# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_2b13_a
_database_code_depnum_ccdc_archive 'CCDC 2249119'
loop_
_audit_author_name
_audit_author_address
'yoshifumi hashikawa'
;ICR, Kyoto Univ
Japan
;
_audit_update_record             
;
2023-03-16 deposited with the CCDC.	2023-04-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C94.50 H28 N2 O5 S5'
_chemical_formula_weight         1431.49

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'
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'
S S 0.1246 0.1234 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.25(2)
_cell_length_b                   13.47(2)
_cell_length_c                   17.15(3)
_cell_angle_alpha                82.98(5)
_cell_angle_beta                 80.57(6)
_cell_angle_gamma                80.95(4)
_cell_volume                     2969(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9554
_cell_measurement_theta_min      1.54
_cell_measurement_theta_max      24.75

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1458
_exptl_absorpt_coefficient_mu    0.267
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9560
_exptl_absorpt_correction_T_max  0.9894
_exptl_absorpt_process_details   SADABS

_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  'Bruker Smart APEX II'
_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            12557
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.1258
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.54
_diffrn_reflns_theta_max         24.75
_reflns_number_total             9554
_reflns_number_gt                5656
_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)+(0.0787P)²+27.1459P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9554
_refine_ls_number_parameters     969
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1575
_refine_ls_R_factor_gt           0.0949
_refine_ls_wR_factor_ref         0.2812
_refine_ls_wR_factor_gt          0.2425
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.077
_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
S1 S 0.21512(19) -0.24713(18) 0.38909(15) 0.0380(6) Uani 1 1 d . . .
S2 S 0.0649(3) -0.2205(2) 0.2642(2) 0.0690(10) Uani 1 1 d . . .
S3 S 0.0727(2) 0.2692(2) 0.90238(15) 0.0448(7) Uani 1 1 d . . .
S4 S 0.19197(18) 0.32703(19) 0.73621(15) 0.0384(6) Uani 1 1 d . . .
S5 S 0.5701(2) 0.4016(2) -0.02021(18) 0.0492(7) Uani 1 1 d . . .
O1 O 0.4817(4) 0.5222(4) 0.3984(3) 0.0237(13) Uani 1 1 d . . .
O2 O 0.3661(4) 0.3765(4) 0.4678(3) 0.0219(12) Uani 1 1 d . . .
O3 O 0.3846(4) 0.3435(4) 0.6037(3) 0.0261(14) Uani 1 1 d . . .
H3 H 0.4239 0.3878 0.5989 0.039 Uiso 1 1 calc R . .
O4 O 0.5824(4) 0.2828(4) 0.5089(3) 0.0281(14) Uani 1 1 d . . .
O5 O 0.2736(4) 0.5208(4) 0.5255(3) 0.0272(14) Uani 1 1 d . . .
H5 H 0.2888 0.4912 0.5689 0.041 Uiso 1 1 calc R . .
C1 C 0.5441(5) 0.4283(6) 0.2837(4) 0.0167(16) Uani 1 1 d . . .
C2 C 0.6271(6) 0.3701(6) 0.3281(5) 0.0237(19) Uani 1 1 d . . .
H2 H 0.6699 0.4073 0.3490 0.028 Uiso 1 1 calc R . .
C3 C 0.6441(5) 0.2712(6) 0.3396(5) 0.0193(17) Uani 1 1 d . . .
H3A H 0.6963 0.2413 0.3706 0.023 Uiso 1 1 calc R . .
C4 C 0.5857(5) 0.2020(6) 0.3067(5) 0.0186(17) Uani 1 1 d . . .
C5 C 0.5134(5) 0.1482(6) 0.3726(5) 0.0182(17) Uani 1 1 d . . .
C6 C 0.4868(5) 0.1735(6) 0.4495(5) 0.0196(17) Uani 1 1 d . . .
C7 C 0.5038(6) 0.2584(6) 0.4947(5) 0.0258(19) Uani 1 1 d . . .
C8 C 0.3921(6) 0.3051(7) 0.5331(5) 0.0241(19) Uani 1 1 d . . .
C9 C 0.3331(6) 0.2169(6) 0.5384(5) 0.0237(19) Uani 1 1 d . . .
C10 C 0.2259(6) 0.2214(6) 0.5477(5) 0.0209(18) Uani 1 1 d . . .
