130 C131 -19.6(4) . . . . ?
 C136 B2 C130 C135 169.3(2) . . . . ?
 C136 B2 C142 C143 56.1(3) . . . . ?
 C136 B2 C142 C147 -134.6(3) . . . . ?
 C136 B2 C148 C149 69.0(3) . . . . ?
 C136 B2 C148 C153 -105.8(3) . . . . ?
 C136 C137 C138 C139 -0.4(4) . . . . ?
 C136 C137 C138 F27 179.6(2) . . . . ?
 C137 C136 C141 C140 -1.2(4) . . . . ?
 C137 C136 C141 F30 179.2(2) . . . . ?
 C137 C138 C139 C140 0.3(4) . . . . ?
 C137 C138 C139 F28 -179.6(2) . . . . ?
 C138 C139 C140 C141 -0.6(4) . . . . ?
 C138 C139 C140 F29 178.8(2) . . . . ?
 C139 C140 C141 C136 1.2(4) . . . . ?
 C139 C140 C141 F30 -179.2(2) . . . . ?
 C141 C136 C137 C138 0.8(4) . . . . ?
 C141 C136 C137 F26 -178.5(2) . . . . ?
 F26 C137 C138 C139 178.9(2) . . . . ?
 F26 C137 C138 F27 -1.1(4) . . . . ?
 F27 C138 C139 C140 -179.7(2) . . . . ?
 F27 C138 C139 F28 0.4(4) . . . . ?
 F28 C139 C140 C141 179.3(2) . . . . ?
 F28 C139 C140 F29 -1.3(4) . . . . ?
 F29 C140 C141 C136 -178.2(2) . . . . ?
 F29 C140 C141 F30 1.4(4) . . . . ?
 C142 B2 C130 C131 102.9(3) . . . . ?
 C142 B2 C130 C135 -68.2(3) . . . . ?
 C142 B2 C136 C137 19.2(4) . . . . ?
 C142 B2 C136 C141 -168.5(2) . . . . ?
 C142 B2 C148 C149 -54.8(3) . . . . ?
 C142 B2 C148 C153 130.4(3) . . . . ?
 C142 C143 C144 C145 1.0(4) . . . . ?
 C142 C143 C144 F32 -179.5(2) . . . . ?
 C143 C142 C147 C146 -0.4(4) . . . . ?
 C143 C142 C147 F35 178.8(2) . . . . ?
 C143 C144 C145 C146 0.3(4) . . . . ?
 C143 C144 C145 F33 179.7(2) . . . . ?
 C144 C145 C146 C147 -1.5(4) . . . . ?
 C144 C145 C146 F34 178.7(2) . . . . ?
 C145 C146 C147 C142 1.6(4) . . . . ?
 C145 C146 C147 F35 -177.7(2) . . . . ?
 C147 C142 C143 C144 -0.9(4) . . . . ?
 C147 C142 C143 F31 -179.9(2) . . . . ?
 F31 C143 C144 C145 180.0(2) . . . . ?
 F31 C143 C144 F32 -0.5(3) . . . . ?
 F32 C144 C145 C146 -179.3(2) . . . . ?
 F32 C144 C145 F33 0.2(4) . . . . ?
 F33 C145 C146 C147 179.1(2) . . . . ?
 F33 C145 C146 F34 -0.7(4) . . . . ?
 F34 C146 C147 C142 -178.6(2) . . . . ?
 F34 C146 C147 F35 2.1(4) . . . . ?
 C148 B2 C130 C131 -136.1(3) . . . . ?
 C148 B2 C130 C135 52.8(3) . . . . ?
 C148 B2 C136 C137 -103.7(3) . . . . ?
 C148 B2 C136 C141 68.5(3) . . . . ?
 C148 B2 C142 C143 172.8(2) . . . . ?
 C148 B2 C142 C147 -17.9(3) . . . . ?
 C148 C149 C150 C151 1.5(4) . . . . ?
 C148 C149 C150 F37 -177.7(2) . . . . ?
 C149 C148 C153 C152 3.9(4) . . . . ?
 C149 C148 C153 F40 -176.8(2) . . . . ?
 C149 C150 C151 C152 1.9(4) . . . . ?
 C149 C150 C151 F38 -177.4(2) . . . . ?
 C150 C151 C152 C153 -2.1(4) . . . . ?
 C150 C151 C152 F39 177.4(2) . . . . ?
 C151 C152 C153 C148 -1.0(4) . . . . ?
 C151 C152 C153 F40 179.7(2) . . . . ?
 C153 C148 C149 C150 -4.2(4) . . . . ?
 C153 C148 C149 F36 177.7(2) . . . . ?
 F36 C149 C150 C151 179.6(2) . . . . ?
 F36 C149 C150 F37 0.5(4) . . . . ?
 F37 C150 C151 C152 -178.9(2) . . . . ?
 F37 C150 C151 F38 1.8(4) . . . . ?
 F38 C151 C152 C153 177.1(2) . . . . ?
 F38 C151 C152 F39 -3.4(4) . . . . ?
 F39 C152 C153 C148 179.5(2) . . . . ?
 F39 C152 C153 F40 0.2(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'


