# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_s17hv
_database_code_depnum_ccdc_archive 'CCDC 1523319'
_audit_update_record             
;
2016-12-19 deposited with the CCDC.
2017-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C83 H29 Cl2 N2.36 O4.50'
_chemical_formula_weight         1202.02

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/a

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

_cell_length_a                   19.9364(18)
_cell_length_b                   11.5274(10)
_cell_length_c                   22.498(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.9076(13)
_cell_angle_gamma                90.00
_cell_volume                     4996.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9283
_cell_measurement_theta_min      0.94
_cell_measurement_theta_max      25.50

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2454
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9860
_exptl_absorpt_correction_T_max  0.9900
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24418
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         0.94
_diffrn_reflns_theta_max         25.50
_reflns_number_total             9283
_reflns_number_gt                6784
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0579P)²+12.2220P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9283
_refine_ls_number_parameters     1099
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0725
_refine_ls_wR_factor_ref         0.1886
_refine_ls_wR_factor_gt          0.1712
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_restrained_S_all      1.148
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1A O 0.53900(18) 1.0965(3) 0.73192(16) 0.0254(8) Uani 0.798(4) 1 d P A 1
O2A O 0.4636(3) 0.9598(5) 0.6233(3) 0.0270(11) Uani 0.798(4) 1 d P A 1
O3A O 0.56964(18) 0.8970(3) 0.6669(2) 0.0201(9) Uani 0.798(4) 1 d P A 1
O4A O 0.64386(16) 1.0325(3) 0.83903(14) 0.0214(8) Uani 0.798(4) 1 d P A 1
C1 C 0.5538(2) 1.1978(6) 0.7351(2) 0.0174(10) Uani 0.798(4) 1 d P A 1
C104 C 1.4374(11) -0.445(2) 1.2578(10) 0.021(5) Uiso 0.202(4) 1 d P A 2
C105 C 1.3758(16) -0.419(3) 1.2077(12) 0.017(6) Uiso 0.202(4) 1 d P A 2
C106 C 1.3747(15) -0.293(2) 1.2023(13) 0.021(8) Uiso 0.202(4) 1 d P A 2
C107 C 1.3185(15) -0.479(2) 1.2008(12) 0.024(7) Uiso 0.202(4) 1 d P A 2
C108 C 1.2518(13) -0.424(3) 1.1851(11) 0.017(7) Uiso 0.202(4) 1 d P A 2
C109 C 1.2066(16) -0.490(2) 1.2130(11) 0.014(6) Uiso 0.202(4) 1 d P A 2
C110 C 1.1582(13) -0.442(2) 1.2386(13) 0.018(6) Uiso 0.202(4) 1 d P A 2
C111 C 1.1455(12) -0.477(3) 1.2953(11) 0.017(6) Uiso 0.202(4) 1 d P A 2
C112 C 1.1298(17) -0.377(3) 1.3240(18) 0.022(8) Uiso 0.202(4) 1 d P A 2
C113 C 1.1570(13) -0.364(2) 1.3873(11) 0.010(6) Uiso 0.202(4) 1 d P A 2
C114 C 1.2011(16) -0.457(2) 1.4253(14) 0.013(6) Uiso 0.202(4) 1 d P A 2
C115 C 1.2123(16) -0.556(3) 1.3938(12) 0.010(7) Uiso 0.202(4) 1 d P A 2
C116 C 1.2907(17) -0.601(3) 1.4155(16) 0.006(6) Uiso 0.202(4) 1 d P A 2
C117 C 1.295(3) -0.655(6) 1.355(3) 0.026(14) Uiso 0.202(4) 1 d P A 2
C118 C 1.357(2) -0.646(3) 1.3465(16) 0.016(9) Uiso 0.202(4) 1 d P A 2
C119 C 1.3731(12) -0.608(2) 1.2867(11) 0.011(6) Uiso 0.202(4) 1 d P A 2
C120 C 1.3133(17) -0.5816(18) 1.2403(9) 0.009(5) Uiso 0.202(4) 1 d P A 2
C121 C 1.2425(13) -0.588(2) 1.2449(11) 0.020(6) Uiso 0.202(4) 1 d P A 2
C122 C 1.2365(17) -0.620(3) 1.3016(13) 0.014(7) Uiso 0.202(4) 1 d P A 2
C123 C 1.1850(13) -0.568(2) 1.3281(13) 0.007(6) Uiso 0.202(4) 1 d P A 2
C124 C 0.79450(19) 0.9967(3) 0.87831(18) 0.0249(9) Uani 1 1 d . . .
C125 C 0.8548(2) 1.0473(4) 0.91362(18) 0.0283(9) Uani 1 1 d . . .
H125 H 0.8742 1.1137 0.8994 0.034 Uiso 1 1 calc R . .
C126 C 0.8861(2) 0.9983(4) 0.9702(2) 0.0358(10) Uani 1 1 d . . .
H126 H 0.9280 1.0300 0.9950 0.043 Uiso 1 1 calc R . .
C127 C 0.8560(2) 0.9030(4) 0.9903(2) 0.0386(11) Uani 1 1 d . . .
H127 H 0.8763 0.8699 1.0295 0.046 Uiso 1 1 calc R . .
C128 C 0.7958(2) 0.8563(4) 0.95273(19) 0.0326(10) Uani 1 1 d . . .
C129 C 0.7564(3) 0.7539(4) 0.97173(19) 0.0399(11) Uani 1 1 d . . .
C130 C 0.7263(3) 0.6767(4) 0.9163(2) 0.0497(14) Uani 1 1 d . . .
H130 H 0.6965 0.7231 0.8834 0.075 Uiso 1 1 calc R . .
H131 H 0.6989 0.6145 0.9282 0.075 Uiso 1 1 calc R . .
H132 H 0.7642 0.6428 0.9016 0.075 Uiso 1 1 calc R . .
C131 C 0.8036(3) 0.6814(5) 1.0217(2) 0.0473(13) Uani 1 1 d . . .
H133 H 0.7771 0.6169 1.0326 0.071 Uiso 1 1 calc R . .
H134 H 0.8220 0.7298 1.0580 0.071 Uiso 1 1 calc R . .
H135 H 0.8420 0.6508 1.0066 0.071 Uiso 1 1 calc R . .
C132 C 0.6972(3) 0.8062(5) 0.9955(2) 0.0476(13) Uani 1 1 d . . .
H136 H 0.6682 0.8554 0.9635 0.071 Uiso 1 1 calc R . .
H137 H 0.7168 0.8528 1.0323 0.071 Uiso 1 1 calc R . .
H138 H 0.6689 0.7435 1.0058 0.071 Uiso 1 1 calc R . .
C133 C 0.8488(2) 0.8973(3) 0.71481(18) 0.0244(9) Uani 1 1 d . . .
C134 C 0.8620(2) 0.8615(4) 0.6604(2) 0.0346(10) Uani 1 1 d . . .
H139 H 0.8340 0.8865 0.6217 0.042 Uiso 1 1 calc R . .
C135 C 0.9171(2) 0.7883(4) 0.6646(2) 0.0363(11) Uani 1 1 d . . .
H140 H 0.9280 0.7612 0.6283 0.044 Uiso 1 1 calc R . .
C136 C 0.9572(2) 0.7538(4) 0.7220(2) 0.0360(11) Uani 1 1 d . . .
H141 H 0.9961 0.7043 0.7251 0.043 Uiso 1 1 calc R . .
C137 C 0.9400(2) 0.7925(3) 0.7754(2) 0.0283(9) Uani 1 1 d . . .
C138 C 0.9779(2) 0.7596(4) 0.8398(2) 0.0356(10) Uani 1 1 d . . .
C139 C 1.0146(3) 0.8680(5) 0.8732(3) 0.0523(14) Uani 1 1 d . . .
H142 H 1.0404 0.8470 0.9151 0.078 Uiso 1 1 calc R . .
H143 H 0.9798 0.9272 0.8751 0.078 Uiso 1 1 calc R . .
H144 H 1.0467 0.8988 0.8508 0.078 Uiso 1 1 calc R . .
C140 C 1.0321(3) 0.6650(5) 0.8403(3) 0.0611(16) Uani 1 1 d . . .
H145 H 1.0565 0.6465 0.8829 0.092 Uiso 1 1 calc R . .
H146 H 1.0655 0.6927 0.8183 0.092 Uiso 1 1 calc R . .
H147 H 1.0089 0.5952 0.8200 0.092 Uiso 1 1 calc R . .
C141 C 0.9254(3) 0.7153(4) 0.8745(2) 0.0427(12) Uani 1 1 d . . .
H148 H 0.9502 0.6935 0.9166 0.064 Uiso 1 1 calc R . .
H149 H 0.9008 0.6476 0.8532 0.064 Uiso 1 1 calc R . .
H150 H 0.8919 0.7768 0.8759 0.064 Uiso 1 1 calc R . .
C142 C 1.0041(3) 0.3480(5) 0.8811(3) 0.0581(15) Uani 1 1 d . B 1
H151 H 0.9791 0.3867 0.8425 0.070 Uiso 1 1 calc R B 1
H152 H 1.0534 0.3720 0.8904 0.070 Uiso 1 1 calc R B 1
Cl1 Cl 0.99872(6) 0.19904(13) 0.87085(7) 0.0551(4) Uani 1 1 d . B 1
Cl2 Cl 0.96907(16) 0.39283(19) 0.94043(9) 0.1184(9) Uani 1 1 d . B 1
N1 N 0.88628(16) 0.8659(3) 0.77036(15) 0.0245(7) Uani 1 1 d . . .
C2 C 0.5252(2) 1.2892(5) 0.6868(3) 0.0206(11) Uani 0.798(4) 1 d P A 1
N2 N 0.76531(17) 0.9033(3) 0.89726(15) 0.0276(8) Uani 1 1 d . . .
C3 C 0.5110(2) 1.2795(5) 0.6226(2) 0.0204(11) Uani 0.798(4) 1 d P A 1
O4B O 1.2673(7) 0.1217(12) 1.3826(6) 0.028(3) Uiso 0.202(4) 1 d P A 2
O1B O 1.3972(9) 0.0087(16) 1.4221(8) 0.032(5) Uiso 0.202(4) 1 d P A 2
O3B O 1.4339(11) 0.0843(19) 1.3117(9) 0.032(6) Uiso 0.202(4) 1 d P A 2
O2B O 1.5244(19) 0.045(3) 1.3912(15) 0.050(10) Uiso 0.202(4) 1 d P A 2
N3 N 0.6924(19) 0.370(2) 0.6604(17) 0.014(6) Uiso 0.180(19) 1 d PDU C 2
C4 C 0.5298(2) 1.1811(5) 0.5854(2) 0.0195(11) Uani 0.798(4) 1 d P A 1
N4 N 0.6805(13) 0.279(2) 0.6671(11) 0.022(6) Uiso 0.180(19) 1 d PDU C 2
C5 C 0.5552(2) 1.0692(4) 0.6033(2) 0.0199(10) Uani 0.798(4) 1 d P A 1
C6 C 0.5244(4) 0.9777(7) 0.6342(4) 0.0198(16) Uani 0.798(4) 1 d P A 1
C7 C 0.6410(2) 0.9252(4) 0.6861(2) 0.0177(10) Uani 0.798(4) 1 d P A 1
C8 C 0.6756(3) 0.9017(5) 0.7435(3) 0.0192(13) Uani 0.798(4) 1 d P A 1
H8 H 0.6536 0.8622 0.7704 0.023 Uiso 0.798(4) 1 calc PR A 1
C9 C 0.75059(19) 0.9388(3) 0.76538(17) 0.0216(8) Uani 1 1 d . . .
H9 H 0.7773 0.8711 0.7873 0.026 Uiso 1 1 calc R A 1
O5 O 0.6862(5) 0.3385(8) 0.6598(5) 0.028(3) Uani 0.50(3) 1 d PDU D 1
H5A H 0.691(6) 0.264(3) 0.677(4) 0.042 Uiso 0.50(3) 1 d PD D 1
H5B H 0.717(4) 0.386(6) 0.688(3) 0.042 Uiso 0.50(3) 1 d PD D 1
C10 C 0.75720(18) 1.0410(3) 0.81444(19) 0.0238(8) Uani 1 1 d . . .
C11 C 0.6870(2) 1.0910(4) 0.8236(2) 0.0193(10) Uani 0.798(4) 1 d P A 1
C12 C 0.6750(4) 1.2172(7) 0.8126(3) 0.0183(19) Uani 0.798(4) 1 d P A 1
C13 C 0.6094(4) 1.2604(6) 0.7835(3) 0.0184(13) Uani 0.798(4) 1 d P A 1
C14 C 0.5994(3) 1.3813(5) 0.7722(3) 0.0206(11) Uani 0.798(4) 1 d P A 1
C15 C 0.5467(3) 1.4006(6) 0.7156(3) 0.0216(11) Uani 0.798(4) 1 d P A 1
C16 C 0.5486(3) 1.5014(5) 0.6831(4) 0.0222(12) Uani 0.798(4) 1 d P A 1
C17 C 0.5333(3) 1.4934(7) 0.6170(3) 0.0227(15) Uani 0.798(4) 1 d P A 1
C18 C 0.5158(2) 1.3864(5) 0.5888(4) 0.0213(11) Uani 0.798(4) 1 d P A 1
C19 C 0.5415(3) 1.3586(5) 0.5359(3) 0.0226(12) Uani 0.798(4) 1 d P A 1
C20 C 0.5531(3) 1.2356(5) 0.5366(2) 0.0216(11) Uani 0.798(4) 1 d P A 1
C21 C 0.6076(3) 1.1928(5) 0.5148(2) 0.0218(11) Uani 0.798(4) 1 d P A 1
C22 C 0.6455(4) 1.0976(5) 0.5480(2) 0.0198(13) Uani 0.798(4) 1 d P A 1
C23 C 0.6205(3) 1.0375(6) 0.5912(3) 0.0194(11) Uani 0.798(4) 1 d P A 1
C24 C 0.6696(2) 0.9831(4) 0.6410(2) 0.0173(10) Uani 0.798(4) 1 d P A 1
C25 C 0.7396(2) 1.0127(4) 0.6541(2) 0.0184(10) Uani 0.798(4) 1 d P A 1
C26 C 0.78905(19) 0.9812(3) 0.71632(17) 0.0236(8) Uani 1 1 d . . .