C11 C 0.1505(6) 0.3095(6) 0.5277(5) 0.0216(18) Uani 1 1 d . . .
C12 C 0.1700(6) 0.4040(6) 0.4906(4) 0.0217(18) Uani 1 1 d U . .
C13 C 0.2739(5) 0.4497(6) 0.4733(5) 0.0207(18) Uani 1 1 d . . .
C14 C 0.2716(6) 0.4947(6) 0.3865(5) 0.0239(19) Uani 1 1 d . . .
C15 C 0.3520(5) 0.4964(5) 0.3247(5) 0.0180(17) Uani 1 1 d . . .
C16 C 0.4600(6) 0.4868(6) 0.3410(5) 0.0212(18) Uani 1 1 d . . .
C17 C 0.4912(5) 0.3597(6) 0.2441(4) 0.0165(16) Uani 1 1 d . . .
C18 C 0.5138(5) 0.2581(6) 0.2516(4) 0.0169(17) Uani 1 1 d . . .
C19 C 0.4534(5) 0.1974(6) 0.2168(4) 0.0165(16) Uani 1 1 d . . .
C20 C 0.4304(5) 0.1038(5) 0.2594(4) 0.0166(16) Uani 1 1 d . . .
C21 C 0.4518(6) 0.0849(6) 0.3417(5) 0.0222(18) Uani 1 1 d . . .
C22 C 0.3854(6) 0.0306(6) 0.3976(5) 0.0222(18) Uani 1 1 d . . .
C23 C 0.3563(6) 0.0592(6) 0.4745(4) 0.0208(17) Uani 1 1 d . . .
C24 C 0.3963(6) 0.1388(6) 0.4978(4) 0.0203(18) Uani 1 1 d . . .
C25 C 0.2477(6) 0.0534(6) 0.4976(4) 0.0217(18) Uani 1 1 d . . .
C26 C 0.1846(6) 0.1339(6) 0.5319(4) 0.0233(19) Uani 1 1 d . . .
C27 C 0.0828(6) 0.1638(7) 0.5106(5) 0.0239(19) Uani 1 1 d . . .
C28 C 0.0613(6) 0.2706(6) 0.5082(5) 0.0243(19) Uani 1 1 d . . .
C29 C -0.0095(5) 0.3249(6) 0.4588(5) 0.0217(18) Uani 1 1 d . . .
C30 C 0.0140(6) 0.4223(6) 0.4178(5) 0.0242(19) Uani 1 1 d . . .
C31 C 0.1073(6) 0.4531(6) 0.4329(5) 0.0203(18) Uani 1 1 d . . .
C32 C 0.1680(6) 0.5039(6) 0.3698(5) 0.0221(18) Uani 1 1 d . . .
C33 C 0.1450(6) 0.5209(6) 0.2920(5) 0.0227(19) Uani 1 1 d . . .
C34 C 0.2300(6) 0.5074(6) 0.2273(5) 0.0222(18) Uani 1 1 d . . .
C35 C 0.3328(6) 0.4823(6) 0.2465(5) 0.0198(17) Uani 1 1 d . . .
C36 C 0.4028(5) 0.4067(6) 0.2069(4) 0.0172(17) Uani 1 1 d . . .
C37 C 0.3691(5) 0.3545(6) 0.1508(4) 0.0170(17) Uani 1 1 d . . .
C38 C 0.3972(5) 0.2449(6) 0.1559(4) 0.0142(16) Uani 1 1 d . . .
C39 C 0.3360(5) 0.1875(6) 0.1241(4) 0.0160(16) Uani 1 1 d . . .
C40 C 0.3146(6) 0.0923(6) 0.1636(4) 0.0185(17) Uani 1 1 d . . .
C41 C 0.3518(6) 0.0559(6) 0.2341(5) 0.0204(18) Uani 1 1 d . . .
C42 C 0.2844(6) -0.0010(6) 0.2956(5) 0.0223(19) Uani 1 1 d . . .
C43 C 0.2984(6) -0.0061(6) 0.3749(5) 0.0218(18) Uani 1 1 d . . .
C44 C 0.2143(6) 0.0067(6) 0.4369(5) 0.0231(18) Uani 1 1 d . . .
