# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1057267'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C79 H21 Cl2 N'
_chemical_formula_weight         1054.87
_chemical_oxdiff_usercomment     
'Bolong Zhang - C60 derivative B2 p17 from dichlorobenzene'


loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4764(3)
_cell_length_b                   25.5317(6)
_cell_length_c                   16.5265(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.296(3)
_cell_angle_gamma                90
_cell_volume                     4319.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    130.01(10)
_cell_measurement_reflns_used    5561
_cell_measurement_theta_min      4.8930
_cell_measurement_theta_max      75.9000

_exptl_crystal_description       block
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_F_000             2144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    1.831
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.83648
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130.01(10)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.2273
_diffrn_reflns_number            14729
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         4.415
_diffrn_reflns_theta_max         77.039
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             8720
_reflns_number_gt                7400
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1322P)²+11.6778P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8720
_refine_ls_number_parameters     869
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.1060
_refine_ls_wR_factor_ref         0.2953
_refine_ls_wR_factor_gt          0.2847
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C2 C 0.3558(4) 0.32189(18) 0.7462(4) 0.0308(10) Uani 0.850(4) 1 d . . P A 1
C3 C 0.3523(4) 0.37689(17) 0.7780(3) 0.0453(10) Uani 1 1 d . . . A 1
C4 C 0.3900(4) 0.41816(17) 0.7370(3) 0.0440(10) Uani 1 1 d . . . A 1
C7 C 0.6036(4) 0.3512(2) 0.6215(2) 0.0414(10) Uani 1 1 d . . . A 1
C8 C 0.6421(7) 0.2971(3) 0.6528(4) 0.0410(14) Uani 0.850(4) 1 d . . P A 1
C9 C 0.5348(5) 0.27733(19) 0.6868(3) 0.0429(10) Uani 1 1 d . . . A 1
C10 C 0.5649(4) 0.24652(15) 0.7533(3) 0.0410(9) Uani 1 1 d . . . A 1
C11 C 0.5041(4) 0.25194(16) 0.8236(3) 0.0412(9) Uani 1 1 d . . . A 1
C12 C 0.4110(4) 0.29016(16) 0.8235(3) 0.0274(9) Uani 0.850(4) 1 d . . P A 1
C14 C 0.3758(4) 0.3764(2) 0.8662(4) 0.0544(12) Uani 1 1 d . . . A 1
C15 C 0.4333(5) 0.4194(2) 0.9140(3) 0.0584(13) Uani 1 1 d . . . A 1
C16 C 0.4748(5) 0.46323(19) 0.8715(4) 0.0566(13) Uani 1 1 d . . . A 1
C17 C 0.4555(4) 0.46162(16) 0.7852(3) 0.0461(10) Uani 1 1 d . . . A 1
C18 C 0.5591(4) 0.48128(15) 0.7476(3) 0.0460(10) Uani 1 1 d . . . A 1
C19 C 0.5644(4) 0.45096(16) 0.6764(3) 0.0434(10) Uani 1 1 d . . . A 1
C20 C 0.6827(5) 0.44004(18) 0.6576(3) 0.0468(10) Uani 1 1 d . . . A 1
C21 C 0.7045(4) 0.38764(19) 0.6297(3) 0.0434(10) Uani 1 1 d . . . A 1
C22 C 0.8365(4) 0.3724(2) 0.6636(3) 0.0430(10) Uani 1 1 d . . . A 1
C23 C 0.8665(4) 0.3221(2) 0.6893(3) 0.0510(11) Uani 1 1 d . . . A 1
C24 C 0.7658(5) 0.2847(2) 0.6830(3) 0.0510(11) Uani 1 1 d . . . A 1
C27 C 0.7233(5) 0.23085(17) 0.8805(3) 0.0492(11) Uani 1 1 d . . . A 1
C28 C 0.6920(6) 0.3437(3) 1.0499(3) 0.0611(14) Uani 1 1 d . . . A 1
C29 C 0.5995(5) 0.24327(18) 0.9006(3) 0.0518(12) Uani 1 1 d . . . A 1
C30 C 0.5951(5) 0.2729(2) 0.9693(3) 0.0570(13) Uani 1 1 d . . . A 1
C32 C 0.5596(5) 0.3594(2) 1.0172(3) 0.0556(13) Uani 1 1 d . . . A 1
C33 C 0.5296(6) 0.4096(3) 0.9916(3) 0.0648(15) Uani 1 1 d . . . A 1
C34 C 0.6299(7) 0.4487(2) 0.9970(4) 0.0679(16) Uani 1 1 d . . . A 1
C37 C 0.6728(5) 0.50113(16) 0.7974(3) 0.0511(11) Uani 1 1 d . . . A 1
C38 C 0.7963(4) 0.48957(17) 0.7774(3) 0.0501(11) Uani 1 1 d . . . A 1
C39 C 0.8008(4) 0.45940(18) 0.7098(3) 0.0480(11) Uani 1 1 d . . . A 1
C42 C 1.0228(4) 0.3564(2) 0.8117(4) 0.0523(12) Uani 1 1 d . . . A 1
C43 C 0.9632(4) 0.3135(2) 0.7657(3) 0.0561(13) Uani 1 1 d . . . A 1
C44 C 0.9212(4) 0.26877(19) 0.8062(3) 0.0515(12) Uani 1 1 d . . . A 1
C45 C 0.9416(4) 0.26882(19) 0.8926(3) 0.0514(11) Uani 1 1 d . . . A 1
C46 C 0.8385(4) 0.24849(18) 0.9318(3) 0.0501(11) Uani 1 1 d . . . A 1
C47 C 0.8336(5) 0.2796(2) 1.0025(3) 0.0535(12) Uani 1 1 d . . . A 1
C48 C 0.7139(6) 0.2918(2) 1.0215(3) 0.0612(14) Uani 1 1 d . . . A 1
C49 C 0.7918(6) 0.3814(3) 1.0573(3) 0.0629(15) Uani 1 1 d . . . A 1
C50 C 0.7562(6) 0.4359(2) 1.0291(3) 0.0641(15) Uani 1 1 d . . . A 1
C51 C 0.8609(5) 0.4559(2) 0.9904(3) 0.0580(13) Uani 1 1 d . . . A 1
C52 C 0.8293(5) 0.48764(19) 0.9224(4) 0.0580(13) Uani 1 1 d . . . A 1
C53 C 0.8923(4) 0.48064(17) 0.8549(3) 0.0490(11) Uani 1 1 d . . . A 1
C54 C 0.9843(4) 0.44257(17) 0.8560(3) 0.0421(9) Uani 1 1 d . . . A 1
C55 C 1.0207(4) 0.4079(2) 0.9275(3) 0.0530(12) Uani 1 1 d . . . A 1
C56 C 0.9578(5) 0.4145(2) 0.9946(3) 0.0555(13) Uani 1 1 d . . . A 1
C57 C 0.9144(6) 0.3699(2) 1.0354(3) 0.0626(15) Uani 1 1 d . . . A 1
C58 C 0.9364(6) 0.3194(2) 1.0096(3) 0.0469(13) Uani 0.850(4) 1 d . . P A 1
C59 C 1.0032(4) 0.3138(2) 0.9402(3) 0.0414(12) Uani 0.850(4) 1 d . . P A 1
C60 C 1.0423(4) 0.3561(2) 0.8994(3) 0.0519(12) Uani 1 1 d . . . A 1
C63 C 0.1690(4) 0.3119(2) 0.5186(3) 0.0557(13) Uani 0.850(4) 1 d D . P A 1
H63A H 0.1090 0.3363 0.4851 0.067 Uiso 0.850(4) 1 calc R U P A 1
H63B H 0.1336 0.2770 0.5070 0.067 Uiso 0.850(4) 1 calc R U P A 1
C67 C 0.2502(8) 0.4312(3) 0.4378(4) 0.099(3) Uani 1 1 d D . . A 1
H67A H 0.2017 0.4627 0.4420 0.148 Uiso 1 1 calc R U . A 1
H67B H 0.1958 0.4069 0.4018 0.148 Uiso 1 1 calc R U . A 1
H67C H 0.3254 0.4395 0.4156 0.148 Uiso 1 1 calc R U . A 1