C27 C 0.81781(18) 1.0982(3) 0.74030(19) 0.0254(9) Uani 1 1 d . . .
C28 C 0.79784(19) 1.1318(3) 0.79157(19) 0.0260(9) Uani 1 1 d . . .
C29 C 0.7969(3) 1.2514(5) 0.8110(3) 0.0179(14) Uani 0.798(4) 1 d P A 1
C30 C 0.7337(4) 1.2971(6) 0.8240(3) 0.0203(15) Uani 0.798(4) 1 d P A 1
C31 C 0.7212(4) 1.4165(5) 0.8168(2) 0.0224(13) Uani 0.798(4) 1 d P A 1
C32 C 0.6517(4) 1.4599(6) 0.7924(2) 0.0222(12) Uani 0.798(4) 1 d P A 1
C33 C 0.6552(4) 1.5653(4) 0.7575(2) 0.0237(13) Uani 0.798(4) 1 d P A 1
C34 C 0.6042(4) 1.5844(6) 0.7033(3) 0.0266(15) Uani 0.798(4) 1 d P A 1
C35 C 0.6229(5) 1.6276(7) 0.6496(4) 0.024(2) Uani 0.798(4) 1 d P A 1
C36 C 0.5782(4) 1.5733(7) 0.5957(4) 0.020(2) Uani 0.798(4) 1 d P A 1
C37 C 0.6045(4) 1.5431(7) 0.5456(4) 0.021(2) Uani 0.798(4) 1 d P A 1
C38 C 0.5841(4) 1.4349(6) 0.5152(4) 0.0261(16) Uani 0.798(4) 1 d P A 1
C39 C 0.6441(4) 1.3897(6) 0.4970(2) 0.0236(13) Uani 0.798(4) 1 d P A 1
C40 C 0.6562(3) 1.2710(5) 0.4976(2) 0.0258(12) Uani 0.798(4) 1 d P A 1
C41 C 0.7249(4) 1.2255(6) 0.5247(2) 0.0226(12) Uani 0.798(4) 1 d P A 1
C42 C 0.7187(4) 1.1213(6) 0.5586(3) 0.0216(18) Uani 0.798(4) 1 d P A 1
C43 C 0.7647(6) 1.0895(12) 0.6155(4) 0.021(3) Uani 0.798(4) 1 d P A 1
C44 C 0.8212(5) 1.1717(9) 0.6396(6) 0.022(2) Uani 0.798(4) 1 d P A 1
C45 C 0.8435(3) 1.1818(6) 0.7068(3) 0.0184(14) Uani 0.798(4) 1 d P A 1
C46 C 0.8629(3) 1.2907(5) 0.7345(4) 0.0198(12) Uani 0.798(4) 1 d P A 1
C47 C 0.8380(3) 1.3262(5) 0.7857(3) 0.0222(14) Uani 0.798(4) 1 d P A 1
C48 C 0.8257(4) 1.4492(5) 0.7816(3) 0.0211(12) Uani 0.798(4) 1 d P A 1
C49 C 0.7677(4) 1.4952(5) 0.7971(3) 0.0234(13) Uani 0.798(4) 1 d P A 1
C50 C 0.7282(4) 1.5864(4) 0.7597(3) 0.0250(13) Uani 0.798(4) 1 d P A 1
C51 C 0.7460(4) 1.6284(5) 0.7089(4) 0.0294(19) Uani 0.798(4) 1 d P A 1
C52 C 0.6934(7) 1.6485(11) 0.6518(6) 0.026(3) Uani 0.798(4) 1 d P A 1
C53 C 0.7220(3) 1.6173(6) 0.6018(4) 0.024(2) Uani 0.798(4) 1 d P A 1
C54 C 0.6769(5) 1.5655(8) 0.5494(5) 0.0185(19) Uani 0.798(4) 1 d P A 1
C55 C 0.7018(4) 1.4687(6) 0.5193(3) 0.0268(18) Uani 0.798(4) 1 d P A 1
C56 C 0.7682(4) 1.4244(6) 0.5436(4) 0.0264(14) Uani 0.798(4) 1 d P A 1
C57 C 0.7793(4) 1.3010(6) 0.5477(3) 0.0245(17) Uani 0.798(4) 1 d P A 1
C58 C 0.8287(3) 1.2735(7) 0.6059(4) 0.0246(16) Uani 0.798(4) 1 d P A 1
C59 C 0.8517(3) 1.3829(6) 0.6362(5) 0.0271(15) Uani 0.798(4) 1 d P A 1
C60 C 0.8672(3) 1.3921(6) 0.6987(4) 0.0262(15) Uani 0.798(4) 1 d P A 1
C61 C 0.8450(3) 1.4916(5) 0.7271(4) 0.0259(13) Uani 0.798(4) 1 d P A 1
C62 C 0.8065(4) 1.5794(5) 0.6924(4) 0.0288(16) Uani 0.798(4) 1 d P A 1
C63 C 0.7908(4) 1.5719(6) 0.6263(4) 0.0276(18) Uani 0.798(4) 1 d P A 1
C64 C 0.8130(3) 1.4759(6) 0.5979(4) 0.0269(16) Uani 0.798(4) 1 d P A 1
C65 C 1.3735(13) -0.073(2) 1.4384(14) 0.015(6) Uiso 0.202(4) 1 d P A 2
C66 C 1.4155(13) -0.188(2) 1.4619(11) 0.020(5) Uiso 0.202(4) 1 d P A 2
C67 C 1.4641(12) -0.239(2) 1.4345(13) 0.025(5) Uiso 0.202(4) 1 d P A 2
C68 C 1.4846(11) -0.212(2) 1.3747(11) 0.027(5) Uiso 0.202(4) 1 d P A 2
C69 C 1.4640(9) -0.1156(15) 1.3357(8) 0.018(4) Uiso 0.202(4) 1 d P A 2
C70 C 1.475(2) 0.003(4) 1.3508(18) 0.031(12) Uiso 0.202(4) 1 d P A 2
C71 C 1.3695(10) 0.0432(17) 1.2774(9) 0.020(4) Uiso 0.202(4) 1 d P A 2
C72 C 1.3158(12) 0.104(2) 1.2741(10) 0.008(6) Uiso 0.202(4) 1 d P . 2
H72 H 1.3181 0.1753 1.2961 0.009 Uiso 0.202(4) 1 calc PR A 2
C73 C 1.2412(11) 0.032(2) 1.3572(10) 0.024(5) Uiso 0.202(4) 1 d P . 2
C74 C 1.242(3) -0.087(4) 1.398(2) 0.008(9) Uiso 0.202(4) 1 d P A 2
C75 C 1.3029(17) -0.106(2) 1.4431(12) 0.009(7) Uiso 0.202(4) 1 d P A 2
C76 C 1.3052(14) -0.209(2) 1.4758(11) 0.019(6) Uiso 0.202(4) 1 d P A 2
C77 C 1.3706(13) -0.260(2) 1.4879(11) 0.022(5) Uiso 0.202(4) 1 d P A 2
C78 C 1.3815(16) -0.380(3) 1.4936(12) 0.025(7) Uiso 0.202(4) 1 d P A 2
C79 C 1.427(2) -0.435(4) 1.4679(16) 0.039(12) Uiso 0.202(4) 1 d P A 2
C80 C 1.4720(12) -0.367(2) 1.4394(14) 0.015(6) Uiso 0.202(4) 1 d P A 2
C81 C 1.4871(12) -0.418(3) 1.3857(12) 0.019(5) Uiso 0.202(4) 1 d P A 2
C82 C 1.4910(11) -0.320(2) 1.3443(13) 0.020(5) Uiso 0.202(4) 1 d P A 2
C83 C 1.4699(12) -0.340(3) 1.2861(12) 0.021(5) Uiso 0.202(4) 1 d P A 2
C84 C 1.4291(14) -0.246(2) 1.2440(12) 0.015(5) Uiso 0.202(4) 1 d P A 2
C85 C 1.4297(13) -0.133(2) 1.2713(10) 0.023(5) Uiso 0.202(4) 1 d P A 2
C86 C 1.3723(9) -0.0669(16) 1.2468(8) 0.019(4) Uiso 0.202(4) 1 d P A 2
C87 C 1.3109(10) -0.1138(18) 1.2085(11) 0.021(5) Uiso 0.202(4) 1 d P . 2
C88 C 1.3089(19) -0.238(3) 1.1860(17) 0.014(8) Uiso 0.202(4) 1 d P A 2
C89 C 1.2457(15) -0.303(3) 1.1831(12) 0.013(7) Uiso 0.202(4) 1 d P A 2
C90 C 1.1901(15) -0.251(3) 1.2046(12) 0.015(8) Uiso 0.202(4) 1 d P . 2
C91 C 1.1483(13) -0.314(2) 1.2326(15) 0.014(7) Uiso 0.202(4) 1 d P A 2
C92 C 1.1327(13) -0.276(2) 1.2891(11) 0.016(7) Uiso 0.202(4) 1 d P A 2
C93 C 1.1530(15) -0.167(2) 1.3129(14) 0.013(7) Uiso 0.202(4) 1 d P . 2
C94 C 1.185(3) -0.168(5) 1.377(2) 0.040(16) Uiso 0.202(4) 1 d P A 2
C95 C 1.1858(15) -0.257(3) 1.4136(13) 0.016(8) Uiso 0.202(4) 1 d P A 2
C96 C 1.2429(17) -0.274(3) 1.4632(12) 0.011(7) Uiso 0.202(4) 1 d P A 2
C97 C 1.2532(13) -0.398(2) 1.4717(12) 0.015(7) Uiso 0.202(4) 1 d P A 2
C98 C 1.3192(18) -0.447(3) 1.4869(16) 0.021(9) Uiso 0.202(4) 1 d P A 2
C99 C 1.337(3) -0.548(4) 1.462(2) 0.035(15) Uiso 0.202(4) 1 d P A 2
C100 C 1.404(2) -0.550(4) 1.441(2) 0.018(9) Uiso 0.202(4) 1 d P A 2
C101 C 1.412(2) -0.595(3) 1.389(2) 0.019(10) Uiso 0.202(4) 1 d P A 2
C102 C 1.4626(16) -0.515(3) 1.3606(18) 0.024(8) Uiso 0.202(4) 1 d P A 2
C103 C 1.4334(15) -0.541(2) 1.2981(11) 0.014(6) Uiso 0.202(4) 1 d 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
O1A C1 1.202(8) . ?
O2A C6 1.190(9) . ?
O3A C6 1.370(8) . ?
O3A C7 1.414(6) . ?
O4A C11 1.211(6) . ?
C1 C2 1.516(8) . ?
C1 C13 1.522(9) . ?
C1 C6 3.353(12) . ?
C104 C83 1.44(4) . ?
C104 C103 1.44(3) . ?
C104 C105 1.47(3) . ?
C105 C107 1.31(3) . ?
C105 C106 1.46(4) . ?
C106 C84 1.35(3) . ?
C106 C88 1.42(5) . ?
C107 C108 1.43(3) . ?
C107 C120 1.50(4) . ?
C108 C89 1.40(4) . ?
C108 C109 1.44(3) . ?
C109 C110 1.36(3) . ?
C109 C121 1.43(4) . ?
C110 C111 1.42(3) . ?
C110 C91 1.50(4) . ?
C111 C112 1.40(4) . ?
C111 C123 1.40(4) . ?
C112 C113 1.40(4) . ?
C112 C92 1.41(4) . ?
C113 C95 1.43(4) . ?
C113 C114 1.50(4) . ?
C114 C115 1.40(4) . ?
C114 C97 1.44(3) . ?
C115 C123 1.44(3) . ?
C115 C116 1.60(4) . ?
C116 C99 1.35(4) . ?
C116 C117 1.53(7) . ?
C117 C118 1.31(5) . ?
C117 C122 1.50(8) . ?
C118 C101 1.39(4) . ?
C118 C119 1.52(4) . ?
C119 C103 1.40(3) . ?
C119 C120 1.40(3) . ?
C120 C121 1.44(3) . ?
C121 C122 1.36(4) . ?
C122 C123 1.44(3) . ?
C124 N2 1.344(5) . ?
C124 C125 1.388(6) . ?
C124 C10 1.526(6) . ?
C125 C126 1.386(6) . ?
C126 C127 1.383(6) . ?