C45 C 0.1111(6) 0.0275(6) 0.4197(5) 0.0226(18) Uani 1 1 d . . .
C46 C 0.0416(6) 0.1086(6) 0.4597(5) 0.0218(18) Uani 1 1 d . . .
C47 C -0.0395(6) 0.1617(6) 0.4200(4) 0.0220(18) Uani 1 1 d . . .
C48 C -0.0652(6) 0.2686(6) 0.4200(5) 0.025(2) Uani 1 1 d . . .
C49 C -0.1033(5) 0.3074(6) 0.3462(5) 0.0230(19) Uani 1 1 d . . .
C50 C -0.0809(5) 0.3990(6) 0.3090(5) 0.0230(18) Uani 1 1 d . . .
C51 C -0.0188(6) 0.4553(6) 0.3449(5) 0.0245(19) Uani 1 1 d . . .
C52 C 0.0446(6) 0.5055(6) 0.2811(5) 0.0229(18) Uani 1 1 d . . .
C53 C 0.0252(6) 0.4790(6) 0.2067(5) 0.0236(18) Uani 1 1 d . . .
C54 C 0.1047(6) 0.4634(6) 0.1457(5) 0.0241(18) Uani 1 1 d . . .
C55 C 0.2091(6) 0.4743(6) 0.1577(5) 0.0194(17) Uani 1 1 d . . .
C56 C 0.2793(6) 0.3961(6) 0.1190(4) 0.0199(17) Uani 1 1 d . . .
C57 C 0.2196(6) 0.3381(6) 0.0831(4) 0.0227(18) Uani 1 1 d . . .
C58 C 0.2491(6) 0.2344(6) 0.0844(5) 0.0202(17) Uani 1 1 d . . .
C59 C 0.1710(6) 0.1677(6) 0.0999(4) 0.0183(17) Uani 1 1 d . . .
C60 C 0.2120(6) 0.0795(6) 0.1481(5) 0.0209(18) Uani 1 1 d . . .
C61 C 0.1470(6) 0.0317(6) 0.2067(5) 0.0250(19) Uani 1 1 d . . .
C62 C 0.1828(6) -0.0060(6) 0.2811(5) 0.0228(18) Uani 1 1 d U . .
C63 C 0.0972(6) 0.0088(6) 0.3437(5) 0.0230(18) Uani 1 1 d . . .
C64 C 0.0087(6) 0.0594(6) 0.3070(5) 0.0256(19) Uani 1 1 d . . .
C65 C -0.0583(6) 0.1326(6) 0.3462(5) 0.0238(19) Uani 1 1 d . . .
C66 C -0.0988(6) 0.2232(6) 0.2989(5) 0.0247(19) Uani 1 1 d . . .
C67 C -0.0727(5) 0.2353(6) 0.2183(5) 0.0221(18) Uani 1 1 d . . .
C68 C -0.0485(6) 0.3333(6) 0.1773(5) 0.0240(18) Uani 1 1 d . . .
C69 C -0.0545(6) 0.4123(6) 0.2243(5) 0.0250(19) Uani 1 1 d . . .
C70 C 0.0366(6) 0.3148(6) 0.1156(5) 0.0242(18) Uani 1 1 d . . .
C71 C 0.1115(6) 0.3795(7) 0.0974(5) 0.0247(19) Uani 1 1 d . . .
C72 C 0.0677(6) 0.2057(6) 0.1148(5) 0.0234(19) Uani 1 1 d . . .
C73 C -0.0003(6) 0.1568(6) 0.1781(5) 0.0223(18) Uani 1 1 d . . .
C74 C 0.0391(6) 0.0703(6) 0.2222(5) 0.0242(19) Uani 1 1 d U . .
C75 C 0.5886(6) 0.5070(6) 0.2197(5) 0.0205(18) Uani 1 1 d . . .
C76 C 0.6726(6) 0.4785(6) 0.1640(5) 0.0245(19) Uani 1 1 d . . .
H76 H 0.7048 0.4103 0.1646 0.029 Uiso 1 1 calc R . .
C77 C 0.7087(6) 0.5517(6) 0.1075(5) 0.0264(19) Uani 1 1 d . . .
H77 H 0.7667 0.5351 0.0685 0.032 Uiso 1 1 calc R . .