C68 C 0.2588(4) 0.23682(16) 0.6705(3) 0.0400(9) Uani 1 1 d D . . A 1
C69 C 0.1834(4) 0.22229(19) 0.7280(4) 0.0532(12) Uani 1 1 d . . . A 1
H69 H 0.1585 0.2475 0.7623 0.064 Uiso 1 1 calc R U . A 1
C70 C 0.1460(4) 0.1703(2) 0.7335(3) 0.0535(12) Uani 1 1 d . . . A 1
H70 H 0.0961 0.1609 0.7715 0.064 Uiso 1 1 calc R U . A 1
C71 C 0.1816(5) 0.13362(18) 0.6842(4) 0.0552(13) Uani 1 1 d . . . A 1
H71 H 0.1543 0.0991 0.6872 0.066 Uiso 1 1 calc R U . A 1
C72 C 0.2591(5) 0.14704(19) 0.6287(4) 0.0559(13) Uani 1 1 d . . . A 1
H72 H 0.2858 0.1213 0.5961 0.067 Uiso 1 1 calc R U . A 1
C73 C 0.2964(4) 0.1985(2) 0.6220(3) 0.0497(11) Uani 1 1 d . . . A 1
H73 H 0.3474 0.2072 0.5843 0.060 Uiso 1 1 calc R U . A 1
C74 C 0.7885(5) 0.0703(2) 0.8084(3) 0.0592(13) Uani 1 1 d . . . B 1
C75 C 0.7736(6) 0.0812(2) 0.8869(3) 0.0611(13) Uani 1 1 d . . . B 1
C76 C 0.6572(6) 0.1017(3) 0.8989(4) 0.0689(15) Uani 1 1 d . . . B 1
H76 H 0.6453 0.1087 0.9520 0.083 Uiso 1 1 calc R U . B 1
C77 C 0.5569(6) 0.1117(2) 0.8294(4) 0.0658(15) Uani 1 1 d . . . B 1
H77 H 0.4770 0.1246 0.8366 0.079 Uiso 1 1 calc R U . B 1
C78 C 0.5759(6) 0.1026(2) 0.7517(4) 0.0663(15) Uani 1 1 d . . . B 1
H78 H 0.5108 0.1111 0.7060 0.080 Uiso 1 1 calc R U . B 1
C79 C 0.6892(6) 0.0811(3) 0.7408(3) 0.0672(15) Uani 1 1 d . . . B 1
H79 H 0.7002 0.0737 0.6876 0.081 Uiso 1 1 calc R U . B 1
Cl1 Cl 0.8952(2) 0.06841(12) 0.97360(12) 0.1221(10) Uani 1 1 d . . . B 1
Cl2 Cl 0.93205(19) 0.04391(11) 0.79233(15) 0.1137(8) Uani 1 1 d . . . B 1
C1 C 0.4224(5) 0.3135(2) 0.6684(3) 0.0308(9) Uani 0.850(4) 1 d D U P A 1
C5 C 0.4395(6) 0.4177(2) 0.6540(4) 0.0414(12) Uani 0.850(4) 1 d D . P A 1
C6 C 0.4605(5) 0.3611(2) 0.6196(3) 0.0373(10) Uani 0.850(4) 1 d . . P A 1
C13 C 0.4105(5) 0.3231(2) 0.8936(3) 0.0413(11) Uani 0.850(4) 1 d D . P A 1
C25 C 0.8029(5) 0.25023(19) 0.7561(4) 0.0427(12) Uani 0.850(4) 1 d D . P A 1
C26 C 0.7020(5) 0.23231(18) 0.7900(4) 0.0415(12) Uani 0.850(4) 1 d D . P A 1
C31 C 0.4979(6) 0.3150(3) 0.9668(3) 0.0500(14) Uani 0.850(4) 1 d D . P A 1
C35 C 0.5940(6) 0.4823(2) 0.9221(4) 0.0523(14) Uani 0.850(4) 1 d D . P A 1
C36 C 0.6940(7) 0.5009(2) 0.8877(5) 0.0525(16) Uani 0.850(4) 1 d D . P A 1
C40 C 0.8974(5) 0.4179(2) 0.7125(3) 0.0430(12) Uani 0.850(4) 1 d D . P A 1
C41 C 0.9881(5) 0.4102(2) 0.7839(3) 0.0430(12) Uani 0.850(4) 1 d D . P A 1
C61 C 0.2840(4) 0.29534(18) 0.6664(3) 0.0349(10) Uani 0.850(4) 1 d D . P A 1
C62 C 0.1753(5) 0.3238(2) 0.6068(3) 0.0428(11) Uani 0.850(4) 1 d D . P A 1
H62A H 0.0924 0.3146 0.6202 0.051 Uiso 0.850(4) 1 calc R U P A 1
H62B H 0.1874 0.3612 0.6152 0.051 Uiso 0.850(4) 1 calc R U P A 1
C64 C 0.3045(5) 0.3150(2) 0.4917(4) 0.0508(13) Uani 0.850(4) 1 d D . P A 1
H64A H 0.3560 0.2843 0.5119 0.061 Uiso 0.850(4) 1 calc R U P A 1
H64B H 0.2896 0.3150 0.4317 0.061 Uiso 0.850(4) 1 calc R U P A 1
C65 C 0.3815(5) 0.3646(2) 0.5256(3) 0.0502(14) Uani 0.850(4) 1 d D . P A 1
H65 H 0.4438 0.3723 0.4906 0.060 Uiso 0.850(4) 1 calc R U P A 1
C66 C 0.3463(6) 0.4471(3) 0.5799(4) 0.0602(16) Uani 0.850(4) 1 d D U P A 1
H66A H 0.2770 0.4650 0.5994 0.072 Uiso 0.850(4) 1 calc R U P A 1
H66B H 0.3952 0.4727 0.5555 0.072 Uiso 0.850(4) 1 calc R U P A 1
N1 N 0.2925(7) 0.4079(3) 0.5199(3) 0.058(2) Uani 0.850(4) 1 d D U P A 1
C1' C 0.471(4) 0.2906(14) 0.6649(18) 0.033(6) Uiso 0.150(4) 1 d . . P A 2
C2' C 0.374(3) 0.3272(8) 0.6893(16) 0.029(3) Uani 0.150(4) 1 d D U P A 2
C5' C 0.499(3) 0.4065(12) 0.6293(18) 0.045(7) Uani 0.150(4) 1 d D . P A 2
C6' C 0.377(2) 0.3870(8) 0.6692(18) 0.031(6) Uani 0.150(4) 1 d . . P A 2
C59' C 0.984(4) 0.3426(17) 0.995(2) 0.059(9) Uiso 0.150(4) 1 d . . P A 2
C58' C 0.879(5) 0.3288(18) 1.034(3) 0.066(11) Uiso 0.150(4) 1 d . . P A 2
C61' C 0.337(2) 0.2786(7) 0.6364(11) 0.040(6) Uani 0.150(4) 1 d D . P A 2
C62' C 0.3040(14) 0.2927(12) 0.5448(12) 0.054(9) Uani 0.150(4) 1 d D . P A 2
H62C H 0.3639 0.3194 0.5340 0.065 Uiso 0.150(4) 1 calc R U P A 2
H62D H 0.3153 0.2620 0.5125 0.065 Uiso 0.150(4) 1 calc R U P A 2
C64' C 0.141(3) 0.3597(8) 0.5734(18) 0.049(7) Uiso 0.150(4) 1 d D . P A 2
H64C H 0.0625 0.3769 0.5439 0.059 Uiso 0.150(4) 1 calc R U P A 2
H64D H 0.1223 0.3455 0.6240 0.059 Uiso 0.150(4) 1 calc R U P A 2
C65' C 0.247(2) 0.4022(10) 0.5983(13) 0.048(8) Uani 0.150(4) 1 d D . P A 2
H65' H 0.2057 0.4323 0.6190 0.058 Uiso 0.150(4) 1 calc R U P A 2
C66' C 0.428(3) 0.4322(15) 0.545(2) 0.061(3) Uani 0.150(4) 1 d D U P A 2
H66C H 0.4377 0.4699 0.5481 0.073 Uiso 0.150(4) 1 calc R U P A 2
H66D H 0.4674 0.4198 0.5002 0.073 Uiso 0.150(4) 1 calc R U P A 2
N1' N 0.291(4) 0.419(3) 0.5261(13) 0.057(4) Uani 0.150(4) 1 d D U P A 2
C40' C 0.687(2) 0.2471(9) 0.7302(13) 0.028(5) Uiso 0.150(4) 1 d D . P A 2
C25' C 0.945(3) 0.3876(9) 0.7294(17) 0.036(6) Uiso 0.150(4) 1 d D . P A 2
C35' C 0.467(3) 0.2933(11) 0.920(2) 0.045(7) Uiso 0.150(4) 1 d D . P A 2
C26' C 0.928(3) 0.4370(9) 0.7585(19) 0.039(6) Uiso 0.150(4) 1 d D . P A 2
C31' C 0.712(3) 0.4824(15) 0.948(2) 0.058(8) Uiso 0.150(4) 1 d D . P A 2
C36' C 0.440(4) 0.3421(12) 0.948(2) 0.056(8) Uiso 0.150(4) 1 d D . P A 2
C41' C 0.773(3) 0.2348(12) 0.8016(15) 0.039(6) Uiso 0.150(4) 1 d D . P A 2
C13' C 0.632(5) 0.4972(18) 0.875(2) 0.061(11) Uiso 0.150(4) 1 d D . P A 2
C8' C 0.609(3) 0.3110(12) 0.6417(19) 0.020(7) Uiso 0.150(4) 1 d . . P A 2
C12' C 0.370(3) 0.3206(13) 0.784(2) 0.031(8) Uiso 0.150(4) 1 d . . P A 2
C63' C 0.1690(4) 0.3119(2) 0.5186(3) 0.0557(13) Uani 0.150(4) 1 d . . P A 2
H63C H 0.1088 0.2837 0.5228 0.067 Uiso 0.150(4) 1 calc R U P A 2
H63D H 0.1538 0.3227 0.4611 0.067 Uiso 0.150(4) 1 calc R U P A 2


_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
C2 C3 1.503(6) . ?