C127 C128 1.387(6) . ?
C128 N2 1.353(5) . ?
C128 C129 1.538(6) . ?
C129 C131 1.516(7) . ?
C129 C130 1.523(6) . ?
C129 C132 1.538(7) . ?
C133 N1 1.330(5) . ?
C133 C134 1.379(6) . ?
C133 C26 1.542(5) . ?
C134 C135 1.370(6) . ?
C135 C136 1.391(7) . ?
C136 C137 1.405(6) . ?
C137 N1 1.346(5) . ?
C137 C138 1.501(6) . ?
C138 C140 1.534(6) . ?
C138 C139 1.543(6) . ?
C138 C141 1.545(7) . ?
C142 Cl1 1.732(6) . ?
C142 Cl2 1.737(6) . ?
C2 C3 1.401(8) . ?
C2 C15 1.452(8) . ?
C3 C18 1.465(8) . ?
C3 C4 1.513(8) . ?
C3 C9 6.376(6) . ?
O4B C73 1.23(3) . ?
O1B C65 1.15(3) . ?
O3B C71 1.40(3) . ?
O3B C70 1.40(5) . ?
O2B C70 1.25(5) . ?
N3 N4 1.09(2) . ?
C4 C5 1.406(7) . ?
C4 C20 1.441(7) . ?
C5 C23 1.443(7) . ?
C5 C6 1.482(9) . ?
C7 C8 1.326(8) . ?
C7 C24 1.449(6) . ?
C8 C9 1.510(7) . ?
C9 C72 1.48(2) 3_767 ?
C9 C26 1.575(5) . ?
C9 C10 1.597(5) . ?
C10 C28 1.493(5) . ?
C10 C87 1.57(2) 3_767 ?
C10 C11 1.576(6) . ?
C11 C12 1.484(9) . ?
C12 C13 1.395(10) . ?
C12 C30 1.457(10) . ?
C13 C14 1.421(8) . ?
C14 C32 1.367(9) . ?
C14 C15 1.446(8) . ?
C15 C16 1.379(8) . ?
C16 C17 1.441(9) . ?
C16 C34 1.446(9) . ?
C17 C18 1.389(10) . ?
C17 C36 1.450(10) . ?
C18 C19 1.448(8) . ?
C19 C38 1.383(11) . ?
C19 C20 1.436(8) . ?
C20 C21 1.393(8) . ?
C21 C22 1.428(7) . ?
C21 C40 1.447(8) . ?
C22 C23 1.386(8) . ?
C22 C42 1.443(9) . ?
C23 C24 1.429(7) . ?
C24 C25 1.393(6) . ?
C25 C43 1.419(12) . ?
C25 C26 1.533(6) . ?
C26 C27 1.509(5) . ?
C26 C73 1.62(2) 3_767 ?
C27 C28 1.369(6) . ?
C27 C45 1.399(7) . ?
C27 C93 1.66(3) 3_767 ?
C28 C90 1.39(3) 3_767 ?
C28 C29 1.448(8) . ?
C29 C47 1.407(9) . ?
C29 C30 1.464(10) . ?
C30 C31 1.401(9) . ?
C31 C32 1.441(9) . ?
C31 C49 1.447(9) . ?
C32 C33 1.457(9) . ?
C33 C34 1.390(9) . ?
C33 C50 1.465(8) . ?
C34 C35 1.443(10) . ?
C35 C52 1.415(16) . ?
C35 C36 1.449(12) . ?
C36 C37 1.403(12) . ?
C37 C38 1.430(12) . ?
C37 C54 1.448(12) . ?
C38 C39 1.457(10) . ?
C39 C40 1.390(8) . ?
C39 C55 1.451(10) . ?
C40 C41 1.446(8) . ?
C41 C57 1.384(10) . ?
C41 C42 1.444(10) . ?
C42 C43 1.418(13) . ?
C43 C44 1.466(17) . ?
C44 C58 1.425(12) . ?
C44 C45 1.468(14) . ?
C45 C46 1.410(10) . ?
C46 C47 1.427(9) . ?
C46 C60 1.434(8) . ?
C47 C48 1.438(9) . ?
C48 C49 1.396(9) . ?
C48 C61 1.461(9) . ?
C49 C50 1.446(8) . ?
C50 C51 1.369(11) . ?
C51 C52 1.453(15) . ?
C51 C62 1.462(10) . ?
C52 C53 1.431(16) . ?
C53 C54 1.417(12) . ?
C53 C63 1.438(10) . ?
C54 C55 1.458(12) . ?
C55 C56 1.393(10) . ?
C56 C57 1.438(9) . ?
C56 C64 1.443(10) . ?
C57 C58 1.456(10) . ?
C58 C59 1.450(12) . ?
C59 C60 1.364(12) . ?
C59 C64 1.464(9) . ?
C60 C61 1.438(10) . ?
C61 C62 1.384(9) . ?
C62 C63 1.442(11) . ?
C63 C64 1.406(11) . ?
C65 C75 1.49(3) . ?
C65 C66 1.58(4) . ?
C66 C67 1.41(3) . ?
C66 C77 1.45(3) . ?
C67 C80 1.48(4) . ?
C67 C68 1.54(4) . ?
C68 C69 1.41(3) . ?
C68 C82 1.44(3) . ?
C69 C70 1.41(4) . ?
C69 C85 1.45(3) . ?
C71 C72 1.27(3) . ?
C71 C86 1.45(3) . ?
C72 C9 1.48(2) 3_767 ?
C73 C26 1.62(2) 3_767 ?
C73 C74 1.64(5) . ?
C74 C75 1.38(6) . ?
C74 C94 1.46(8) . ?
C75 C76 1.39(4) . ?
C76 C77 1.39(3) . ?
C76 C96 1.41(3) . ?
C77 C78 1.40(4) . ?
C78 C79 1.36(4) . ?
C78 C98 1.43(4) . ?
C79 C80 1.46(4) . ?
C79 C100 1.49(6) . ?
C80 C81 1.44(3) . ?
C81 C102 1.30(4) . ?
C81 C82 1.47(4) . ?
C82 C83 1.29(4) . ?
C83 C84 1.53(3) . ?
C84 C85 1.43(3) . ?
C85 C86 1.37(3) . ?
C86 C87 1.41(3) . ?
C87 C88 1.51(4) . ?
C87 C10 1.57(2) 3_767 ?
C88 C89 1.45(4) . ?
C89 C90 1.45(3) . ?
C90 C91 1.38(4) . ?
C90 C28 1.39(3) 3_767 ?
C91 C92 1.45(3) . ?
C92 C93 1.39(4) . ?
C93 C94 1.42(5) . ?
C93 C27 1.66(3) 3_767 ?
C94 C95 1.31(7) . ?
C95 C96 1.39(4) . ?
C96 C97 1.44(4) . ?
C97 C98 1.39(4) . ?
C98 C99 1.38(6) . ?
C99 C100 1.52(6) . ?
C100 C101 1.33(5) . ?
C101 C102 1.61(5) . ?
C102 C103 1.41(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 O3A C7 118.7(4) . . ?
O1A C1 C2 126.3(5) . . ?
O1A C1 C13 128.7(5) . . ?
C2 C1 C13 104.7(5) . . ?
O1A C1 C6 39.4(3) . . ?
C2 C1 C6 94.2(4) . . ?
C13 C1 C6 144.3(4) . . ?
C83 C104 C103 117(2) . . ?
C83 C104 C105 111(2) . . ?
C103 C104 C105 118(2) . . ?
C107 C105 C106 121(3) . . ?
C107 C105 C104 121(3) . . ?
C106 C105 C104 105(3) . . ?
C84 C106 C88 121(3) . . ?
C84 C106 C105 111(3) . . ?
C88 C106 C105 118(3) . . ?
C105 C107 C108 122(3) . . ?
C105 C107 C120 122(3) . . ?
C108 C107 C120 107(2) . . ?
C89 C108 C107 121(3) . . ?
C89 C108 C109 119(2) . . ?
C107 C108 C109 108(3) . . ?
C110 C109 C121 115(2) . . ?
C110 C109 C108 124(3) . . ?
C121 C109 C108 110(3) . . ?
C109 C110 C111 125(2) . . ?
C109 C110 C91 117(3) . . ?
C111 C110 C91 108(2) . . ?
C112 C111 C123 123(3) . . ?
C112 C111 C110 107(2) . . ?
C123 C111 C110 119(2) . . ?
C113 C112 C111 119(3) . . ?
C113 C112 C92 115(3) . . ?
C111 C112 C92 112(3) . . ?
C112 C113 C95 121(3) . . ?
C112 C113 C114 122(3) . . ?
C95 C113 C114 106(2) . . ?
C115 C114 C97 125(3) . . ?
C115 C114 C113 116(3) . . ?
C97 C114 C113 106(2) . . ?
C114 C115 C123 122(3) . . ?
C114 C115 C116 112(3) . . ?
C123 C115 C116 111(2) . . ?
C99 C116 C117 134(4) . . ?
C99 C116 C115 121(3) . . ?
C117 C116 C115 98(4) . . ?
C118 C117 C122 116(5) . . ?
C118 C117 C116 112(5) . . ?
C122 C117 C116 113(5) . . ?
C117 C118 C101 124(5) . . ?
C117 C118 C119 125(4) . . ?
C101 C118 C119 100(3) . . ?
C103 C119 C120 123(2) . . ?
C103 C119 C118 111(2) . . ?
C120 C119 C118 113(2) . . ?
C119 C120 C121 127(2) . . ?
C119 C120 C107 116(3) . . ?
C121 C120 C107 107(2) . . ?
C122 C121 C109 122(3) . . ?
C122 C121 C120 114(2) . . ?
C109 C121 C120 107(2) . . ?
C121 C122 C123 121(3) . . ?
C121 C122 C117 126(3) . . ?
C123 C122 C117 106(3) . . ?
C111 C123 C122 117(2) . . ?
C111 C123 C115 119(3) . . ?
C122 C123 C115 110(2) . . ?
N2 C124 C125 122.5(4) . . ?
N2 C124 C10 114.9(3) . . ?
C125 C124 C10 122.6(4) . . ?
C126 C125 C124 118.3(4) . . ?
C127 C126 C125 119.5(4) . . ?
C126 C127 C128 119.3(4) . . ?
N2 C128 C127 121.3(4) . . ?
N2 C128 C129 115.1(4) . . ?
C127 C128 C129 123.5(4) . . ?
C131 C129 C130 108.9(4) . . ?
C131 C129 C128 111.4(4) . . ?
C130 C129 C128 110.0(3) . . ?
C131 C129 C132 110.1(4) . . ?
C130 C129 C132 109.7(4) . . ?
C128 C129 C132 106.7(4) . . ?
N1 C133 C134 124.3(4) . . ?
N1 C133 C26 113.6(3) . . ?
C134 C133 C26 122.1(4) . . ?
C135 C134 C133 117.1(4) . . ?
C134 C135 C136 120.0(4) . . ?
C135 C136 C137 119.7(4) . . ?
N1 C137 C136 119.5(4) . . ?
N1 C137 C138 115.6(3) . . ?
C136 C137 C138 124.9(4) . . ?
C137 C138 C140 111.5(4) . . ?
C137 C138 C139 108.8(4) . . ?
C140 C138 C139 109.1(4) . . ?
C137 C138 C141 109.5(3) . . ?
C140 C138 C141 109.3(4) . . ?
C139 C138 C141 108.6(4) . . ?
Cl1 C142 Cl2 112.0(3) . . ?
C133 N1 C137 119.5(3) . . ?
C3 C2 C15 119.3(5) . . ?
C3 C2 C1 128.4(5) . . ?
C15 C2 C1 106.3(6) . . ?
C124 N2 C128 119.0(4) . . ?
C2 C3 C18 116.4(6) . . ?
C2 C3 C4 128.1(5) . . ?
C18 C3 C4 106.5(5) . . ?
C2 C3 C9 66.7(3) . . ?
C18 C3 C9 129.8(3) . . ?
C4 C3 C9 63.7(3) . . ?
C71 O3B C70 115(2) . . ?
C5 C4 C20 117.1(4) . . ?
C5 C4 C3 130.6(5) . . ?
C20 C4 C3 105.6(5) . . ?
C4 C5 C23 117.0(5) . . ?
C4 C5 C6 128.7(5) . . ?
C23 C5 C6 114.4(5) . . ?
O2A C6 O3A 119.2(6) . . ?
O2A C6 C5 123.3(7) . . ?
O3A C6 C5 116.0(6) . . ?
O2A C6 C1 105.3(6) . . ?
O3A C6 C1 100.1(5) . . ?
C5 C6 C1 76.0(4) . . ?
C8 C7 O3A 118.8(5) . . ?
C8 C7 C24 125.2(5) . . ?
O3A C7 C24 116.0(4) . . ?
C7 C8 C9 118.9(5) . . ?
C72 C9 C8 18.3(7) 3_767 . ?
C72 C9 C26 101.9(9) 3_767 . ?
C8 C9 C26 118.6(4) . . ?
C72 C9 C10 124.5(9) 3_767 . ?
C8 C9 C10 109.4(4) . . ?
C26 C9 C10 106.7(3) . . ?
C72 C9 C3 57.7(10) 3_767 . ?
C8 C9 C3 57.3(3) . . ?
C26 C9 C3 83.8(2) . . ?