C78 C 0.6583(6) 0.6505(7) 0.1089(5) 0.028(2) Uani 1 1 d . . .
H78 H 0.6816 0.7024 0.0706 0.034 Uiso 1 1 calc R . .
C79 C 0.5749(6) 0.6722(6) 0.1659(5) 0.0269(19) Uani 1 1 d . . .
N1 N 0.5399(5) 0.6011(5) 0.2214(4) 0.0225(15) Uani 1 1 d . . .
C80 C 0.5155(6) 0.7795(6) 0.1732(5) 0.029(2) Uani 1 1 d . . .
C81 C 0.5445(8) 0.8499(7) 0.0991(7) 0.055(3) Uani 1 1 d . . .
H81 H 0.5001 0.9151 0.1023 0.082 Uiso 1 1 calc R . .
H81A H 0.5353 0.8199 0.0520 0.082 Uiso 1 1 calc R . .
H81B H 0.6168 0.8600 0.0954 0.082 Uiso 1 1 calc R . .
C82 C 0.5393(10) 0.8206(8) 0.2455(8) 0.065(4) Uani 1 1 d . . .
H82 H 0.5247 0.7730 0.2925 0.097 Uiso 1 1 calc R . .
H82A H 0.4962 0.8858 0.2531 0.097 Uiso 1 1 calc R . .
H82B H 0.6123 0.8296 0.2376 0.097 Uiso 1 1 calc R . .
C83 C 0.3990(7) 0.7739(7) 0.1838(6) 0.040(2) Uani 1 1 d . . .
H83 H 0.3807 0.7253 0.2293 0.060 Uiso 1 1 calc R . .
H83A H 0.3818 0.7520 0.1357 0.060 Uiso 1 1 calc R . .
H83B H 0.3603 0.8406 0.1930 0.060 Uiso 1 1 calc R . .
C84 C 0.6654(5) 0.1243(5) 0.2622(5) 0.0161(16) Uani 1 1 d . . .
C85 C 0.7119(6) 0.0376(6) 0.3021(5) 0.0238(18) Uani 1 1 d . . .
H85 H 0.6933 0.0224 0.3577 0.029 Uiso 1 1 calc R . .
C86 C 0.7866(6) -0.0264(6) 0.2581(5) 0.0251(19) Uani 1 1 d . . .
H86 H 0.8206 -0.0861 0.2835 0.030 Uiso 1 1 calc R . .
C87 C 0.8106(6) -0.0030(6) 0.1787(5) 0.0264(19) Uani 1 1 d . . .
H87 H 0.8612 -0.0465 0.1482 0.032 Uiso 1 1 calc R . .
C88 C 0.7601(6) 0.0863(6) 0.1415(5) 0.0229(18) Uani 1 1 d . . .
C89 C 0.7774(6) 0.1174(7) 0.0523(5) 0.031(2) Uani 1 1 d . . .
C90 C 0.7911(7) 0.2295(7) 0.0360(5) 0.036(2) Uani 1 1 d . . .
H90 H 0.7306 0.2705 0.0628 0.054 Uiso 1 1 calc R . .
H90A H 0.7982 0.2494 -0.0213 0.054 Uiso 1 1 calc R . .
H90B H 0.8532 0.2402 0.0562 0.054 Uiso 1 1 calc R . .
C91 C 0.8711(7) 0.0568(8) 0.0088(6) 0.039(2) Uani 1 1 d . . .
H91 H 0.9330 0.0650 0.0304 0.059 Uiso 1 1 calc R . .
H91A H 0.8788 0.0808 -0.0479 0.059 Uiso 1 1 calc R . .
H91B H 0.8622 -0.0148 0.0157 0.059 Uiso 1 1 calc R . .
C92 C 0.6804(7) 0.1013(8) 0.0189(6) 0.041(2) Uani 1 1 d . . .
H92 H 0.6704 0.0301 0.0297 0.062 Uiso 1 1 calc R . .
H92A H 0.6894 0.1202 -0.0386 0.062 Uiso 1 1 calc R . .
H92B H 0.6198 0.1435 0.0443 0.062 Uiso 1 1 calc R . .
C93 C 0.1407(7) -0.2338(7) 0.3272(7) 0.045(3) Uani 1 1 d . . .
C94 C 0.1322(7) 0.2977(7) 0.8187(6) 0.037(2) Uani 1 1 d . . .