C2 C12 1.519(7) . ?
C2 C61 1.529(8) . ?
C2 C1 1.602(8) . ?
C3 C4 1.357(7) . ?
C3 C14 1.425(8) . ?
C4 C17 1.450(6) . ?
C4 C5 1.566(8) . ?
C7 C21 1.392(6) . ?
C7 C8 1.500(9) . ?
C7 C6 1.514(6) . ?
C8 C24 1.324(9) . ?
C8 C9 1.450(8) . ?
C9 C10 1.334(7) . ?
C9 C1 1.476(7) . ?
C10 C11 1.446(6) . ?
C10 C26 1.480(7) . ?
C11 C12 1.380(6) . ?
C11 C29 1.458(6) . ?
C12 C13 1.432(6) . ?
C14 C15 1.411(8) . ?
C14 C13 1.457(8) . ?
C15 C16 1.436(8) . ?
C15 C33 1.476(9) . ?
C16 C17 1.398(8) . ?
C16 C35 1.432(8) . ?
C17 C18 1.450(6) . ?
C18 C37 1.391(7) . ?
C18 C19 1.420(7) . ?
C19 C20 1.368(7) . ?
C19 C5 1.538(7) . ?
C20 C39 1.436(7) . ?
C20 C21 1.449(7) . ?
C21 C22 1.432(6) . ?
C22 C23 1.368(7) . ?
C22 C40 1.480(7) . ?
C23 C24 1.411(7) . ?
C23 C43 1.457(7) . ?
C24 C25 1.477(8) . ?
C27 C46 1.393(7) . ?
C27 C29 1.441(7) . ?
C27 C26 1.466(8) . ?
C28 C49 1.407(8) . ?
C28 C32 1.435(8) . ?
C28 C48 1.441(9) . ?
C29 C30 1.373(8) . ?
C30 C48 1.438(8) . ?
C30 C31 1.476(9) . ?
C32 C33 1.364(9) . ?
C32 C31 1.472(7) . ?
C33 C34 1.438(8) . ?
C34 C50 1.356(9) . ?
C34 C35 1.487(10) . ?
C37 C38 1.433(7) . ?
C37 C36 1.462(9) . ?
C38 C39 1.366(8) . ?
C38 C53 1.467(7) . ?
C39 C40 1.459(8) . ?
C42 C43 1.401(8) . ?
C42 C60 1.419(8) . ?
C42 C41 1.470(8) . ?
C43 C44 1.440(8) . ?
C44 C45 1.398(7) . ?
C44 C25 1.417(7) . ?
C45 C59 1.463(7) . ?
C45 C46 1.467(7) . ?
C46 C47 1.423(8) . ?
C47 C48 1.390(8) . ?
C47 C58 1.467(8) . ?
C49 C57 1.436(9) . ?
C49 C50 1.491(9) . ?
C50 C51 1.473(8) . ?
C51 C52 1.369(8) . ?
C51 C56 1.457(8) . ?
C52 C53 1.423(8) . ?
C52 C36 1.451(9) . ?
C53 C54 1.366(7) . ?
C54 C41 1.457(7) . ?
C54 C55 1.461(7) . ?
C55 C56 1.416(8) . ?
C55 C60 1.436(7) . ?
C56 C57 1.443(7) . ?
C57 C58 1.395(9) . ?
C58 C59 1.472(9) . ?
C59 C60 1.381(7) . ?
C63 C62 1.477(7) . ?
C63 C64 1.578(8) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C67 N1 1.463(7) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 C73 1.375(6) . ?
C68 C69 1.409(7) . ?
C68 C61 1.521(6) . ?
C69 C70 1.393(7) . ?
C69 H69 0.9300 . ?
C70 C71 1.345(8) . ?
C70 H70 0.9300 . ?
C71 C72 1.390(8) . ?
C71 H71 0.9300 . ?
C72 C73 1.382(7) . ?
C72 H72 0.9300 . ?
C73 H73 0.9300 . ?
C74 C75 1.366(7) . ?
C74 C79 1.384(8) . ?
C74 Cl2 1.720(6) . ?
C75 C76 1.380(8) . ?
C75 Cl1 1.734(6) . ?
C76 C77 1.405(9) . ?
C76 H76 0.9300 . ?
C77 C78 1.361(9) . ?
C77 H77 0.9300 . ?
C78 C79 1.353(9) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C1 C61 1.515(6) . ?
C1 C6 1.557(6) . ?
C5 C66 1.584(7) . ?
C5 C6 1.585(8) . ?
C6 C65 1.600(7) . ?
C13 C31 1.369(8) . ?
C25 C26 1.376(8) . ?
C35 C36 1.379(9) . ?
C40 C41 1.363(7) . ?
C61 C62 1.522(7) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C64 C65 1.543(8) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 N1 1.435(12) . ?
C65 H65 0.9800 . ?
C66 N1 1.437(10) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C1' C61' 1.41(4) . ?
C1' C2' 1.50(5) . ?
C1' C8' 1.65(5) . ?
C2' C61' 1.517(8) . ?
C2' C6' 1.57(3) . ?
C2' C12' 1.58(4) . ?
C5' C66' 1.584(9) . ?
C5' C6' 1.64(4) . ?
C6' C65' 1.64(3) . ?
C59' C58' 1.43(6) . ?
C61' C62' 1.522(8) . ?
C62' C63' 1.473(9) . ?
C62' H62C 0.9700 . ?
C62' H62D 0.9700 . ?
C64' C65' 1.544(9) . ?
C64' C63' 1.582(9) . ?
C64' H64C 0.9700 . ?
C64' H64D 0.9700 . ?
C65' N1' 1.435(13) . ?
C65' H65' 0.9800 . ?
C66' N1' 1.437(11) . ?
C66' H66C 0.9700 . ?
C66' H66D 0.9700 . ?
C40' C41' 1.363(9) . ?
C25' C26' 1.376(9) . ?
C35' C36' 1.381(10) . ?
C31' C13' 1.369(10) . ?
C63' H63C 0.9700 . ?
C63' H63D 0.9700 . ?

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
C3 C2 C12 103.7(5) . . ?
C3 C2 C61 132.2(5) . . ?
C12 C2 C61 121.2(4) . . ?
C3 C2 C1 116.9(4) . . ?
C12 C2 C1 116.8(4) . . ?
C61 C2 C1 57.8(3) . . ?
C4 C3 C14 120.9(4) . . ?
C4 C3 C2 121.3(5) . . ?
C14 C3 C2 109.8(4) . . ?
C3 C4 C17 118.3(5) . . ?
C3 C4 C5 128.2(4) . . ?
C17 C4 C5 106.3(4) . . ?
C21 C7 C8 116.0(4) . . ?
C21 C7 C6 128.2(5) . . ?
C8 C7 C6 110.6(4) . . ?
C24 C8 C9 123.2(7) . . ?
C24 C8 C7 121.4(5) . . ?
C9 C8 C7 106.3(6) . . ?
C10 C9 C8 117.2(6) . . ?
C10 C9 C1 125.2(4) . . ?
C8 C9 C1 110.7(5) . . ?
C9 C10 C11 122.6(4) . . ?
C9 C10 C26 121.4(4) . . ?
C11 C10 C26 104.4(4) . . ?
C12 C11 C10 119.9(4) . . ?
C12 C11 C29 117.5(4) . . ?
C10 C11 C29 110.4(4) . . ?
C11 C12 C13 122.6(4) . . ?
C11 C12 C2 121.4(4) . . ?
C13 C12 C2 107.5(4) . . ?
C15 C14 C3 121.7(5) . . ?
C15 C14 C13 120.4(5) . . ?
C3 C14 C13 107.6(4) . . ?
C14 C15 C16 118.1(5) . . ?
C14 C15 C33 119.0(5) . . ?
C16 C15 C33 109.6(5) . . ?
C17 C16 C35 121.7(5) . . ?
C17 C16 C15 118.8(4) . . ?
C35 C16 C15 107.2(5) . . ?