C10 C9 C3 79.1(2) . . ?
C28 C10 C124 112.5(3) . . ?
C28 C10 C87 90.7(8) . 3_767 ?
C124 C10 C87 131.4(9) . 3_767 ?
C28 C10 C11 111.6(3) . . ?
C124 C10 C11 103.5(3) . . ?
C87 C10 C11 28.8(8) 3_767 . ?
C28 C10 C9 103.5(3) . . ?
C124 C10 C9 109.7(3) . . ?
C87 C10 C9 104.9(8) 3_767 . ?
C11 C10 C9 116.3(3) . . ?
O4A C11 C12 119.9(5) . . ?
O4A C11 C10 123.6(4) . . ?
C12 C11 C10 116.5(5) . . ?
C13 C12 C30 118.0(7) . . ?
C13 C12 C11 121.3(7) . . ?
C30 C12 C11 120.2(6) . . ?
C12 C13 C14 120.3(7) . . ?
C12 C13 C1 126.1(6) . . ?
C14 C13 C1 107.1(6) . . ?
C32 C14 C13 122.0(6) . . ?
C32 C14 C15 120.6(5) . . ?
C13 C14 C15 110.2(6) . . ?
C16 C15 C14 118.9(7) . . ?
C16 C15 C2 123.6(6) . . ?
C14 C15 C2 108.8(5) . . ?
C15 C16 C17 117.7(6) . . ?
C15 C16 C34 120.9(6) . . ?
C17 C16 C34 108.0(5) . . ?
C18 C17 C16 119.3(6) . . ?
C18 C17 C36 121.2(7) . . ?
C16 C17 C36 108.3(7) . . ?
C17 C18 C19 118.1(5) . . ?
C17 C18 C3 123.5(7) . . ?
C19 C18 C3 109.0(6) . . ?
C38 C19 C20 121.4(6) . . ?
C38 C19 C18 120.8(6) . . ?
C20 C19 C18 107.4(6) . . ?
C21 C20 C19 118.9(5) . . ?
C21 C20 C4 123.2(5) . . ?
C19 C20 C4 110.9(6) . . ?
C20 C21 C22 116.3(6) . . ?
C20 C21 C40 120.7(5) . . ?
C22 C21 C40 108.6(5) . . ?
C23 C22 C21 121.0(6) . . ?
C23 C22 C42 120.6(5) . . ?
C21 C22 C42 108.5(6) . . ?
C22 C23 C24 118.2(5) . . ?
C22 C23 C5 120.6(5) . . ?
C24 C23 C5 115.6(5) . . ?
C25 C24 C23 120.4(5) . . ?
C25 C24 C7 121.2(4) . . ?
C23 C24 C7 115.9(4) . . ?
C24 C25 C43 120.9(6) . . ?
C24 C25 C26 120.6(4) . . ?
C43 C25 C26 117.6(6) . . ?
C27 C26 C25 102.2(3) . . ?
C27 C26 C133 110.1(3) . . ?
C25 C26 C133 116.5(4) . . ?
C27 C26 C9 103.6(3) . . ?
C25 C26 C9 113.5(3) . . ?
C133 C26 C9 109.8(3) . . ?
C27 C26 C73 117.3(9) . 3_767 ?
C25 C26 C73 26.5(8) . 3_767 ?
C133 C26 C73 90.3(9) . 3_767 ?
C9 C26 C73 124.5(8) . 3_767 ?
C28 C27 C45 119.0(5) . . ?
C28 C27 C26 112.8(3) . . ?
C45 C27 C26 125.5(5) . . ?
C28 C27 C93 134.9(9) . 3_767 ?
C45 C27 C93 16.1(9) . 3_767 ?
C26 C27 C93 109.8(10) . 3_767 ?
C27 C28 C90 104.4(11) . 3_767 ?
C27 C28 C29 123.5(4) . . ?
C90 C28 C29 19.5(9) 3_767 . ?
C27 C28 C10 113.2(3) . . ?
C90 C28 C10 140.3(11) 3_767 . ?
C29 C28 C10 120.9(4) . . ?
C47 C29 C28 114.1(6) . . ?
C47 C29 C30 118.8(6) . . ?
C28 C29 C30 118.7(5) . . ?
C31 C30 C12 119.3(7) . . ?
C31 C30 C29 117.9(7) . . ?
C12 C30 C29 115.5(6) . . ?
C30 C31 C32 120.7(6) . . ?
C30 C31 C49 122.9(7) . . ?
C32 C31 C49 107.1(6) . . ?
C14 C32 C31 118.2(5) . . ?
C14 C32 C33 120.8(5) . . ?
C31 C32 C33 108.7(7) . . ?
C34 C33 C32 118.6(7) . . ?
C34 C33 C50 120.0(6) . . ?
C32 C33 C50 107.8(5) . . ?
C33 C34 C35 120.1(7) . . ?
C33 C34 C16 120.0(6) . . ?
C35 C34 C16 107.8(6) . . ?
C52 C35 C34 119.9(9) . . ?
C52 C35 C36 119.6(9) . . ?
C34 C35 C36 108.4(8) . . ?
C37 C36 C35 120.2(7) . . ?
C37 C36 C17 119.8(9) . . ?
C35 C36 C17 107.3(7) . . ?
C36 C37 C38 118.8(8) . . ?
C36 C37 C54 118.7(9) . . ?
C38 C37 C54 109.9(8) . . ?
C19 C38 C37 121.2(8) . . ?
C19 C38 C39 119.1(7) . . ?
C37 C38 C39 107.1(7) . . ?
C40 C39 C55 119.6(6) . . ?
C40 C39 C38 120.2(7) . . ?
C55 C39 C38 108.3(6) . . ?
C39 C40 C41 120.3(6) . . ?
C39 C40 C21 119.3(6) . . ?
C41 C40 C21 106.7(5) . . ?
C57 C41 C42 119.5(5) . . ?
C57 C41 C40 119.7(6) . . ?
C42 C41 C40 108.9(7) . . ?
C43 C42 C22 119.4(7) . . ?
C43 C42 C41 124.6(8) . . ?
C22 C42 C41 106.9(6) . . ?
C42 C43 C25 117.9(9) . . ?
C42 C43 C44 115.1(10) . . ?
C25 C43 C44 122.4(8) . . ?
C58 C44 C43 120.7(10) . . ?
C58 C44 C45 115.9(9) . . ?
C43 C44 C45 115.6(8) . . ?
C27 C45 C46 118.2(6) . . ?
C27 C45 C44 116.4(6) . . ?
C46 C45 C44 120.1(7) . . ?
C45 C46 C47 119.9(5) . . ?
C45 C46 C60 121.8(7) . . ?
C47 C46 C60 107.7(6) . . ?
C29 C47 C46 120.7(6) . . ?
C29 C47 C48 121.5(7) . . ?
C46 C47 C48 108.7(6) . . ?
C49 C48 C47 119.8(6) . . ?
C49 C48 C61 119.8(6) . . ?
C47 C48 C61 107.8(7) . . ?
C48 C49 C50 119.5(7) . . ?
C48 C49 C31 118.4(5) . . ?
C50 C49 C31 109.8(6) . . ?
C51 C50 C49 121.6(7) . . ?
C51 C50 C33 120.0(6) . . ?
C49 C50 C33 106.6(6) . . ?
C50 C51 C52 120.8(9) . . ?
C50 C51 C62 118.8(6) . . ?
C52 C51 C62 106.9(9) . . ?
C35 C52 C53 121.5(12) . . ?
C35 C52 C51 119.2(11) . . ?
C53 C52 C51 108.2(10) . . ?
C54 C53 C52 117.7(9) . . ?
C54 C53 C63 120.3(8) . . ?
C52 C53 C63 108.8(9) . . ?
C53 C54 C37 122.2(9) . . ?
C53 C54 C55 119.3(8) . . ?
C37 C54 C55 106.8(9) . . ?
C56 C55 C39 119.6(7) . . ?
C56 C55 C54 120.1(8) . . ?
C39 C55 C54 107.8(7) . . ?
C55 C56 C57 120.2(8) . . ?
C55 C56 C64 120.0(6) . . ?
C57 C56 C64 107.6(6) . . ?
C41 C57 C56 120.4(7) . . ?
C41 C57 C58 118.8(6) . . ?
C56 C57 C58 109.3(7) . . ?
C44 C58 C59 122.0(8) . . ?
C44 C58 C57 121.2(8) . . ?
C59 C58 C57 107.0(6) . . ?
C60 C59 C58 120.8(6) . . ?
C60 C59 C64 119.7(7) . . ?
C58 C59 C64 107.8(7) . . ?
C59 C60 C46 119.0(7) . . ?
C59 C60 C61 120.4(6) . . ?
C46 C60 C61 109.3(7) . . ?
C62 C61 C60 121.5(7) . . ?
C62 C61 C48 119.3(7) . . ?
C60 C61 C48 106.5(6) . . ?
C61 C62 C63 118.7(7) . . ?
C61 C62 C51 120.9(7) . . ?
C63 C62 C51 108.1(6) . . ?
C64 C63 C53 119.6(8) . . ?
C64 C63 C62 120.4(7) . . ?
C53 C63 C62 107.8(6) . . ?
C63 C64 C56 120.7(6) . . ?
C63 C64 C59 119.3(7) . . ?
C56 C64 C59 108.3(6) . . ?
O1B C65 C75 135(2) . . ?
O1B C65 C66 124(2) . . ?
C75 C65 C66 101(2) . . ?
C67 C66 C77 120(2) . . ?
C67 C66 C65 125(2) . . ?
C77 C66 C65 107(2) . . ?
C66 C67 C80 117(3) . . ?
C66 C67 C68 132(2) . . ?
C80 C67 C68 103(2) . . ?
C69 C68 C82 115.6(19) . . ?
C69 C68 C67 127(2) . . ?
C82 C68 C67 108(2) . . ?
C68 C69 C70 127(2) . . ?
C68 C69 C85 120(2) . . ?
C70 C69 C85 112(2) . . ?
O2B C70 O3B 115(4) . . ?
O2B C70 C69 127(4) . . ?
O3B C70 C69 118(3) . . ?
C72 C71 O3B 119(2) . . ?
C72 C71 C86 126(2) . . ?
O3B C71 C86 114.6(17) . . ?
C71 C72 C9 117(2) . 3_767 ?
O4B C73 C26 123.9(17) . 3_767 ?
O4B C73 C74 120(2) . . ?
C26 C73 C74 116(2) 3_767 . ?
C75 C74 C94 127(4) . . ?
C75 C74 C73 116(3) . . ?
C94 C74 C73 117(4) . . ?
C74 C75 C76 116(3) . . ?
C74 C75 C65 124(3) . . ?
C76 C75 C65 111(3) . . ?
C75 C76 C77 111(2) . . ?
C75 C76 C96 116(3) . . ?
C77 C76 C96 123(3) . . ?
C76 C77 C78 123(3) . . ?
C76 C77 C66 109(2) . . ?
C78 C77 C66 121(2) . . ?
C79 C78 C77 122(3) . . ?
C79 C78 C98 111(3) . . ?
C77 C78 C98 114(3) . . ?
C78 C79 C80 119(4) . . ?
C78 C79 C100 115(4) . . ?
C80 C79 C100 118(3) . . ?
C81 C80 C79 115(3) . . ?
C81 C80 C67 113(3) . . ?
C79 C80 C67 120(3) . . ?
C102 C81 C80 126(3) . . ?
C102 C81 C82 117(3) . . ?
C80 C81 C82 106(2) . . ?
C83 C82 C68 126(3) . . ?
C83 C82 C81 117(2) . . ?
C68 C82 C81 109(2) . . ?
C82 C83 C104 126(2) . . ?
C82 C83 C84 119(3) . . ?
C104 C83 C84 103(2) . . ?
C106 C84 C85 125(2) . . ?
C106 C84 C83 110(3) . . ?
C85 C84 C83 116(3) . . ?
C86 C85 C84 115(2) . . ?
C86 C85 C69 117(2) . . ?
C84 C85 C69 120(2) . . ?
C85 C86 C87 122.4(19) . . ?
C85 C86 C71 115.3(18) . . ?
C87 C86 C71 119.5(16) . . ?
C86 C87 C88 121(2) . . ?
C86 C87 C10 122.5(15) . 3_767 ?
C88 C87 C10 116.7(19) . 3_767 ?
C106 C88 C89 121(3) . . ?
C106 C88 C87 113(3) . . ?
C89 C88 C87 117(3) . . ?
C108 C89 C90 118(3) . . ?
C108 C89 C88 116(3) . . ?
C90 C89 C88 120(3) . . ?
C91 C90 C28 127(2) . 3_767 ?
C91 C90 C89 123(3) . . ?
C28 C90 C89 107(2) 3_767 . ?
C90 C91 C92 122(3) . . ?
C90 C91 C110 119(3) . . ?
C92 C91 C110 106(3) . . ?
C93 C92 C112 126(3) . . ?
C93 C92 C91 120(2) . . ?
C112 C92 C91 107(2) . . ?
C92 C93 C94 113(4) . . ?
C92 C93 C27 105.9(19) . 3_767 ?
C94 C93 C27 126(3) . 3_767 ?
C95 C94 C93 125(5) . . ?
C95 C94 C74 115(5) . . ?
C93 C94 C74 115(4) . . ?