C95 C 0.5000 0.5000 0.0000 0.034(3) Uani 1 2 d S . .
N2 N 0.6890(5) 0.1483(5) 0.1849(4) 0.0219(15) Uani 1 1 d . . .


_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
S1 C93 1.541(11) . ?
S2 C93 1.568(11) . ?
S3 C94 1.556(11) . ?
S4 C94 1.542(11) . ?
S5 C95 1.536(3) . ?
O1 C16 1.237(9) . ?
O2 C8 1.433(10) . ?
O2 C13 1.443(9) . ?
O3 C8 1.357(9) . ?
O3 H3 0.8400 . ?
O4 C7 1.210(9) . ?
O5 C13 1.388(9) . ?
O5 H5 0.8400 . ?
C1 C2 1.504(11) . ?
C1 C17 1.524(10) . ?
C1 C75 1.541(11) . ?
C1 C16 1.543(10) . ?
C2 C3 1.312(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.512(10) . ?
C3 H3A 0.9500 . ?
C4 C18 1.506(11) . ?
C4 C84 1.541(10) . ?
C4 C5 1.544(10) . ?
C5 C6 1.377(11) . ?
C5 C21 1.466(10) . ?
C6 C24 1.449(10) . ?
C6 C7 1.521(11) . ?
C7 C8 1.585(11) . ?
C8 C9 1.507(11) . ?
C9 C10 1.396(11) . ?
C9 C24 1.415(11) . ?
C10 C26 1.447(11) . ?
C10 C11 1.472(12) . ?
C11 C12 1.394(12) . ?
C11 C28 1.466(10) . ?
C12 C31 1.431(12) . ?
C12 C13 1.565(10) . ?
C13 C14 1.540(12) . ?
C14 C15 1.375(11) . ?
C14 C32 1.431(11) . ?
C15 C35 1.446(11) . ?
C15 C16 1.486(11) . ?
C17 C18 1.350(11) . ?
C17 C36 1.447(11) . ?
C18 C19 1.466(10) . ?
C19 C38 1.413(11) . ?
C19 C20 1.428(11) . ?
C20 C41 1.456(10) . ?
C20 C21 1.468(12) . ?
C21 C22 1.409(11) . ?
C22 C23 1.396(11) . ?
C22 C43 1.448(11) . ?
C23 C24 1.395(11) . ?
C23 C25 1.441(11) . ?
C25 C26 1.389(11) . ?
C25 C44 1.441(11) . ?
C26 C27 1.439(12) . ?
C27 C28 1.419(12) . ?
C27 C46 1.433(10) . ?
C28 C29 1.424(12) . ?
C29 C48 1.422(10) . ?
C29 C30 1.465(12) . ?
C30 C51 1.391(12) . ?
C30 C31 1.435(11) . ?
C31 C32 1.411(11) . ?
C32 C33 1.402(12) . ?
C33 C52 1.424(11) . ?
C33 C34 1.452(11) . ?
C34 C55 1.406(11) . ?
C34 C35 1.433(11) . ?
C35 C36 1.422(10) . ?
C36 C37 1.424(10) . ?
C37 C56 1.399(11) . ?
C37 C38 1.460(11) . ?
C38 C39 1.413(10) . ?
C39 C40 1.423(11) . ?
C39 C58 1.455(11) . ?
C40 C41 1.385(12) . ?
C40 C60 1.467(10) . ?
C41 C42 1.485(10) . ?
C42 C43 1.395(12) . ?
C42 C62 1.423(11) . ?
C43 C44 1.415(11) . ?
C44 C45 1.425(11) . ?
C45 C63 1.403(11) . ?
C45 C46 1.474(11) . ?
C46 C47 1.417(12) . ?
C47 C48 1.427(12) . ?
C47 C65 1.439(11) . ?
C48 C49 1.448(12) . ?
C49 C50 1.370(12) . ?
C49 C66 1.462(11) . ?
C50 C69 1.433(12) . ?
C50 C51 1.451(11) . ?
C51 C52 1.434(11) . ?
C52 C53 1.440(11) . ?
C53 C54 1.368(11) . ?
C53 C69 1.463(11) . ?
C54 C55 1.464(11) . ?
C54 C71 1.465(11) . ?