C16 C17 C18 117.9(4) . . ?
C16 C17 C4 122.1(4) . . ?
C18 C17 C4 109.8(4) . . ?
C37 C18 C19 120.6(4) . . ?
C37 C18 C17 119.8(5) . . ?
C19 C18 C17 109.4(4) . . ?
C20 C19 C18 119.8(4) . . ?
C20 C19 C5 126.8(5) . . ?
C18 C19 C5 108.6(4) . . ?
C19 C20 C39 120.0(5) . . ?
C19 C20 C21 118.1(4) . . ?
C39 C20 C21 109.6(4) . . ?
C7 C21 C22 120.5(4) . . ?
C7 C21 C20 118.7(4) . . ?
C22 C21 C20 109.3(4) . . ?
C23 C22 C21 121.0(4) . . ?
C23 C22 C40 121.6(4) . . ?
C21 C22 C40 105.6(4) . . ?
C22 C23 C24 119.6(4) . . ?
C22 C23 C43 118.8(5) . . ?
C24 C23 C43 109.4(5) . . ?
C8 C24 C23 121.4(5) . . ?
C8 C24 C25 121.1(5) . . ?
C23 C24 C25 106.3(4) . . ?
C46 C27 C29 119.6(5) . . ?
C46 C27 C26 122.5(5) . . ?
C29 C27 C26 106.3(4) . . ?
C49 C28 C32 118.8(6) . . ?
C49 C28 C48 119.3(6) . . ?
C32 C28 C48 110.0(5) . . ?
C30 C29 C27 120.1(4) . . ?
C30 C29 C11 120.0(5) . . ?
C27 C29 C11 108.4(5) . . ?
C29 C30 C48 120.2(5) . . ?
C29 C30 C31 121.6(5) . . ?
C48 C30 C31 106.1(5) . . ?
C33 C32 C28 121.3(5) . . ?
C33 C32 C31 120.2(5) . . ?
C28 C32 C31 105.7(5) . . ?
C32 C33 C34 121.1(6) . . ?
C32 C33 C15 120.0(5) . . ?
C34 C33 C15 106.9(6) . . ?
C50 C34 C33 119.8(6) . . ?
C50 C34 C35 121.1(6) . . ?
C33 C34 C35 107.3(6) . . ?
C18 C37 C38 119.4(5) . . ?
C18 C37 C36 121.8(5) . . ?
C38 C37 C36 106.6(5) . . ?
C39 C38 C37 119.6(4) . . ?
C39 C38 C53 119.3(4) . . ?
C37 C38 C53 108.4(5) . . ?
C38 C39 C20 120.6(4) . . ?
C38 C39 C40 121.9(5) . . ?
C20 C39 C40 105.8(4) . . ?
C43 C42 C60 120.0(5) . . ?
C43 C42 C41 120.6(5) . . ?
C60 C42 C41 107.2(5) . . ?
C42 C43 C44 120.8(5) . . ?
C42 C43 C23 120.0(5) . . ?
C44 C43 C23 107.3(5) . . ?
C45 C44 C25 121.4(5) . . ?
C45 C44 C43 118.6(5) . . ?
C25 C44 C43 108.0(5) . . ?
C44 C45 C59 120.3(5) . . ?
C44 C45 C46 118.9(4) . . ?
C59 C45 C46 108.8(5) . . ?
C27 C46 C47 120.1(5) . . ?
C27 C46 C45 118.0(5) . . ?
C47 C46 C45 108.9(4) . . ?
C48 C47 C46 120.1(4) . . ?
C48 C47 C58 120.6(6) . . ?
C46 C47 C58 107.3(5) . . ?
C47 C48 C30 119.8(5) . . ?
C47 C48 C28 119.6(5) . . ?
C30 C48 C28 109.0(5) . . ?
C28 C49 C57 121.8(6) . . ?
C28 C49 C50 118.7(5) . . ?
C57 C49 C50 106.8(5) . . ?
C34 C50 C51 120.1(6) . . ?
C34 C50 C49 120.3(5) . . ?
C51 C50 C49 107.4(5) . . ?
C52 C51 C56 120.9(5) . . ?
C52 C51 C50 119.3(5) . . ?
C56 C51 C50 107.7(5) . . ?
C51 C52 C53 119.9(5) . . ?
C51 C52 C36 120.4(5) . . ?
C53 C52 C36 107.3(5) . . ?
C54 C53 C52 121.5(5) . . ?
C54 C53 C38 118.2(5) . . ?
C52 C53 C38 108.6(5) . . ?
C53 C54 C41 122.3(4) . . ?
C53 C54 C55 120.3(4) . . ?
C41 C54 C55 105.7(4) . . ?
C56 C55 C60 119.7(5) . . ?
C56 C55 C54 118.5(5) . . ?
C60 C55 C54 109.2(5) . . ?
C55 C56 C57 121.1(5) . . ?
C55 C56 C51 119.0(5) . . ?
C57 C56 C51 107.9(5) . . ?
C58 C57 C49 118.7(6) . . ?
C58 C57 C56 119.8(6) . . ?
C49 C57 C56 110.2(6) . . ?
C57 C58 C47 119.9(6) . . ?
C57 C58 C59 117.7(5) . . ?
C47 C58 C59 109.5(5) . . ?
C60 C59 C45 119.5(5) . . ?
C60 C59 C58 123.0(5) . . ?
C45 C59 C58 105.4(4) . . ?
C59 C60 C42 120.7(5) . . ?
C59 C60 C55 118.6(5) . . ?
C42 C60 C55 109.1(5) . . ?
C62 C63 C64 114.5(4) . . ?
C62 C63 H63A 108.6 . . ?
C64 C63 H63A 108.6 . . ?
C62 C63 H63B 108.6 . . ?
C64 C63 H63B 108.6 . . ?
H63A C63 H63B 107.6 . . ?
N1 C67 H67A 109.5 . . ?
N1 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
N1 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C73 C68 C69 118.5(4) . . ?
C73 C68 C61 126.9(4) . . ?
C69 C68 C61 114.6(4) . . ?
C70 C69 C68 120.1(4) . . ?
C70 C69 H69 120.0 . . ?
C68 C69 H69 120.0 . . ?
C71 C70 C69 120.4(5) . . ?
C71 C70 H70 119.8 . . ?
C69 C70 H70 119.8 . . ?
C70 C71 C72 120.3(4) . . ?
C70 C71 H71 119.9 . . ?
C72 C71 H71 119.9 . . ?
C73 C72 C71 120.2(4) . . ?
C73 C72 H72 119.9 . . ?
C71 C72 H72 119.9 . . ?
C68 C73 C72 120.6(5) . . ?
C68 C73 H73 119.7 . . ?
C72 C73 H73 119.7 . . ?
C75 C74 C79 120.5(5) . . ?
C75 C74 Cl2 120.5(5) . . ?
C79 C74 Cl2 119.0(4) . . ?
C74 C75 C76 119.8(6) . . ?
C74 C75 Cl1 122.2(5) . . ?
C76 C75 Cl1 117.9(4) . . ?
C75 C76 C77 118.8(5) . . ?
C75 C76 H76 120.6 . . ?
C77 C76 H76 120.6 . . ?
C78 C77 C76 120.3(5) . . ?
C78 C77 H77 119.8 . . ?
C76 C77 H77 119.8 . . ?
C79 C78 C77 120.3(6) . . ?
C79 C78 H78 119.8 . . ?
C77 C78 H78 119.8 . . ?
C78 C79 C74 120.2(5) . . ?
C78 C79 H79 119.9 . . ?
C74 C79 H79 119.9 . . ?
C9 C1 C61 122.0(4) . . ?
C9 C1 C6 108.3(4) . . ?
C61 C1 C6 125.3(4) . . ?
C9 C1 C2 112.6(4) . . ?
C61 C1 C2 58.7(3) . . ?
C6 C1 C2 121.0(4) . . ?
C19 C5 C4 102.1(4) . . ?
C19 C5 C66 106.1(4) . . ?
C4 C5 C66 114.2(5) . . ?
C19 C5 C6 114.4(5) . . ?
C4 C5 C6 114.7(4) . . ?
C66 C5 C6 105.3(4) . . ?
C7 C6 C1 102.8(4) . . ?
C7 C6 C5 110.9(4) . . ?
C1 C6 C5 117.1(4) . . ?
C7 C6 C65 109.5(4) . . ?
C1 C6 C65 114.2(4) . . ?
C5 C6 C65 102.3(4) . . ?
C31 C13 C12 120.7(5) . . ?
C31 C13 C14 119.4(5) . . ?
C12 C13 C14 109.9(5) . . ?
C26 C25 C44 121.7(6) . . ?
C26 C25 C24 116.1(5) . . ?
C44 C25 C24 108.9(5) . . ?