C94 C95 C96 120(4) . . ?
C94 C95 C113 119(3) . . ?
C96 C95 C113 111(3) . . ?
C95 C96 C76 125(3) . . ?
C95 C96 C97 108(3) . . ?
C76 C96 C97 114(2) . . ?
C98 C97 C96 122(3) . . ?
C98 C97 C114 116(3) . . ?
C96 C97 C114 109(2) . . ?
C99 C98 C97 125(4) . . ?
C99 C98 C78 100(3) . . ?
C97 C98 C78 123(3) . . ?
C116 C99 C98 120(4) . . ?
C116 C99 C100 104(4) . . ?
C98 C99 C100 119(4) . . ?
C101 C100 C79 128(4) . . ?
C101 C100 C99 127(4) . . ?
C79 C100 C99 94(3) . . ?
C100 C101 C118 121(4) . . ?
C100 C101 C102 111(4) . . ?
C118 C101 C102 116(3) . . ?
C81 C102 C103 129(3) . . ?
C81 C102 C101 122(3) . . ?
C103 C102 C101 98(3) . . ?
C119 C103 C102 115(2) . . ?
C119 C103 C104 120(2) . . ?
C102 C103 C104 113(3) . . ?

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
C83 C104 C105 C107 -137(3) . . . . ?
C103 C104 C105 C107 2(4) . . . . ?
C83 C104 C105 C106 5(3) . . . . ?
C103 C104 C105 C106 144(2) . . . . ?
C107 C105 C106 C84 142(3) . . . . ?
C104 C105 C106 C84 0(3) . . . . ?
C107 C105 C106 C88 -3(4) . . . . ?
C104 C105 C106 C88 -145(3) . . . . ?
C106 C105 C107 C108 3(4) . . . . ?
C104 C105 C107 C108 139(3) . . . . ?
C106 C105 C107 C120 -140(3) . . . . ?
C104 C105 C107 C120 -4(4) . . . . ?
C105 C107 C108 C89 -7(4) . . . . ?
C120 C107 C108 C89 141(2) . . . . ?
C105 C107 C108 C109 -148(3) . . . . ?
C120 C107 C108 C109 -1(3) . . . . ?
C89 C108 C109 C110 -1(4) . . . . ?
C107 C108 C109 C110 142(3) . . . . ?
C89 C108 C109 C121 -144(2) . . . . ?
C107 C108 C109 C121 -2(3) . . . . ?
C121 C109 C110 C111 5(4) . . . . ?
C108 C109 C110 C111 -137(3) . . . . ?
C121 C109 C110 C91 146(2) . . . . ?
C108 C109 C110 C91 5(4) . . . . ?
C109 C110 C111 C112 144(3) . . . . ?
C91 C110 C111 C112 -1(3) . . . . ?
C109 C110 C111 C123 0(4) . . . . ?
C91 C110 C111 C123 -145(2) . . . . ?
C123 C111 C112 C113 3(4) . . . . ?
C110 C111 C112 C113 -139(3) . . . . ?
C123 C111 C112 C92 141(3) . . . . ?
C110 C111 C112 C92 -1(3) . . . . ?
C111 C112 C113 C95 137(3) . . . . ?
C92 C112 C113 C95 -1(4) . . . . ?
C111 C112 C113 C114 -1(5) . . . . ?
C92 C112 C113 C114 -139(3) . . . . ?
C112 C113 C114 C115 -1(4) . . . . ?
C95 C113 C114 C115 -145(3) . . . . ?
C112 C113 C114 C97 144(3) . . . . ?
C95 C113 C114 C97 0(3) . . . . ?
C97 C114 C115 C123 -135(3) . . . . ?
C113 C114 C115 C123 2(4) . . . . ?
C97 C114 C115 C116 1(4) . . . . ?
C113 C114 C115 C116 138(3) . . . . ?
C114 C115 C116 C99 3(5) . . . . ?
C123 C115 C116 C99 144(4) . . . . ?
C114 C115 C116 C117 -150(3) . . . . ?
C123 C115 C116 C117 -9(4) . . . . ?
C99 C116 C117 C118 -1(8) . . . . ?
C115 C116 C117 C118 147(4) . . . . ?
C99 C116 C117 C122 -134(5) . . . . ?
C115 C116 C117 C122 14(4) . . . . ?
C122 C117 C118 C101 132(5) . . . . ?
C116 C117 C118 C101 1(7) . . . . ?
C122 C117 C118 C119 -3(8) . . . . ?
C116 C117 C118 C119 -135(4) . . . . ?
C117 C118 C119 C103 144(5) . . . . ?
C101 C118 C119 C103 0(4) . . . . ?
C117 C118 C119 C120 1(6) . . . . ?
C101 C118 C119 C120 -143(3) . . . . ?
C103 C119 C120 C121 -138(3) . . . . ?
C118 C119 C120 C121 -1(4) . . . . ?
C103 C119 C120 C107 3(3) . . . . ?
C118 C119 C120 C107 141(2) . . . . ?
C105 C107 C120 C119 2(4) . . . . ?
C108 C107 C120 C119 -146(2) . . . . ?
C105 C107 C120 C121 150(3) . . . . ?
C108 C107 C120 C121 2(3) . . . . ?
C110 C109 C121 C122 -10(4) . . . . ?
C108 C109 C121 C122 137(3) . . . . ?
C110 C109 C121 C120 -144(2) . . . . ?
C108 C109 C121 C120 3(3) . . . . ?
C119 C120 C121 C122 2(4) . . . . ?
C107 C120 C121 C122 -141(2) . . . . ?
C119 C120 C121 C109 141(2) . . . . ?
C107 C120 C121 C109 -3(3) . . . . ?
C109 C121 C122 C123 10(4) . . . . ?
C120 C121 C122 C123 142(3) . . . . ?
C109 C121 C122 C117 -136(4) . . . . ?
C120 C121 C122 C117 -5(5) . . . . ?
C118 C117 C122 C121 5(8) . . . . ?
C116 C117 C122 C121 136(4) . . . . ?
C118 C117 C122 C123 -145(5) . . . . ?
C116 C117 C122 C123 -15(5) . . . . ?
C112 C111 C123 C122 -137(3) . . . . ?
C110 C111 C123 C122 0(4) . . . . ?
C112 C111 C123 C115 -2(4) . . . . ?
C110 C111 C123 C115 136(3) . . . . ?
C121 C122 C123 C111 -5(4) . . . . ?
C117 C122 C123 C111 147(3) . . . . ?
C121 C122 C123 C115 -145(3) . . . . ?
C117 C122 C123 C115 8(4) . . . . ?
C114 C115 C123 C111 -1(4) . . . . ?
C116 C115 C123 C111 -137(2) . . . . ?
C114 C115 C123 C122 138(3) . . . . ?
C116 C115 C123 C122 1(3) . . . . ?
N2 C124 C125 C126 0.6(6) . . . . ?
C10 C124 C125 C126 -177.9(4) . . . . ?
C124 C125 C126 C127 -1.3(6) . . . . ?
C125 C126 C127 C128 1.6(7) . . . . ?
C126 C127 C128 N2 -1.2(7) . . . . ?
C126 C127 C128 C129 -177.2(4) . . . . ?
N2 C128 C129 C131 160.6(4) . . . . ?
C127 C128 C129 C131 -23.1(6) . . . . ?
N2 C128 C129 C130 39.7(6) . . . . ?
C127 C128 C129 C130 -144.0(5) . . . . ?
N2 C128 C129 C132 -79.3(4) . . . . ?
C127 C128 C129 C132 97.0(5) . . . . ?
N1 C133 C134 C135 0.4(6) . . . . ?
C26 C133 C134 C135 178.9(4) . . . . ?
C133 C134 C135 C136 -0.3(6) . . . . ?
C134 C135 C136 C137 1.2(6) . . . . ?
C135 C136 C137 N1 -2.3(6) . . . . ?
C135 C136 C137 C138 178.5(4) . . . . ?
N1 C137 C138 C140 173.1(4) . . . . ?
C136 C137 C138 C140 -7.7(6) . . . . ?
N1 C137 C138 C139 -66.5(5) . . . . ?
C136 C137 C138 C139 112.8(5) . . . . ?
N1 C137 C138 C141 52.1(5) . . . . ?
C136 C137 C138 C141 -128.7(4) . . . . ?
C134 C133 N1 C137 -1.5(6) . . . . ?
C26 C133 N1 C137 179.9(3) . . . . ?
C136 C137 N1 C133 2.4(6) . . . . ?
C138 C137 N1 C133 -178.3(4) . . . . ?
O1A C1 C2 C3 -39.4(7) . . . . ?
C13 C1 C2 C3 134.9(5) . . . . ?
C6 C1 C2 C3 -14.5(5) . . . . ?
O1A C1 C2 C15 168.6(5) . . . . ?
C13 C1 C2 C15 -17.1(5) . . . . ?
C6 C1 C2 C15 -166.6(3) . . . . ?
C125 C124 N2 C128 -0.2(5) . . . . ?
C10 C124 N2 C128 178.4(3) . . . . ?
C127 C128 N2 C124 0.5(6) . . . . ?
C129 C128 N2 C124 176.9(3) . . . . ?
C15 C2 C3 C18 -3.0(6) . . . . ?
C1 C2 C3 C18 -151.9(5) . . . . ?
C15 C2 C3 C4 139.5(5) . . . . ?
C1 C2 C3 C4 -9.5(8) . . . . ?
C15 C2 C3 C9 121.4(4) . . . . ?
C1 C2 C3 C9 -27.5(4) . . . . ?
C2 C3 C4 C5 11.6(8) . . . . ?
C18 C3 C4 C5 156.8(5) . . . . ?
C9 C3 C4 C5 30.1(4) . . . . ?
C2 C3 C4 C20 -138.0(5) . . . . ?
C18 C3 C4 C20 7.2(5) . . . . ?
C9 C3 C4 C20 -119.5(3) . . . . ?
C20 C4 C5 C23 24.4(6) . . . . ?
C3 C4 C5 C23 -122.4(6) . . . . ?
C20 C4 C5 C6 -156.6(6) . . . . ?
C3 C4 C5 C6 56.6(8) . . . . ?
C7 O3A C6 O2A -172.4(8) . . . . ?
C7 O3A C6 C5 20.8(10) . . . . ?
C7 O3A C6 C1 -58.4(6) . . . . ?
C4 C5 C6 O2A 37.8(13) . . . . ?
C23 C5 C6 O2A -143.2(9) . . . . ?
C4 C5 C6 O3A -156.0(6) . . . . ?
C23 C5 C6 O3A 23.1(9) . . . . ?
C4 C5 C6 C1 -61.5(5) . . . . ?
C23 C5 C6 C1 117.6(4) . . . . ?
O1A C1 C6 O2A 71.1(7) . . . . ?
C2 C1 C6 O2A -76.7(6) . . . . ?
C13 C1 C6 O2A 160.8(6) . . . . ?
O1A C1 C6 O3A -53.2(5) . . . . ?
C2 C1 C6 O3A 159.1(4) . . . . ?
C13 C1 C6 O3A 36.5(8) . . . . ?
O1A C1 C6 C5 -167.7(6) . . . . ?
C2 C1 C6 C5 44.6(4) . . . . ?
C13 C1 C6 C5 -78.0(7) . . . . ?
C6 O3A C7 C8 134.1(7) . . . . ?
C6 O3A C7 C24 -43.2(8) . . . . ?
O3A C7 C8 C9 -176.0(4) . . . . ?
C24 C7 C8 C9 1.0(8) . . . . ?
C7 C8 C9 C72 -37(3) . . . 3_767 ?
C7 C8 C9 C26 -11.9(7) . . . . ?
C7 C8 C9 C10 110.7(5) . . . . ?
C7 C8 C9 C3 48.3(4) . . . . ?
C2 C3 C9 C72 116.5(10) . . . 3_767 ?
C18 C3 C9 C72 -137.8(11) . . . 3_767 ?
C4 C3 C9 C72 -47.7(10) . . . 3_767 ?
C2 C3 C9 C8 94.8(5) . . . . ?
C18 C3 C9 C8 -159.4(7) . . . . ?
C4 C3 C9 C8 -69.3(5) . . . . ?
C2 C3 C9 C26 -135.2(4) . . . . ?
C18 C3 C9 C26 -29.5(6) . . . . ?
C4 C3 C9 C26 60.6(3) . . . . ?
C2 C3 C9 C10 -26.9(3) . . . . ?
C18 C3 C9 C10 78.8(6) . . . . ?
C4 C3 C9 C10 168.9(4) . . . . ?
N2 C124 C10 C28 -170.6(3) . . . . ?
C125 C124 C10 C28 8.1(5) . . . . ?
N2 C124 C10 C87 76.9(11) . . . 3_767 ?
C125 C124 C10 C87 -104.5(11) . . . 3_767 ?
N2 C124 C10 C11 68.8(4) . . . . ?
C125 C124 C10 C11 -112.5(4) . . . . ?
N2 C124 C10 C9 -55.9(4) . . . . ?
C125 C124 C10 C9 122.8(4) . . . . ?
C72 C9 C10 C28 -118.2(11) 3_767 . . . ?
C8 C9 C10 C28 -129.9(4) . . . . ?
C26 C9 C10 C28 -0.4(4) . . . . ?
C3 C9 C10 C28 -80.5(2) . . . . ?
C72 C9 C10 C124 121.5(11) 3_767 . . . ?
C8 C9 C10 C124 109.8(4) . . . . ?
C26 C9 C10 C124 -120.7(3) . . . . ?
C3 C9 C10 C124 159.2(3) . . . . ?
C72 C9 C10 C87 -23.7(14) 3_767 . . 3_767 ?
C8 C9 C10 C87 -35.4(10) . . . 3_767 ?
C26 C9 C10 C87 94.1(9) . . . 3_767 ?
C3 C9 C10 C87 14.0(9) . . . 3_767 ?
C72 C9 C10 C11 4.6(12) 3_767 . . . ?
C8 C9 C10 C11 -7.1(5) . . . . ?
C26 C9 C10 C11 122.4(4) . . . . ?
C3 C9 C10 C11 42.3(3) . . . . ?
C28 C10 C11 O4A 176.3(4) . . . . ?
C124 C10 C11 O4A -62.4(5) . . . . ?
C87 C10 C11 O4A 130.2(17) 3_767 . . . ?
C9 C10 C11 O4A 57.9(6) . . . . ?
C28 C10 C11 C12 -3.8(6) . . . . ?
C124 C10 C11 C12 117.4(5) . . . . ?
C87 C10 C11 C12 -49.9(16) 3_767 . . . ?
C9 C10 C11 C12 -122.3(5) . . . . ?
O4A C11 C12 C13 -39.1(9) . . . . ?
C10 C11 C12 C13 141.0(6) . . . . ?
O4A C11 C12 C30 149.7(6) . . . . ?
C10 C11 C12 C30 -30.2(8) . . . . ?
C30 C12 C13 C14 -7.3(9) . . . . ?
C11 C12 C13 C14 -178.7(5) . . . . ?
C30 C12 C13 C1 140.7(6) . . . . ?
C11 C12 C13 C1 -30.7(9) . . . . ?
O1A C1 C13 C12 37.4(9) . . . . ?
C2 C1 C13 C12 -136.7(6) . . . . ?
C6 C1 C13 C12 -17.0(9) . . . . ?
O1A C1 C13 C14 -171.1(5) . . . . ?
C2 C1 C13 C14 14.8(5) . . . . ?
C6 C1 C13 C14 134.4(5) . . . . ?
C12 C13 C14 C32 -4.0(9) . . . . ?
C1 C13 C14 C32 -157.4(5) . . . . ?
C12 C13 C14 C15 146.5(6) . . . . ?
C1 C13 C14 C15 -6.9(5) . . . . ?
C32 C14 C15 C16 -2.1(7) . . . . ?
C13 C14 C15 C16 -153.0(5) . . . . ?
C32 C14 C15 C2 146.8(5) . . . . ?
C13 C14 C15 C2 -4.2(6) . . . . ?
C3 C2 C15 C16 5.5(7) . . . . ?
C1 C2 C15 C16 160.6(4) . . . . ?
C3 C2 C15 C14 -141.5(5) . . . . ?
C1 C2 C15 C14 13.5(5) . . . . ?
C14 C15 C16 C17 139.3(5) . . . . ?
C2 C15 C16 C17 -4.6(7) . . . . ?
C14 C15 C16 C34 3.0(8) . . . . ?
C2 C15 C16 C34 -141.0(6) . . . . ?
C15 C16 C17 C18 1.5(7) . . . . ?
C34 C16 C17 C18 143.0(5) . . . . ?
C15 C16 C17 C36 -142.7(5) . . . . ?
C34 C16 C17 C36 -1.2(7) . . . . ?
C16 C17 C18 C19 -141.9(5) . . . . ?
C36 C17 C18 C19 -2.4(7) . . . . ?
C16 C17 C18 C3 0.8(8) . . . . ?
C36 C17 C18 C3 140.3(6) . . . . ?
C2 C3 C18 C17 0.0(7) . . . . ?
C4 C3 C18 C17 -149.9(5) . . . . ?
C9 C3 C18 C17 -80.7(7) . . . . ?
C2 C3 C18 C19 145.6(5) . . . . ?
C4 C3 C18 C19 -4.3(5) . . . . ?
C9 C3 C18 C19 64.9(6) . . . . ?
C17 C18 C19 C38 2.0(7) . . . . ?
C3 C18 C19 C38 -145.7(5) . . . . ?
C17 C18 C19 C20 147.4(5) . . . . ?
C3 C18 C19 C20 -0.3(5) . . . . ?
C38 C19 C20 C21 -1.4(8) . . . . ?
C18 C19 C20 C21 -146.5(5) . . . . ?
C38 C19 C20 C4 150.3(5) . . . . ?
C18 C19 C20 C4 5.2(6) . . . . ?
C5 C4 C20 C21 -11.9(7) . . . . ?
C3 C4 C20 C21 142.6(5) . . . . ?
C5 C4 C20 C19 -162.2(4) . . . . ?
C3 C4 C20 C19 -7.7(5) . . . . ?
C19 C20 C21 C22 141.3(5) . . . . ?
C4 C20 C21 C22 -6.8(7) . . . . ?
C19 C20 C21 C40 6.4(7) . . . . ?
C4 C20 C21 C40 -141.7(5) . . . . ?
C20 C21 C22 C23 12.4(8) . . . . ?
C40 C21 C22 C23 152.5(5) . . . . ?
C20 C21 C22 C42 -133.2(5) . . . . ?
C40 C21 C22 C42 6.8(6) . . . . ?
C21 C22 C23 C24 -151.9(5) . . . . ?
C42 C22 C23 C24 -10.4(8) . . . . ?
C21 C22 C23 C5 0.6(8) . . . . ?
C42 C22 C23 C5 142.1(6) . . . . ?
C4 C5 C23 C22 -19.6(7) . . . . ?
C6 C5 C23 C22 161.3(6) . . . . ?
C4 C5 C23 C24 133.6(5) . . . . ?
C6 C5 C23 C24 -45.5(7) . . . . ?
C22 C23 C24 C25 15.3(7) . . . . ?
C5 C23 C24 C25 -138.5(5) . . . . ?
C22 C23 C24 C7 177.8(4) . . . . ?
C5 C23 C24 C7 23.9(7) . . . . ?
C8 C7 C24 C25 4.5(7) . . . . ?
O3A C7 C24 C25 -178.5(4) . . . . ?
C8 C7 C24 C23 -157.8(5) . . . . ?
O3A C7 C24 C23 19.2(6) . . . . ?
C23 C24 C25 C43 -5.5(9) . . . . ?
C7 C24 C25 C43 -167.0(7) . . . . ?
C23 C24 C25 C26 163.4(4) . . . . ?
C7 C24 C25 C26 1.9(7) . . . . ?
C24 C25 C26 C27 -122.7(5) . . . . ?
C43 C25 C26 C27 46.5(8) . . . . ?
C24 C25 C26 C133 117.2(5) . . . . ?
C43 C25 C26 C133 -73.6(8) . . . . ?
C24 C25 C26 C9 -11.9(6) . . . . ?
C43 C25 C26 C9 157.4(7) . . . . ?
C24 C25 C26 C73 109.1(18) . . . 3_767 ?
C43 C25 C26 C73 -81.7(19) . . . 3_767 ?
N1 C133 C26 C27 69.6(4) . . . . ?
C134 C133 C26 C27 -109.1(4) . . . . ?
N1 C133 C26 C25 -174.7(3) . . . . ?
C134 C133 C26 C25 6.6(5) . . . . ?
N1 C133 C26 C9 -43.9(4) . . . . ?
C134 C133 C26 C9 137.4(4) . . . . ?
N1 C133 C26 C73 -171.1(8) . . . 3_767 ?
C134 C133 C26 C73 10.2(9) . . . 3_767 ?
C72 C9 C26 C27 134.5(10) 3_767 . . . ?
C8 C9 C26 C27 126.7(4) . . . . ?
C10 C9 C26 C27 2.7(4) . . . . ?
C3 C9 C26 C27 79.4(2) . . . . ?
C72 C9 C26 C25 24.5(11) 3_767 . . . ?
C8 C9 C26 C25 16.7(5) . . . . ?
C10 C9 C26 C25 -107.3(4) . . . . ?
C3 C9 C26 C25 -30.6(3) . . . . ?
C72 C9 C26 C133 -107.9(10) 3_767 . . . ?
C8 C9 C26 C133 -115.7(4) . . . . ?
C10 C9 C26 C133 120.3(3) . . . . ?
C3 C9 C26 C133 -163.0(3) . . . . ?
C72 C9 C26 C73 -3.1(15) 3_767 . . 3_767 ?
C8 C9 C26 C73 -11.0(12) . . . 3_767 ?
C10 C9 C26 C73 -135.0(11) . . . 3_767 ?
C3 C9 C26 C73 -58.3(11) . . . 3_767 ?
C25 C26 C27 C28 113.7(4) . . . . ?
C133 C26 C27 C28 -121.8(4) . . . . ?
C9 C26 C27 C28 -4.4(4) . . . . ?
C73 C26 C27 C28 136.9(10) 3_767 . . . ?
C25 C26 C27 C45 -47.4(5) . . . . ?
C133 C26 C27 C45 77.0(5) . . . . ?
C9 C26 C27 C45 -165.6(4) . . . . ?
C73 C26 C27 C45 -24.2(11) 3_767 . . . ?
C25 C26 C27 C93 -50.9(12) . . . 3_767 ?
C133 C26 C27 C93 73.5(12) . . . 3_767 ?
C9 C26 C27 C93 -169.1(12) . . . 3_767 ?
C73 C26 C27 C93 -27.7(15) 3_767 . . 3_767 ?
C45 C27 C28 C90 0.3(13) . . . 3_767 ?
C26 C27 C28 C90 -162.2(12) . . . 3_767 ?
C93 C27 C28 C90 -3(2) 3_767 . . 3_767 ?
C45 C27 C28 C29 4.7(6) . . . . ?
C26 C27 C28 C29 -157.8(4) . . . . ?
C93 C27 C28 C29 1.7(17) 3_767 . . . ?
C45 C27 C28 C10 167.1(4) . . . . ?
C26 C27 C28 C10 4.6(4) . . . . ?
C93 C27 C28 C10 164.0(16) 3_767 . . . ?
C124 C10 C28 C27 115.9(4) . . . . ?
C87 C10 C28 C27 -108.0(9) 3_767 . . . ?
C11 C10 C28 C27 -128.3(4) . . . . ?
C9 C10 C28 C27 -2.5(4) . . . . ?
C124 C10 C28 C90 -84.4(19) . . . 3_767 ?
C87 C10 C28 C90 52(2) 3_767 . . 3_767 ?
C11 C10 C28 C90 31.4(19) . . . 3_767 ?
C9 C10 C28 C90 157.2(19) . . . 3_767 ?
C124 C10 C28 C29 -81.2(5) . . . . ?
C87 C10 C28 C29 54.9(9) 3_767 . . . ?
C11 C10 C28 C29 34.6(5) . . . . ?
C9 C10 C28 C29 160.4(4) . . . . ?
C27 C28 C29 C47 -19.2(7) . . . . ?
C90 C28 C29 C47 -6(4) 3_767 . . . ?
C10 C28 C29 C47 179.7(4) . . . . ?
C27 C28 C29 C30 128.6(5) . . . . ?
C90 C28 C29 C30 142(4) 3_767 . . . ?
C10 C28 C29 C30 -32.4(7) . . . . ?
C13 C12 C30 C31 12.3(10) . . . . ?
C11 C12 C30 C31 -176.2(6) . . . . ?
C13 C12 C30 C29 -137.2(6) . . . . ?
C11 C12 C30 C29 34.3(9) . . . . ?
C47 C29 C30 C31 -6.9(8) . . . . ?
C28 C29 C30 C31 -153.2(5) . . . . ?
C47 C29 C30 C12 143.1(6) . . . . ?
C28 C29 C30 C12 -3.2(8) . . . . ?
C12 C30 C31 C32 -6.4(9) . . . . ?
C29 C30 C31 C32 142.4(6) . . . . ?
C12 C30 C31 C49 -148.6(6) . . . . ?
C29 C30 C31 C49 0.2(8) . . . . ?
C13 C14 C32 C31 10.1(8) . . . . ?
C15 C14 C32 C31 -137.4(5) . . . . ?
C13 C14 C32 C33 148.1(5) . . . . ?
C15 C14 C32 C33 0.6(8) . . . . ?
C30 C31 C32 C14 -4.8(8) . . . . ?
C49 C31 C32 C14 142.7(6) . . . . ?
C30 C31 C32 C33 -147.3(6) . . . . ?
C49 C31 C32 C33 0.1(6) . . . . ?
C14 C32 C33 C34 0.0(8) . . . . ?
C31 C32 C33 C34 141.5(6) . . . . ?
C14 C32 C33 C50 -140.6(6) . . . . ?
C31 C32 C33 C50 0.9(6) . . . . ?
C32 C33 C34 C35 -137.2(6) . . . . ?
C50 C33 C34 C35 -1.4(8) . . . . ?
C32 C33 C34 C16 0.9(8) . . . . ?
C50 C33 C34 C16 136.6(6) . . . . ?
C15 C16 C34 C33 -2.4(9) . . . . ?
C17 C16 C34 C33 -142.4(6) . . . . ?
C15 C16 C34 C35 140.1(6) . . . . ?