C25 C26 C27 117.4(5) . . ?
C25 C26 C10 120.9(5) . . ?
C27 C26 C10 110.4(4) . . ?
C13 C31 C32 121.0(6) . . ?
C13 C31 C30 117.5(5) . . ?
C32 C31 C30 109.1(5) . . ?
C36 C35 C16 121.4(6) . . ?
C36 C35 C34 117.5(6) . . ?
C16 C35 C34 109.0(5) . . ?
C35 C36 C52 121.4(7) . . ?
C35 C36 C37 117.3(6) . . ?
C52 C36 C37 109.1(5) . . ?
C41 C40 C39 118.8(5) . . ?
C41 C40 C22 120.0(5) . . ?
C39 C40 C22 109.7(4) . . ?
C40 C41 C54 119.4(5) . . ?
C40 C41 C42 119.0(5) . . ?
C54 C41 C42 108.8(5) . . ?
C1 C61 C68 118.3(4) . . ?
C1 C61 C62 116.6(4) . . ?
C68 C61 C62 112.6(4) . . ?
C1 C61 C2 63.5(3) . . ?
C68 C61 C2 117.1(4) . . ?
C62 C61 C2 120.6(4) . . ?
C63 C62 C61 114.3(4) . . ?
C63 C62 H62A 108.7 . . ?
C61 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C65 C64 C63 111.7(5) . . ?
C65 C64 H64A 109.3 . . ?
C63 C64 H64A 109.3 . . ?
C65 C64 H64B 109.3 . . ?
C63 C64 H64B 109.3 . . ?
H64A C64 H64B 107.9 . . ?
N1 C65 C64 109.0(5) . . ?
N1 C65 C6 107.6(5) . . ?
C64 C65 C6 115.4(4) . . ?
N1 C65 H65 108.2 . . ?
C64 C65 H65 108.2 . . ?
C6 C65 H65 108.2 . . ?
N1 C66 C5 106.9(5) . . ?
N1 C66 H66A 110.3 . . ?
C5 C66 H66A 110.3 . . ?
N1 C66 H66B 110.4 . . ?
C5 C66 H66B 110.3 . . ?
H66A C66 H66B 108.6 . . ?
C65 N1 C66 109.7(5) . . ?
C65 N1 C67 116.0(7) . . ?
C66 N1 C67 110.7(6) . . ?
C61' C1' C2' 62.7(19) . . ?
C61' C1' C8' 148(2) . . ?
C2' C1' C8' 123(3) . . ?
C1' C2' C61' 55.8(15) . . ?
C1' C2' C6' 120(2) . . ?
C61' C2' C6' 134(2) . . ?
C1' C2' C12' 111(2) . . ?
C61' C2' C12' 115(2) . . ?
C6' C2' C12' 109(2) . . ?
C66' C5' C6' 102(2) . . ?
C2' C6' C5' 116(2) . . ?
C2' C6' C65' 109.3(18) . . ?
C5' C6' C65' 103.9(18) . . ?
C1' C61' C2' 61.5(19) . . ?
C1' C61' C62' 106.3(15) . . ?
C2' C61' C62' 110.9(19) . . ?
C63' C62' C61' 112.0(15) . . ?
C63' C62' H62C 109.2 . . ?
C61' C62' H62C 109.2 . . ?
C63' C62' H62D 109.2 . . ?
C61' C62' H62D 109.2 . . ?
H62C C62' H62D 107.9 . . ?
C65' C64' C63' 119.1(19) . . ?
C65' C64' H64C 107.5 . . ?
C63' C64' H64C 107.5 . . ?
C65' C64' H64D 107.5 . . ?
C63' C64' H64D 107.5 . . ?
H64C C64' H64D 107.0 . . ?
N1' C65' C64' 109(3) . . ?
N1' C65' C6' 107.6(19) . . ?
C64' C65' C6' 117(2) . . ?
N1' C65' H65' 107.4 . . ?
C64' C65' H65' 107.4 . . ?
C6' C65' H65' 107.4 . . ?
N1' C66' C5' 111(2) . . ?
N1' C66' H66C 109.5 . . ?
C5' C66' H66C 109.5 . . ?
N1' C66' H66D 109.5 . . ?
C5' C66' H66D 109.5 . . ?
H66C C66' H66D 108.1 . . ?
C65' N1' C66' 111.9(19) . . ?
C62' C63' C64' 111.7(16) . . ?
C62' C63' H63C 109.3 . . ?
C64' C63' H63C 109.3 . . ?
C62' C63' H63D 109.3 . . ?
C64' C63' H63D 109.3 . . ?
H63C C63' H63D 107.9 . . ?

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
C12 C2 C3 C4 137.5(4) . . . . ?
C61 C2 C3 C4 -62.4(6) . . . . ?
C1 C2 C3 C4 7.4(6) . . . . ?
C12 C2 C3 C14 -11.4(4) . . . . ?
C61 C2 C3 C14 148.8(5) . . . . ?
C1 C2 C3 C14 -141.4(4) . . . . ?
C14 C3 C4 C17 0.3(6) . . . . ?
C2 C3 C4 C17 -145.1(4) . . . . ?
C14 C3 C4 C5 146.3(5) . . . . ?
C2 C3 C4 C5 0.8(7) . . . . ?
C21 C7 C8 C24 -2.9(7) . . . . ?
C6 C7 C8 C24 -159.7(5) . . . . ?
C21 C7 C8 C9 145.0(4) . . . . ?
C6 C7 C8 C9 -11.8(5) . . . . ?
C24 C8 C9 C10 2.2(7) . . . . ?
C7 C8 C9 C10 -144.9(4) . . . . ?
C24 C8 C9 C1 154.7(5) . . . . ?
C7 C8 C9 C1 7.6(5) . . . . ?
C8 C9 C10 C11 136.3(4) . . . . ?
C1 C9 C10 C11 -11.7(7) . . . . ?
C8 C9 C10 C26 -1.1(6) . . . . ?
C1 C9 C10 C26 -149.2(5) . . . . ?
C9 C10 C11 C12 0.0(6) . . . . ?
C26 C10 C11 C12 143.4(4) . . . . ?
C9 C10 C11 C29 -141.6(4) . . . . ?
C26 C10 C11 C29 1.8(4) . . . . ?
C10 C11 C12 C13 -134.9(4) . . . . ?
C29 C11 C12 C13 4.0(6) . . . . ?
C10 C11 C12 C2 9.0(6) . . . . ?
C29 C11 C12 C2 148.0(4) . . . . ?
C3 C2 C12 C11 -137.0(4) . . . . ?
C61 C2 C12 C11 60.1(5) . . . . ?
C1 C2 C12 C11 -6.8(6) . . . . ?
C3 C2 C12 C13 11.6(4) . . . . ?
C61 C2 C12 C13 -151.3(4) . . . . ?
C1 C2 C12 C13 141.8(4) . . . . ?
C4 C3 C14 C15 2.9(7) . . . . ?
C2 C3 C14 C15 152.0(4) . . . . ?
C4 C3 C14 C13 -142.2(4) . . . . ?
C2 C3 C14 C13 6.9(5) . . . . ?
C3 C14 C15 C16 -3.4(7) . . . . ?
C13 C14 C15 C16 137.4(5) . . . . ?
C3 C14 C15 C33 -140.3(5) . . . . ?
C13 C14 C15 C33 0.4(7) . . . . ?
C14 C15 C16 C17 0.6(7) . . . . ?
C33 C15 C16 C17 141.3(4) . . . . ?
C14 C15 C16 C35 -142.3(5) . . . . ?
C33 C15 C16 C35 -1.6(5) . . . . ?
C35 C16 C17 C18 -1.7(7) . . . . ?
C15 C16 C17 C18 -139.1(4) . . . . ?
C35 C16 C17 C4 140.1(5) . . . . ?
C15 C16 C17 C4 2.6(6) . . . . ?
C3 C4 C17 C16 -3.1(6) . . . . ?
C5 C4 C17 C16 -155.8(4) . . . . ?
C3 C4 C17 C18 141.3(4) . . . . ?
C5 C4 C17 C18 -11.4(5) . . . . ?
C16 C17 C18 C37 -0.3(6) . . . . ?
C4 C17 C18 C37 -146.4(4) . . . . ?
C16 C17 C18 C19 145.1(4) . . . . ?
C4 C17 C18 C19 -1.0(5) . . . . ?
C37 C18 C19 C20 1.6(6) . . . . ?
C17 C18 C19 C20 -143.5(4) . . . . ?
C37 C18 C19 C5 158.4(4) . . . . ?
C17 C18 C19 C5 13.3(5) . . . . ?
C18 C19 C20 C39 -0.2(6) . . . . ?
C5 C19 C20 C39 -152.5(4) . . . . ?
C18 C19 C20 C21 138.1(4) . . . . ?
C5 C19 C20 C21 -14.1(7) . . . . ?
C8 C7 C21 C22 2.3(6) . . . . ?
C6 C7 C21 C22 154.2(4) . . . . ?
C8 C7 C21 C20 -137.2(4) . . . . ?
C6 C7 C21 C20 14.8(6) . . . . ?
C19 C20 C21 C7 1.4(6) . . . . ?
C39 C20 C21 C7 143.8(4) . . . . ?
C19 C20 C21 C22 -142.2(4) . . . . ?
C39 C20 C21 C22 0.2(5) . . . . ?
C7 C21 C22 C23 -0.7(6) . . . . ?
C20 C21 C22 C23 142.2(4) . . . . ?
C7 C21 C22 C40 -144.0(4) . . . . ?
C20 C21 C22 C40 -1.2(4) . . . . ?
C21 C22 C23 C24 -0.5(6) . . . . ?
C40 C22 C23 C24 137.0(4) . . . . ?
C21 C22 C23 C43 -139.0(4) . . . . ?
C40 C22 C23 C43 -1.5(6) . . . . ?
C9 C8 C24 C23 -140.6(5) . . . . ?
C7 C8 C24 C23 1.9(7) . . . . ?
C9 C8 C24 C25 -1.7(8) . . . . ?
C7 C8 C24 C25 140.8(5) . . . . ?
C22 C23 C24 C8 -0.1(7) . . . . ?
C43 C23 C24 C8 141.9(5) . . . . ?
C22 C23 C24 C25 -144.2(4) . . . . ?
C43 C23 C24 C25 -2.2(5) . . . . ?
C46 C27 C29 C30 0.8(6) . . . . ?
C26 C27 C29 C30 -143.2(4) . . . . ?
C46 C27 C29 C11 144.3(4) . . . . ?
C26 C27 C29 C11 0.2(5) . . . . ?
C12 C11 C29 C30 -0.5(6) . . . . ?
C10 C11 C29 C30 142.1(4) . . . . ?
C12 C11 C29 C27 -143.9(4) . . . . ?
C10 C11 C29 C27 -1.3(5) . . . . ?
C27 C29 C30 C48 0.1(7) . . . . ?
C11 C29 C30 C48 -139.2(5) . . . . ?
C27 C29 C30 C31 137.3(5) . . . . ?
C11 C29 C30 C31 -1.9(7) . . . . ?
C49 C28 C32 C33 1.5(7) . . . . ?
C48 C28 C32 C33 -141.3(5) . . . . ?
C49 C28 C32 C31 143.0(4) . . . . ?
C48 C28 C32 C31 0.3(5) . . . . ?
C28 C32 C33 C34 -0.4(7) . . . . ?
C31 C32 C33 C34 -136.5(5) . . . . ?
C28 C32 C33 C15 137.3(5) . . . . ?
C31 C32 C33 C15 1.1(7) . . . . ?
C14 C15 C33 C32 -1.5(7) . . . . ?
C16 C15 C33 C32 -141.8(5) . . . . ?
C14 C15 C33 C34 141.4(5) . . . . ?
C16 C15 C33 C34 1.1(5) . . . . ?
C32 C33 C34 C50 -0.9(7) . . . . ?
C15 C33 C34 C50 -143.4(5) . . . . ?
C32 C33 C34 C35 142.3(5) . . . . ?
C15 C33 C34 C35 -0.2(5) . . . . ?
C19 C18 C37 C38 -1.6(6) . . . . ?
C17 C18 C37 C38 139.9(4) . . . . ?
C19 C18 C37 C36 -138.9(5) . . . . ?
C17 C18 C37 C36 2.6(6) . . . . ?
C18 C37 C38 C39 0.2(7) . . . . ?
C36 C37 C38 C39 143.2(4) . . . . ?
C18 C37 C38 C53 -141.4(4) . . . . ?
C36 C37 C38 C53 1.7(5) . . . . ?
C37 C38 C39 C20 1.2(6) . . . . ?
C53 C38 C39 C20 138.6(4) . . . . ?
C37 C38 C39 C40 -136.6(5) . . . . ?
C53 C38 C39 C40 0.8(6) . . . . ?
C19 C20 C39 C38 -1.2(6) . . . . ?
C21 C20 C39 C38 -142.7(4) . . . . ?
C19 C20 C39 C40 142.5(4) . . . . ?
C21 C20 C39 C40 0.9(5) . . . . ?
C60 C42 C43 C44 -0.1(6) . . . . ?
C41 C42 C43 C44 -137.7(5) . . . . ?
C60 C42 C43 C23 138.0(5) . . . . ?
C41 C42 C43 C23 0.4(7) . . . . ?
C22 C23 C43 C42 0.5(6) . . . . ?
C24 C23 C43 C42 -141.9(5) . . . . ?
C22 C23 C43 C44 143.6(4) . . . . ?
C24 C23 C43 C44 1.2(5) . . . . ?
C42 C43 C44 C45 -0.2(6) . . . . ?
C23 C43 C44 C45 -143.0(4) . . . . ?
C42 C43 C44 C25 143.1(4) . . . . ?
C23 C43 C44 C25 0.3(5) . . . . ?
C25 C44 C45 C59 -137.7(5) . . . . ?
C43 C44 C45 C59 0.6(6) . . . . ?
C25 C44 C45 C46 0.9(7) . . . . ?
C43 C44 C45 C46 139.1(4) . . . . ?
C29 C27 C46 C47 -1.3(6) . . . . ?
C26 C27 C46 C47 136.7(5) . . . . ?
C29 C27 C46 C45 -138.5(5) . . . . ?
C26 C27 C46 C45 -0.5(7) . . . . ?
C44 C45 C46 C27 -1.1(7) . . . . ?
C59 C45 C46 C27 141.7(4) . . . . ?
C44 C45 C46 C47 -142.7(4) . . . . ?
C59 C45 C46 C47 0.1(5) . . . . ?
C27 C46 C47 C48 0.9(7) . . . . ?
C45 C46 C47 C48 141.6(4) . . . . ?
C27 C46 C47 C58 -141.8(4) . . . . ?
C45 C46 C47 C58 -1.2(5) . . . . ?
C46 C47 C48 C30 0.0(7) . . . . ?
C58 C47 C48 C30 137.8(5) . . . . ?
C46 C47 C48 C28 -139.2(5) . . . . ?
C58 C47 C48 C28 -1.4(7) . . . . ?
C29 C30 C48 C47 -0.5(7) . . . . ?
C31 C30 C48 C47 -143.4(5) . . . . ?
C29 C30 C48 C28 142.6(5) . . . . ?
C31 C30 C48 C28 -0.4(5) . . . . ?
C49 C28 C48 C47 0.7(7) . . . . ?
C32 C28 C48 C47 143.2(4) . . . . ?
C49 C28 C48 C30 -142.4(5) . . . . ?
C32 C28 C48 C30 0.1(5) . . . . ?
C32 C28 C49 C57 -137.8(5) . . . . ?
C48 C28 C49 C57 1.4(7) . . . . ?
C32 C28 C49 C50 -1.2(7) . . . . ?
C48 C28 C49 C50 138.1(5) . . . . ?
C33 C34 C50 C51 138.8(5) . . . . ?
C35 C34 C50 C51 0.7(7) . . . . ?
C33 C34 C50 C49 1.1(7) . . . . ?
C35 C34 C50 C49 -136.9(5) . . . . ?
C28 C49 C50 C34 -0.1(7) . . . . ?
C57 C49 C50 C34 142.4(5) . . . . ?
C28 C49 C50 C51 -142.5(5) . . . . ?
C57 C49 C50 C51 0.0(5) . . . . ?
C34 C50 C51 C52 0.5(7) . . . . ?
C49 C50 C51 C52 143.0(5) . . . . ?
C34 C50 C51 C56 -142.4(5) . . . . ?
C49 C50 C51 C56 0.1(5) . . . . ?
C56 C51 C52 C53 -0.4(6) . . . . ?
C50 C51 C52 C53 -138.4(5) . . . . ?
C56 C51 C52 C36 136.9(5) . . . . ?
C50 C51 C52 C36 -1.0(7) . . . . ?
C51 C52 C53 C54 0.1(6) . . . . ?
C36 C52 C53 C54 -142.2(4) . . . . ?
C51 C52 C53 C38 142.4(4) . . . . ?
C36 C52 C53 C38 0.1(5) . . . . ?
C39 C38 C53 C54 0.8(6) . . . . ?
C37 C38 C53 C54 142.5(4) . . . . ?
C39 C38 C53 C52 -142.8(4) . . . . ?
C37 C38 C53 C52 -1.1(5) . . . . ?
C52 C53 C54 C41 137.5(5) . . . . ?
C38 C53 C54 C41 -1.3(6) . . . . ?