C17 C16 C34 C35 0.1(6) . . . . ?
C33 C34 C35 C52 1.1(12) . . . . ?
C16 C34 C35 C52 -141.4(9) . . . . ?
C33 C34 C35 C36 143.6(7) . . . . ?
C16 C34 C35 C36 1.1(7) . . . . ?
C52 C35 C36 C37 -0.9(12) . . . . ?
C34 C35 C36 C37 -143.5(7) . . . . ?
C52 C35 C36 C17 140.7(8) . . . . ?
C34 C35 C36 C17 -1.8(8) . . . . ?
C18 C17 C36 C37 0.3(10) . . . . ?
C16 C17 C36 C37 143.7(7) . . . . ?
C18 C17 C36 C35 -141.5(6) . . . . ?
C16 C17 C36 C35 1.9(8) . . . . ?
C35 C36 C37 C38 139.1(7) . . . . ?
C17 C36 C37 C38 2.1(11) . . . . ?
C35 C36 C37 C54 1.0(11) . . . . ?
C17 C36 C37 C54 -136.0(8) . . . . ?
C20 C19 C38 C37 -140.1(7) . . . . ?
C18 C19 C38 C37 0.5(9) . . . . ?
C20 C19 C38 C39 -3.3(9) . . . . ?
C18 C19 C38 C39 137.2(6) . . . . ?
C36 C37 C38 C19 -2.5(10) . . . . ?
C54 C37 C38 C19 139.0(7) . . . . ?
C36 C37 C38 C39 -143.8(7) . . . . ?
C54 C37 C38 C39 -2.3(8) . . . . ?
C19 C38 C39 C40 3.1(9) . . . . ?
C37 C38 C39 C40 145.3(6) . . . . ?
C19 C38 C39 C55 -139.5(6) . . . . ?
C37 C38 C39 C55 2.7(7) . . . . ?
C55 C39 C40 C41 5.0(8) . . . . ?
C38 C39 C40 C41 -133.5(6) . . . . ?
C55 C39 C40 C21 140.2(6) . . . . ?
C38 C39 C40 C21 1.7(8) . . . . ?
C20 C21 C40 C39 -6.6(7) . . . . ?
C22 C21 C40 C39 -144.5(5) . . . . ?
C20 C21 C40 C41 134.1(5) . . . . ?
C22 C21 C40 C41 -3.9(6) . . . . ?
C39 C40 C41 C57 -2.9(8) . . . . ?
C21 C40 C41 C57 -143.0(5) . . . . ?
C39 C40 C41 C42 139.6(6) . . . . ?
C21 C40 C41 C42 -0.5(6) . . . . ?
C23 C22 C42 C43 -4.3(10) . . . . ?
C21 C22 C42 C43 141.6(8) . . . . ?
C23 C22 C42 C41 -152.8(5) . . . . ?
C21 C22 C42 C41 -7.0(6) . . . . ?
C57 C41 C42 C43 0.7(10) . . . . ?
C40 C41 C42 C43 -141.9(8) . . . . ?
C57 C41 C42 C22 147.2(5) . . . . ?
C40 C41 C42 C22 4.6(6) . . . . ?
C22 C42 C43 C25 14.0(13) . . . . ?
C41 C42 C43 C25 156.7(7) . . . . ?
C22 C42 C43 C44 -142.3(8) . . . . ?
C41 C42 C43 C44 0.3(13) . . . . ?
C24 C25 C43 C42 -9.2(13) . . . . ?
C26 C25 C43 C42 -178.4(7) . . . . ?
C24 C25 C43 C44 145.3(9) . . . . ?
C26 C25 C43 C44 -23.9(13) . . . . ?
C42 C43 C44 C58 -1.6(14) . . . . ?
C25 C43 C44 C58 -156.8(9) . . . . ?
C42 C43 C44 C45 146.5(8) . . . . ?
C25 C43 C44 C45 -8.7(15) . . . . ?
C28 C27 C45 C46 14.5(7) . . . . ?
C26 C27 C45 C46 174.6(4) . . . . ?
C93 C27 C45 C46 -173(5) 3_767 . . . ?
C28 C27 C45 C44 -139.9(6) . . . . ?
C26 C27 C45 C44 20.2(8) . . . . ?
C93 C27 C45 C44 32(4) 3_767 . . . ?
C58 C44 C45 C27 161.0(6) . . . . ?
C43 C44 C45 C27 11.3(11) . . . . ?
C58 C44 C45 C46 7.1(9) . . . . ?
C43 C44 C45 C46 -142.5(8) . . . . ?
C27 C45 C46 C47 -18.5(7) . . . . ?
C44 C45 C46 C47 134.9(6) . . . . ?
C27 C45 C46 C60 -158.6(5) . . . . ?
C44 C45 C46 C60 -5.3(9) . . . . ?
C28 C29 C47 C46 14.7(7) . . . . ?
C30 C29 C47 C46 -133.1(6) . . . . ?
C28 C29 C47 C48 158.0(5) . . . . ?
C30 C29 C47 C48 10.2(9) . . . . ?
C45 C46 C47 C29 3.1(8) . . . . ?
C60 C46 C47 C29 148.3(5) . . . . ?
C45 C46 C47 C48 -144.3(5) . . . . ?
C60 C46 C47 C48 0.9(6) . . . . ?
C29 C47 C48 C49 -6.6(9) . . . . ?
C46 C47 C48 C49 140.5(6) . . . . ?
C29 C47 C48 C61 -148.4(6) . . . . ?
C46 C47 C48 C61 -1.3(6) . . . . ?
C47 C48 C49 C50 -138.7(6) . . . . ?
C61 C48 C49 C50 -1.4(8) . . . . ?
C47 C48 C49 C31 -0.3(8) . . . . ?
C61 C48 C49 C31 137.0(6) . . . . ?
C30 C31 C49 C48 3.4(8) . . . . ?
C32 C31 C49 C48 -143.2(5) . . . . ?
C30 C31 C49 C50 145.5(6) . . . . ?
C32 C31 C49 C50 -1.0(6) . . . . ?
C48 C49 C50 C51 0.5(8) . . . . ?
C31 C49 C50 C51 -141.2(6) . . . . ?
C48 C49 C50 C33 143.2(5) . . . . ?
C31 C49 C50 C33 1.5(6) . . . . ?
C34 C33 C50 C51 2.0(8) . . . . ?
C32 C33 C50 C51 142.0(5) . . . . ?
C34 C33 C50 C49 -141.4(5) . . . . ?
C32 C33 C50 C49 -1.5(6) . . . . ?
C49 C50 C51 C52 135.6(8) . . . . ?
C33 C50 C51 C52 -2.3(10) . . . . ?
C49 C50 C51 C62 0.0(9) . . . . ?
C33 C50 C51 C62 -137.9(6) . . . . ?
C34 C35 C52 C53 138.4(10) . . . . ?
C36 C35 C52 C53 0.1(14) . . . . ?
C34 C35 C52 C51 -1.4(15) . . . . ?
C36 C35 C52 C51 -139.7(9) . . . . ?
C50 C51 C52 C35 2.0(14) . . . . ?
C62 C51 C52 C35 142.2(10) . . . . ?
C50 C51 C52 C53 -142.5(8) . . . . ?
C62 C51 C52 C53 -2.4(11) . . . . ?
C35 C52 C53 C54 0.6(14) . . . . ?
C51 C52 C53 C54 144.2(8) . . . . ?
C35 C52 C53 C63 -140.7(9) . . . . ?
C51 C52 C53 C63 2.9(11) . . . . ?
C52 C53 C54 C37 -0.6(12) . . . . ?
C63 C53 C54 C37 136.2(8) . . . . ?
C52 C53 C54 C55 -138.9(8) . . . . ?
C63 C53 C54 C55 -2.2(11) . . . . ?
C36 C37 C54 C53 -0.2(12) . . . . ?
C38 C37 C54 C53 -141.8(8) . . . . ?
C36 C37 C54 C55 142.6(7) . . . . ?
C38 C37 C54 C55 1.0(9) . . . . ?
C40 C39 C55 C56 -3.0(9) . . . . ?
C38 C39 C55 C56 139.9(6) . . . . ?
C40 C39 C55 C54 -145.0(6) . . . . ?
C38 C39 C55 C54 -2.1(7) . . . . ?
C53 C54 C55 C56 2.9(11) . . . . ?
C37 C54 C55 C56 -141.1(7) . . . . ?
C53 C54 C55 C39 144.7(7) . . . . ?
C37 C54 C55 C39 0.7(8) . . . . ?
C39 C55 C56 C57 -1.1(9) . . . . ?
C54 C55 C56 C57 136.3(7) . . . . ?
C39 C55 C56 C64 -138.8(6) . . . . ?
C54 C55 C56 C64 -1.4(9) . . . . ?
C42 C41 C57 C56 -139.9(6) . . . . ?
C40 C41 C57 C56 -1.2(8) . . . . ?
C42 C41 C57 C58 -0.5(8) . . . . ?
C40 C41 C57 C58 138.1(6) . . . . ?
C55 C56 C57 C41 3.2(9) . . . . ?
C64 C56 C57 C41 145.5(6) . . . . ?
C55 C56 C57 C58 -139.6(6) . . . . ?
C64 C56 C57 C58 2.7(7) . . . . ?
C43 C44 C58 C59 143.4(9) . . . . ?
C45 C44 C58 C59 -4.7(9) . . . . ?
C43 C44 C58 C57 1.9(13) . . . . ?
C45 C44 C58 C57 -146.1(7) . . . . ?
C41 C57 C58 C44 -0.8(10) . . . . ?
C56 C57 C58 C44 142.7(7) . . . . ?
C41 C57 C58 C59 -147.2(5) . . . . ?
C56 C57 C58 C59 -3.8(6) . . . . ?
C44 C58 C59 C60 0.1(9) . . . . ?
C57 C58 C59 C60 146.2(6) . . . . ?
C44 C58 C59 C64 -142.8(6) . . . . ?
C57 C58 C59 C64 3.3(6) . . . . ?
C58 C59 C60 C46 2.2(9) . . . . ?
C64 C59 C60 C46 140.8(6) . . . . ?
C58 C59 C60 C61 -137.6(6) . . . . ?
C64 C59 C60 C61 1.0(8) . . . . ?
C45 C46 C60 C59 0.4(9) . . . . ?
C47 C46 C60 C59 -143.9(6) . . . . ?
C45 C46 C60 C61 144.3(6) . . . . ?
C47 C46 C60 C61 -0.1(6) . . . . ?
C59 C60 C61 C62 1.2(9) . . . . ?
C46 C60 C61 C62 -142.1(6) . . . . ?
C59 C60 C61 C48 142.5(6) . . . . ?
C46 C60 C61 C48 -0.7(6) . . . . ?
C49 C48 C61 C62 1.8(8) . . . . ?
C47 C48 C61 C62 143.6(6) . . . . ?
C49 C48 C61 C60 -140.6(5) . . . . ?
C47 C48 C61 C60 1.3(6) . . . . ?
C60 C61 C62 C63 -2.4(9) . . . . ?
C48 C61 C62 C63 -139.0(7) . . . . ?
C60 C61 C62 C51 135.4(7) . . . . ?
C48 C61 C62 C51 -1.2(9) . . . . ?
C50 C51 C62 C61 0.3(9) . . . . ?
C52 C51 C62 C61 -140.7(8) . . . . ?
C50 C51 C62 C63 142.0(6) . . . . ?
C52 C51 C62 C63 0.9(8) . . . . ?
C54 C53 C63 C64 0.0(10) . . . . ?
C52 C53 C63 C64 140.1(8) . . . . ?
C54 C53 C63 C62 -142.4(7) . . . . ?
C52 C53 C63 C62 -2.3(9) . . . . ?
C61 C62 C63 C64 1.4(10) . . . . ?
C51 C62 C63 C64 -141.2(6) . . . . ?
C61 C62 C63 C53 143.5(6) . . . . ?
C51 C62 C63 C53 0.8(7) . . . . ?
C53 C63 C64 C56 1.6(9) . . . . ?
C62 C63 C64 C56 139.3(7) . . . . ?
C53 C63 C64 C59 -137.1(6) . . . . ?
C62 C63 C64 C59 0.7(9) . . . . ?
C55 C56 C64 C63 -0.9(9) . . . . ?
C57 C56 C64 C63 -143.2(6) . . . . ?
C55 C56 C64 C59 141.8(6) . . . . ?
C57 C56 C64 C59 -0.6(7) . . . . ?
C60 C59 C64 C63 -1.9(8) . . . . ?
C58 C59 C64 C63 141.5(6) . . . . ?
C60 C59 C64 C56 -145.1(6) . . . . ?
C58 C59 C64 C56 -1.7(7) . . . . ?
O1B C65 C66 C67 -42(4) . . . . ?
C75 C65 C66 C67 137(2) . . . . ?
O1B C65 C66 C77 170(3) . . . . ?
C75 C65 C66 C77 -11(3) . . . . ?
C77 C66 C67 C80 -6(3) . . . . ?
C65 C66 C67 C80 -150(2) . . . . ?
C77 C66 C67 C68 136(3) . . . . ?
C65 C66 C67 C68 -7(4) . . . . ?
C66 C67 C68 C69 9(4) . . . . ?
C80 C67 C68 C69 155(2) . . . . ?