C52 C53 C54 C55 -0.2(6) . . . . ?
C38 C53 C54 C55 -138.9(4) . . . . ?
C53 C54 C55 C56 0.5(6) . . . . ?
C41 C54 C55 C56 -143.2(4) . . . . ?
C53 C54 C55 C60 142.2(4) . . . . ?
C41 C54 C55 C60 -1.5(5) . . . . ?
C60 C55 C56 C57 -0.2(7) . . . . ?
C54 C55 C56 C57 137.5(5) . . . . ?
C60 C55 C56 C51 -138.5(4) . . . . ?
C54 C55 C56 C51 -0.8(6) . . . . ?
C52 C51 C56 C55 0.8(6) . . . . ?
C50 C51 C56 C55 143.0(4) . . . . ?
C52 C51 C56 C57 -142.4(4) . . . . ?
C50 C51 C56 C57 -0.2(5) . . . . ?
C28 C49 C57 C58 -2.8(7) . . . . ?
C50 C49 C57 C58 -143.8(5) . . . . ?
C28 C49 C57 C56 140.9(5) . . . . ?
C50 C49 C57 C56 -0.1(5) . . . . ?
C55 C56 C57 C58 1.2(7) . . . . ?
C51 C56 C57 C58 143.4(5) . . . . ?
C55 C56 C57 C49 -142.0(5) . . . . ?
C51 C56 C57 C49 0.2(5) . . . . ?
C49 C57 C58 C47 2.1(7) . . . . ?
C56 C57 C58 C47 -138.1(5) . . . . ?
C49 C57 C58 C59 139.7(5) . . . . ?
C56 C57 C58 C59 -0.5(7) . . . . ?
C48 C47 C58 C57 0.0(7) . . . . ?
C46 C47 C58 C57 142.5(5) . . . . ?
C48 C47 C58 C59 -140.7(5) . . . . ?
C46 C47 C58 C59 1.8(5) . . . . ?
C44 C45 C59 C60 -0.6(7) . . . . ?
C46 C45 C59 C60 -142.8(4) . . . . ?
C44 C45 C59 C58 143.2(4) . . . . ?
C46 C45 C59 C58 1.0(5) . . . . ?
C57 C58 C59 C60 -1.2(7) . . . . ?
C47 C58 C59 C60 140.4(4) . . . . ?
C57 C58 C59 C45 -143.4(5) . . . . ?
C47 C58 C59 C45 -1.7(5) . . . . ?
C45 C59 C60 C42 0.2(7) . . . . ?
C58 C59 C60 C42 -137.0(5) . . . . ?
C45 C59 C60 C55 139.4(5) . . . . ?
C58 C59 C60 C55 2.2(6) . . . . ?
C43 C42 C60 C59 0.1(7) . . . . ?
C41 C42 C60 C59 142.7(5) . . . . ?
C43 C42 C60 C55 -142.5(4) . . . . ?
C41 C42 C60 C55 0.1(5) . . . . ?
C56 C55 C60 C59 -1.4(6) . . . . ?
C54 C55 C60 C59 -142.6(4) . . . . ?
C56 C55 C60 C42 142.1(4) . . . . ?
C54 C55 C60 C42 0.9(5) . . . . ?
C73 C68 C69 C70 -1.4(7) . . . . ?
C61 C68 C69 C70 175.6(4) . . . . ?
C68 C69 C70 C71 0.1(7) . . . . ?
C69 C70 C71 C72 1.7(7) . . . . ?
C70 C71 C72 C73 -2.2(7) . . . . ?
C69 C68 C73 C72 1.0(7) . . . . ?
C61 C68 C73 C72 -175.6(4) . . . . ?
C71 C72 C73 C68 0.8(7) . . . . ?
C79 C74 C75 C76 2.0(9) . . . . ?
Cl2 C74 C75 C76 -179.0(5) . . . . ?
C79 C74 C75 Cl1 180.0(5) . . . . ?
Cl2 C74 C75 Cl1 -0.9(8) . . . . ?
C74 C75 C76 C77 -1.1(10) . . . . ?
Cl1 C75 C76 C77 -179.2(5) . . . . ?
C75 C76 C77 C78 -1.6(9) . . . . ?
C76 C77 C78 C79 3.5(9) . . . . ?
C77 C78 C79 C74 -2.6(9) . . . . ?
C75 C74 C79 C78 -0.1(9) . . . . ?
Cl2 C74 C79 C78 -179.2(5) . . . . ?
C10 C9 C1 C61 -53.6(7) . . . . ?
C8 C9 C1 C61 156.6(4) . . . . ?
C10 C9 C1 C6 149.0(4) . . . . ?
C8 C9 C1 C6 -0.9(5) . . . . ?
C10 C9 C1 C2 12.6(6) . . . . ?
C8 C9 C1 C2 -137.2(4) . . . . ?
C3 C2 C1 C9 120.4(5) . . . . ?
C12 C2 C1 C9 -3.3(5) . . . . ?
C61 C2 C1 C9 -114.8(4) . . . . ?
C3 C2 C1 C61 -124.8(5) . . . . ?
C12 C2 C1 C61 111.6(4) . . . . ?
C3 C2 C1 C6 -9.8(6) . . . . ?
C12 C2 C1 C6 -133.4(4) . . . . ?
C61 C2 C1 C6 115.0(5) . . . . ?
C20 C19 C5 C4 135.6(5) . . . . ?
C18 C19 C5 C4 -19.2(5) . . . . ?
C20 C19 C5 C66 -104.6(6) . . . . ?
C18 C19 C5 C66 100.6(5) . . . . ?
C20 C19 C5 C6 11.0(7) . . . . ?
C18 C19 C5 C6 -143.7(4) . . . . ?
C3 C4 C5 C19 -130.9(5) . . . . ?
C17 C4 C5 C19 18.2(4) . . . . ?
C3 C4 C5 C66 115.1(5) . . . . ?
C17 C4 C5 C66 -95.8(5) . . . . ?
C3 C4 C5 C6 -6.6(7) . . . . ?
C17 C4 C5 C6 142.5(4) . . . . ?
C21 C7 C6 C1 -142.3(4) . . . . ?
C8 C7 C6 C1 10.9(5) . . . . ?
C21 C7 C6 C5 -16.4(6) . . . . ?
C8 C7 C6 C5 136.8(4) . . . . ?
C21 C7 C6 C65 95.9(5) . . . . ?
C8 C7 C6 C65 -110.9(4) . . . . ?
C9 C1 C6 C7 -6.1(5) . . . . ?
C61 C1 C6 C7 -162.6(5) . . . . ?
C2 C1 C6 C7 125.9(4) . . . . ?
C9 C1 C6 C5 -127.9(5) . . . . ?
C61 C1 C6 C5 75.5(6) . . . . ?
C2 C1 C6 C5 4.1(6) . . . . ?
C9 C1 C6 C65 112.5(5) . . . . ?
C61 C1 C6 C65 -44.0(7) . . . . ?
C2 C1 C6 C65 -115.5(5) . . . . ?
C19 C5 C6 C7 3.5(6) . . . . ?
C4 C5 C6 C7 -114.0(4) . . . . ?
C66 C5 C6 C7 119.6(5) . . . . ?
C19 C5 C6 C1 121.0(5) . . . . ?
C4 C5 C6 C1 3.5(6) . . . . ?
C66 C5 C6 C1 -122.9(5) . . . . ?
C19 C5 C6 C65 -113.3(4) . . . . ?
C4 C5 C6 C65 129.2(4) . . . . ?
C66 C5 C6 C65 2.8(5) . . . . ?
C11 C12 C13 C31 -5.2(7) . . . . ?
C2 C12 C13 C31 -153.4(4) . . . . ?
C11 C12 C13 C14 140.1(4) . . . . ?
C2 C12 C13 C14 -8.1(5) . . . . ?
C15 C14 C13 C31 1.1(7) . . . . ?
C3 C14 C13 C31 146.7(4) . . . . ?
C15 C14 C13 C12 -144.7(4) . . . . ?
C3 C14 C13 C12 0.9(5) . . . . ?
C45 C44 C25 C26 1.1(7) . . . . ?
C43 C44 C25 C26 -140.9(5) . . . . ?
C45 C44 C25 C24 140.4(5) . . . . ?
C43 C44 C25 C24 -1.7(5) . . . . ?
C8 C24 C25 C26 0.0(7) . . . . ?
C23 C24 C25 C26 144.2(4) . . . . ?
C8 C24 C25 C44 -141.8(5) . . . . ?
C23 C24 C25 C44 2.4(5) . . . . ?
C44 C25 C26 C27 -2.7(7) . . . . ?
C24 C25 C26 C27 -139.2(5) . . . . ?
C44 C25 C26 C10 137.6(5) . . . . ?
C24 C25 C26 C10 1.1(7) . . . . ?