C66 C67 C68 C82 -137(3) . . . . ?
C80 C67 C68 C82 10(2) . . . . ?
C82 C68 C69 C70 -157(3) . . . . ?
C67 C68 C69 C70 60(4) . . . . ?
C82 C68 C69 C85 20(3) . . . . ?
C67 C68 C69 C85 -124(2) . . . . ?
C71 O3B C70 O2B -164(3) . . . . ?
C71 O3B C70 C69 25(4) . . . . ?
C68 C69 C70 O2B 28(5) . . . . ?
C85 C69 C70 O2B -149(3) . . . . ?
C68 C69 C70 O3B -162(2) . . . . ?
C85 C69 C70 O3B 22(4) . . . . ?
C70 O3B C71 C72 135(3) . . . . ?
C70 O3B C71 C86 -47(3) . . . . ?
O3B C71 C72 C9 176.7(16) . . . 3_767 ?
C86 C71 C72 C9 -1(3) . . . 3_767 ?
O4B C73 C74 C75 -39(5) . . . . ?
C26 C73 C74 C75 135(3) 3_767 . . . ?
O4B C73 C74 C94 149(3) . . . . ?
C26 C73 C74 C94 -37(5) 3_767 . . . ?
C94 C74 C75 C76 -6(6) . . . . ?
C73 C74 C75 C76 -178(3) . . . . ?
C94 C74 C75 C65 138(4) . . . . ?
C73 C74 C75 C65 -34(5) . . . . ?
O1B C65 C75 C74 45(5) . . . . ?
C66 C65 C75 C74 -134(3) . . . . ?
O1B C65 C75 C76 -170(3) . . . . ?
C66 C65 C75 C76 11(3) . . . . ?
C74 C75 C76 C77 141(3) . . . . ?
C65 C75 C76 C77 -8(3) . . . . ?
C74 C75 C76 C96 -7(4) . . . . ?
C65 C75 C76 C96 -155(2) . . . . ?
C75 C76 C77 C78 -150(3) . . . . ?
C96 C76 C77 C78 -5(4) . . . . ?
C75 C76 C77 C66 0(3) . . . . ?
C96 C76 C77 C66 145(3) . . . . ?
C67 C66 C77 C76 -142(2) . . . . ?
C65 C66 C77 C76 7(3) . . . . ?
C67 C66 C77 C78 9(3) . . . . ?
C65 C66 C77 C78 158(2) . . . . ?
C76 C77 C78 C79 138(3) . . . . ?
C66 C77 C78 C79 -9(4) . . . . ?
C76 C77 C78 C98 -1(4) . . . . ?
C66 C77 C78 C98 -148(3) . . . . ?
C77 C78 C79 C80 7(5) . . . . ?
C98 C78 C79 C80 146(3) . . . . ?
C77 C78 C79 C100 -141(3) . . . . ?
C98 C78 C79 C100 -1(4) . . . . ?
C78 C79 C80 C81 -145(3) . . . . ?
C100 C79 C80 C81 2(4) . . . . ?
C78 C79 C80 C67 -4(5) . . . . ?
C100 C79 C80 C67 142(3) . . . . ?
C66 C67 C80 C81 146(2) . . . . ?
C68 C67 C80 C81 -7(3) . . . . ?
C66 C67 C80 C79 4(4) . . . . ?
C68 C67 C80 C79 -148(3) . . . . ?
C79 C80 C81 C102 3(4) . . . . ?
C67 C80 C81 C102 -141(3) . . . . ?
C79 C80 C81 C82 145(2) . . . . ?
C67 C80 C81 C82 1(3) . . . . ?
C69 C68 C82 C83 -11(3) . . . . ?
C67 C68 C82 C83 139(2) . . . . ?
C69 C68 C82 C81 -159.3(18) . . . . ?
C67 C68 C82 C81 -9(2) . . . . ?
C102 C81 C82 C83 0(3) . . . . ?
C80 C81 C82 C83 -146(2) . . . . ?
C102 C81 C82 C68 151(2) . . . . ?
C80 C81 C82 C68 5(3) . . . . ?
C68 C82 C83 C104 -140(2) . . . . ?
C81 C82 C83 C104 6(3) . . . . ?
C68 C82 C83 C84 -5(4) . . . . ?
C81 C82 C83 C84 141(2) . . . . ?
C103 C104 C83 C82 -6(3) . . . . ?
C105 C104 C83 C82 134(3) . . . . ?
C103 C104 C83 C84 -146.7(19) . . . . ?
C105 C104 C83 C84 -7(2) . . . . ?
C88 C106 C84 C85 -6(4) . . . . ?
C105 C106 C84 C85 -150(2) . . . . ?
C88 C106 C84 C83 139(3) . . . . ?
C105 C106 C84 C83 -5(3) . . . . ?
C82 C83 C84 C106 -137(3) . . . . ?
C104 C83 C84 C106 7(3) . . . . ?
C82 C83 C84 C85 12(3) . . . . ?
C104 C83 C84 C85 157(2) . . . . ?
C106 C84 C85 C86 -8(4) . . . . ?
C83 C84 C85 C86 -152(2) . . . . ?
C106 C84 C85 C69 141(3) . . . . ?
C83 C84 C85 C69 -3(3) . . . . ?
C68 C69 C85 C86 135(2) . . . . ?
C70 C69 C85 C86 -48(3) . . . . ?
C68 C69 C85 C84 -13(3) . . . . ?
C70 C69 C85 C84 164(3) . . . . ?
C84 C85 C86 C87 14(3) . . . . ?
C69 C85 C86 C87 -135(2) . . . . ?
C84 C85 C86 C71 175.0(18) . . . . ?
C69 C85 C86 C71 26(3) . . . . ?
C72 C71 C86 C85 -161(2) . . . . ?
O3B C71 C86 C85 22(3) . . . . ?
C72 C71 C86 C87 1(3) . . . . ?
O3B C71 C86 C87 -177.1(19) . . . . ?
C85 C86 C87 C88 -8(3) . . . . ?
C71 C86 C87 C88 -168(2) . . . . ?
C85 C86 C87 C10 174.0(17) . . . 3_767 ?
C71 C86 C87 C10 14(3) . . . 3_767 ?
C84 C106 C88 C89 -134(3) . . . . ?
C105 C106 C88 C89 8(5) . . . . ?
C84 C106 C88 C87 12(4) . . . . ?
C105 C106 C88 C87 154(2) . . . . ?
C86 C87 C88 C106 -6(4) . . . . ?
C10 C87 C88 C106 172(2) 3_767 . . . ?
C86 C87 C88 C89 142(3) . . . . ?
C10 C87 C88 C89 -40(4) 3_767 . . . ?
C107 C108 C89 C90 -143(3) . . . . ?
C109 C108 C89 C90 -5(4) . . . . ?
C107 C108 C89 C88 11(4) . . . . ?
C109 C108 C89 C88 149(3) . . . . ?
C106 C88 C89 C108 -12(4) . . . . ?
C87 C88 C89 C108 -157(3) . . . . ?
C106 C88 C89 C90 141(3) . . . . ?
C87 C88 C89 C90 -3(4) . . . . ?
C108 C89 C90 C91 7(4) . . . . ?
C88 C89 C90 C91 -146(3) . . . . ?
C108 C89 C90 C28 169(2) . . . 3_767 ?
C88 C89 C90 C28 17(4) . . . 3_767 ?
C28 C90 C91 C92 -26(4) 3_767 . . . ?
C89 C90 C91 C92 133(3) . . . . ?
C28 C90 C91 C110 -162(2) 3_767 . . . ?
C89 C90 C91 C110 -3(4) . . . . ?
C109 C110 C91 C90 -3(4) . . . . ?
C111 C110 C91 C90 145(3) . . . . ?
C109 C110 C91 C92 -145(2) . . . . ?
C111 C110 C91 C92 3(3) . . . . ?
C113 C112 C92 C93 -7(4) . . . . ?
C111 C112 C92 C93 -147(3) . . . . ?
C113 C112 C92 C91 143(3) . . . . ?
C111 C112 C92 C91 3(4) . . . . ?
C90 C91 C92 C93 8(4) . . . . ?
C110 C91 C92 C93 148(2) . . . . ?
C90 C91 C92 C112 -144(3) . . . . ?
C110 C91 C92 C112 -3(3) . . . . ?
C112 C92 C93 C94 12(4) . . . . ?
C91 C92 C93 C94 -134(4) . . . . ?
C112 C92 C93 C27 154(2) . . . 3_767 ?
C91 C92 C93 C27 8(3) . . . 3_767 ?
C92 C93 C94 C95 -10(6) . . . . ?
C27 C93 C94 C95 -143(4) 3_767 . . . ?
C92 C93 C94 C74 143(4) . . . . ?
C27 C93 C94 C74 9(6) 3_767 . . . ?
C75 C74 C94 C95 13(7) . . . . ?
C73 C74 C94 C95 -175(4) . . . . ?
C75 C74 C94 C93 -142(4) . . . . ?
C73 C74 C94 C93 29(6) . . . . ?
C93 C94 C95 C96 146(4) . . . . ?
C74 C94 C95 C96 -7(6) . . . . ?
C93 C94 C95 C113 4(7) . . . . ?
C74 C94 C95 C113 -149(4) . . . . ?
C112 C113 C95 C94 2(5) . . . . ?
C114 C113 C95 C94 146(4) . . . . ?
C112 C113 C95 C96 -143(3) . . . . ?
C114 C113 C95 C96 0(3) . . . . ?
C94 C95 C96 C76 -6(5) . . . . ?
C113 C95 C96 C76 139(3) . . . . ?
C94 C95 C96 C97 -146(4) . . . . ?
C113 C95 C96 C97 -1(3) . . . . ?
C75 C76 C96 C95 14(4) . . . . ?
C77 C76 C96 C95 -130(3) . . . . ?
C75 C76 C96 C97 151(2) . . . . ?
C77 C76 C96 C97 8(4) . . . . ?
C95 C96 C97 C98 140(3) . . . . ?
C76 C96 C97 C98 -4(4) . . . . ?
C95 C96 C97 C114 1(3) . . . . ?
C76 C96 C97 C114 -144(2) . . . . ?
C115 C114 C97 C98 -2(4) . . . . ?
C113 C114 C97 C98 -142(2) . . . . ?
C115 C114 C97 C96 140(3) . . . . ?
C113 C114 C97 C96 0(3) . . . . ?
C96 C97 C98 C99 -138(4) . . . . ?
C114 C97 C98 C99 -1(5) . . . . ?
C96 C97 C98 C78 -2(5) . . . . ?
C114 C97 C98 C78 135(3) . . . . ?
C79 C78 C98 C99 6(4) . . . . ?
C77 C78 C98 C99 149(3) . . . . ?
C79 C78 C98 C97 -138(3) . . . . ?
C77 C78 C98 C97 4(4) . . . . ?
C117 C116 C99 C98 136(5) . . . . ?
C115 C116 C99 C98 -6(7) . . . . ?
C117 C116 C99 C100 1(7) . . . . ?
C115 C116 C99 C100 -142(3) . . . . ?
C97 C98 C99 C116 5(7) . . . . ?
C78 C98 C99 C116 -139(4) . . . . ?
C97 C98 C99 C100 134(4) . . . . ?
C78 C98 C99 C100 -9(5) . . . . ?
C78 C79 C100 C101 140(5) . . . . ?
C80 C79 C100 C101 -8(6) . . . . ?
C78 C79 C100 C99 -4(4) . . . . ?
C80 C79 C100 C99 -152(4) . . . . ?
C116 C99 C100 C101 0(7) . . . . ?
C98 C99 C100 C101 -136(5) . . . . ?
C116 C99 C100 C79 144(4) . . . . ?
C98 C99 C100 C79 8(5) . . . . ?
C79 C100 C101 C118 -133(4) . . . . ?
C99 C100 C101 C118 0(7) . . . . ?
C79 C100 C101 C102 9(6) . . . . ?
C99 C100 C101 C102 141(4) . . . . ?
C117 C118 C101 C100 -1(7) . . . . ?
C119 C118 C101 C100 144(4) . . . . ?
C117 C118 C101 C102 -140(5) . . . . ?
C119 C118 C101 C102 4(4) . . . . ?
C80 C81 C102 C103 133(3) . . . . ?
C82 C81 C102 C103 -6(4) . . . . ?
C80 C81 C102 C101 -2(5) . . . . ?
C82 C81 C102 C101 -141(3) . . . . ?
C100 C101 C102 C81 -4(5) . . . . ?
C118 C101 C102 C81 140(4) . . . . ?
C100 C101 C102 C103 -150(4) . . . . ?
C118 C101 C102 C103 -7(4) . . . . ?
C120 C119 C103 C102 133(3) . . . . ?
C118 C119 C103 C102 -5(3) . . . . ?
C120 C119 C103 C104 -5(4) . . . . ?
C118 C119 C103 C104 -143(2) . . . . ?
C81 C102 C103 C119 -136(3) . . . . ?
C101 C102 C103 C119 7(3) . . . . ?
C81 C102 C103 C104 5(4) . . . . ?
C101 C102 C103 C104 148(2) . . . . ?
C83 C104 C103 C119 140(2) . . . . ?
C105 C104 C103 C119 3(3) . . . . ?
C83 C104 C103 C102 0(3) . . . . ?
C105 C104 C103 C102 -136(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.093