C46 C27 C26 C25 2.3(7) . . . . ?
C29 C27 C26 C25 145.1(4) . . . . ?
C46 C27 C26 C10 -141.8(4) . . . . ?
C29 C27 C26 C10 0.9(5) . . . . ?
C9 C10 C26 C25 -0.5(7) . . . . ?
C11 C10 C26 C25 -144.4(5) . . . . ?
C9 C10 C26 C27 142.3(4) . . . . ?
C11 C10 C26 C27 -1.7(5) . . . . ?
C12 C13 C31 C32 140.6(5) . . . . ?
C14 C13 C31 C32 -1.5(7) . . . . ?
C12 C13 C31 C30 2.5(7) . . . . ?
C14 C13 C31 C30 -139.6(5) . . . . ?
C33 C32 C31 C13 0.4(7) . . . . ?
C28 C32 C31 C13 -141.6(5) . . . . ?
C33 C32 C31 C30 141.5(5) . . . . ?
C28 C32 C31 C30 -0.5(5) . . . . ?
C29 C30 C31 C13 0.9(7) . . . . ?
C48 C30 C31 C13 143.3(5) . . . . ?
C29 C30 C31 C32 -141.8(4) . . . . ?
C48 C30 C31 C32 0.6(5) . . . . ?
C17 C16 C35 C36 1.4(8) . . . . ?
C15 C16 C35 C36 143.1(5) . . . . ?
C17 C16 C35 C34 -140.1(5) . . . . ?
C15 C16 C35 C34 1.5(5) . . . . ?
C50 C34 C35 C36 -1.5(7) . . . . ?
C33 C34 C35 C36 -144.1(5) . . . . ?
C50 C34 C35 C16 141.7(5) . . . . ?
C33 C34 C35 C16 -0.9(6) . . . . ?
C16 C35 C36 C52 -137.5(6) . . . . ?
C34 C35 C36 C52 1.0(7) . . . . ?
C16 C35 C36 C37 0.9(8) . . . . ?
C34 C35 C36 C37 139.3(5) . . . . ?
C51 C52 C36 C35 0.3(7) . . . . ?
C53 C52 C36 C35 142.3(5) . . . . ?
C51 C52 C36 C37 -141.0(5) . . . . ?
C53 C52 C36 C37 1.0(5) . . . . ?
C18 C37 C36 C35 -2.9(7) . . . . ?
C38 C37 C36 C35 -144.8(5) . . . . ?
C18 C37 C36 C52 140.3(5) . . . . ?
C38 C37 C36 C52 -1.7(5) . . . . ?
C38 C39 C40 C41 -2.0(6) . . . . ?
C20 C39 C40 C41 -145.1(4) . . . . ?
C38 C39 C40 C22 141.4(4) . . . . ?
C20 C39 C40 C22 -1.6(5) . . . . ?
C23 C22 C40 C41 1.7(7) . . . . ?
C21 C22 C40 C41 144.7(4) . . . . ?
C23 C22 C40 C39 -141.3(4) . . . . ?
C21 C22 C40 C39 1.8(5) . . . . ?
C39 C40 C41 C54 1.5(7) . . . . ?
C22 C40 C41 C54 -138.1(5) . . . . ?
C39 C40 C41 C42 139.0(5) . . . . ?
C22 C40 C41 C42 -0.7(7) . . . . ?
C53 C54 C41 C40 0.1(7) . . . . ?
C55 C54 C41 C40 142.9(4) . . . . ?
C53 C54 C41 C42 -141.2(4) . . . . ?
C55 C54 C41 C42 1.6(5) . . . . ?
C43 C42 C41 C40 -0.3(7) . . . . ?
C60 C42 C41 C40 -142.6(4) . . . . ?
C43 C42 C41 C54 141.2(4) . . . . ?
C60 C42 C41 C54 -1.1(5) . . . . ?
C9 C1 C61 C68 -9.5(7) . . . . ?
C6 C1 C61 C68 144.0(5) . . . . ?
C2 C1 C61 C68 -108.1(5) . . . . ?
C9 C1 C61 C62 -148.7(5) . . . . ?
C6 C1 C61 C62 4.8(7) . . . . ?
C2 C1 C61 C62 112.7(5) . . . . ?
C9 C1 C61 C2 98.6(5) . . . . ?
C6 C1 C61 C2 -107.9(6) . . . . ?
C73 C68 C61 C1 -50.8(6) . . . . ?
C69 C68 C61 C1 132.4(4) . . . . ?
C73 C68 C61 C62 90.0(6) . . . . ?
C69 C68 C61 C62 -86.8(5) . . . . ?
C73 C68 C61 C2 -123.7(5) . . . . ?
C69 C68 C61 C2 59.5(5) . . . . ?
C3 C2 C61 C1 98.7(6) . . . . ?
C12 C2 C61 C1 -103.9(4) . . . . ?
C3 C2 C61 C68 -151.4(5) . . . . ?
C12 C2 C61 C68 5.9(6) . . . . ?
C1 C2 C61 C68 109.8(5) . . . . ?
C3 C2 C61 C62 -8.0(8) . . . . ?
C12 C2 C61 C62 149.3(4) . . . . ?
C1 C2 C61 C62 -106.7(5) . . . . ?
C64 C63 C62 C61 -47.7(6) . . . . ?
C1 C61 C62 C63 71.5(6) . . . . ?
C68 C61 C62 C63 -70.0(5) . . . . ?
C2 C61 C62 C63 145.0(5) . . . . ?
C62 C63 C64 C65 -45.6(6) . . . . ?
C63 C64 C65 N1 -39.8(6) . . . . ?
C63 C64 C65 C6 81.4(6) . . . . ?
C7 C6 C65 N1 -136.8(5) . . . . ?
C1 C6 C65 N1 108.5(5) . . . . ?
C5 C6 C65 N1 -19.1(6) . . . . ?
C7 C6 C65 C64 101.2(5) . . . . ?
C1 C6 C65 C64 -13.5(7) . . . . ?
C5 C6 C65 C64 -141.0(5) . . . . ?
C19 C5 C66 N1 135.8(6) . . . . ?
C4 C5 C66 N1 -112.7(6) . . . . ?
C6 C5 C66 N1 14.1(7) . . . . ?
C64 C65 N1 C66 155.8(5) . . . . ?
C6 C65 N1 C66 29.9(7) . . . . ?
C64 C65 N1 C67 -78.0(7) . . . . ?
C6 C65 N1 C67 156.2(5) . . . . ?
C5 C66 N1 C65 -27.7(7) . . . . ?
C5 C66 N1 C67 -157.0(7) . . . . ?
C8' C1' C2' C61' 143(3) . . . . ?
C61' C1' C2' C6' -125(2) . . . . ?
C8' C1' C2' C6' 18(4) . . . . ?
C61' C1' C2' C12' 107(2) . . . . ?
C8' C1' C2' C12' -110(3) . . . . ?
C1' C2' C6' C5' -6(3) . . . . ?
C61' C2' C6' C5' -76(4) . . . . ?
C12' C2' C6' C5' 124(2) . . . . ?
C1' C2' C6' C65' 111(2) . . . . ?
C61' C2' C6' C65' 41(4) . . . . ?
C12' C2' C6' C65' -119(2) . . . . ?
C66' C5' C6' C2' 122(3) . . . . ?
C66' C5' C6' C65' 2(3) . . . . ?
C8' C1' C61' C2' -109(6) . . . . ?
C2' C1' C61' C62' 105(2) . . . . ?
C8' C1' C61' C62' -4(6) . . . . ?
C6' C2' C61' C1' 101(3) . . . . ?
C12' C2' C61' C1' -99(3) . . . . ?
C1' C2' C61' C62' -97.8(19) . . . . ?
C6' C2' C61' C62' 3(4) . . . . ?
C12' C2' C61' C62' 163(2) . . . . ?
C1' C61' C62' C63' -147(2) . . . . ?
C2' C61' C62' C63' -81(2) . . . . ?
C63' C64' C65' N1' 50(4) . . . . ?
C63' C64' C65' C6' -73(3) . . . . ?
C2' C6' C65' N1' -116(4) . . . . ?
C5' C6' C65' N1' 8(4) . . . . ?
C2' C6' C65' C64' 8(3) . . . . ?
C5' C6' C65' C64' 132(2) . . . . ?
C6' C5' C66' N1' -13(5) . . . . ?
C64' C65' N1' C66' -146(5) . . . . ?
C6' C65' N1' C66' -17(7) . . . . ?
C5' C66' N1' C65' 19(7) . . . . ?
C61' C62' C63' C64' 55(2) . . . . ?
C65' C64' C63' C62' 41(3) . . . . ?

_refine_diff_density_max         0.532
_refine_diff_density_min         -1.097
_refine_diff_density_rms         0.086