C55 C56 1.441(11) . ?
C56 C57 1.444(10) . ?
C57 C58 1.389(12) . ?
C57 C71 1.445(11) . ?
C58 C59 1.447(10) . ?
C59 C72 1.378(11) . ?
C59 C60 1.447(12) . ?
C60 C61 1.377(11) . ?
C61 C74 1.435(12) . ?
C61 C62 1.441(12) . ?
C62 C63 1.435(11) . ?
C63 C64 1.457(12) . ?
C64 C65 1.380(11) . ?
C64 C74 1.439(12) . ?
C65 C66 1.459(12) . ?
C66 C67 1.366(12) . ?
C67 C73 1.469(11) . ?
C67 C68 1.474(12) . ?
C68 C69 1.397(11) . ?
C68 C70 1.427(11) . ?
C70 C71 1.395(11) . ?
C70 C72 1.465(12) . ?
C72 C73 1.454(11) . ?
C73 C74 1.389(12) . ?
C75 N1 1.331(10) . ?
C75 C76 1.380(11) . ?
C76 C77 1.380(11) . ?
C76 H76 0.9500 . ?
C77 C78 1.393(12) . ?
C77 H77 0.9500 . ?
C78 C79 1.371(11) . ?
C78 H78 0.9500 . ?
C79 N1 1.346(11) . ?
C79 C80 1.543(11) . ?
C80 C82 1.514(14) . ?
C80 C81 1.523(13) . ?
C80 C83 1.537(12) . ?
C81 H81 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C82 H82 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C83 H83 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C84 N2 1.322(10) . ?
C84 C85 1.390(11) . ?
C85 C86 1.393(11) . ?
C85 H85 0.9500 . ?
C86 C87 1.355(12) . ?
C86 H86 0.9500 . ?
C87 C88 1.415(12) . ?
C87 H87 0.9500 . ?
C88 N2 1.348(10) . ?
C88 C89 1.526(13) . ?
C89 C91 1.514(12) . ?
C89 C90 1.535(13) . ?
C89 C92 1.545(12) . ?
C90 H90 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C91 H91 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C92 H92 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C95 S5 1.536(3) 2_665 ?

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
C8 O2 C13 122.8(6) . . ?
C8 O3 H3 109.5 . . ?
C13 O5 H5 109.5 . . ?
C2 C1 C17 112.2(6) . . ?
C2 C1 C75 110.9(6) . . ?
C17 C1 C75 108.7(6) . . ?
C2 C1 C16 110.3(6) . . ?
C17 C1 C16 107.4(6) . . ?
C75 C1 C16 107.0(6) . . ?
C3 C2 C1 124.1(7) . . ?
C3 C2 H2 117.9 . . ?
C1 C2 H2 117.9 . . ?
C2 C3 C4 124.0(8) . . ?
C2 C3 H3A 118.0 . . ?
C4 C3 H3A 118.0 . . ?
C18 C4 C3 112.7(7) . . ?
C18 C4 C84 109.8(6) . . ?
C3 C4 C84 108.1(6) . . ?
C18 C4 C5 103.6(6) . . ?
C3 C4 C5 112.0(6) . . ?
C84 C4 C5 110.7(6) . . ?
C6 C5 C21 119.8(6) . . ?
C6 C5 C4 125.3(6) . . ?
C21 C5 C4 113.0(6) . . ?
C5 C6 C24 119.1(6) . . ?
C5 C6 C7 135.7(7) . . ?
C24 C6 C7 101.6(6) . . ?
O4 C7 C6 130.9(7) . . ?
O4 C7 C8 123.2(7) . . ?
C6 C7 C8 105.4(6) . . ?
O3 C8 O2 115.7(7) . . ?
O3 C8 C9 113.0(6) . . ?
O2 C8 C9 109.4(6) . . ?
O3 C8 C7 116.8(6) . . ?
O2 C8 C7 98.7(6) . . ?
C9 C8 C7 101.4(7) . . ?
C10 C9 C24 119.2(7) . . ?
C10 C9 C8 126.3(8) . . ?
C24 C9 C8 109.1(7) . . ?
C9 C10 C26 117.9(7) . . ?
C9 C10 C11 127.0(7) . . ?
C26 C10 C11 106.1(7) . . ?
C12 C11 C28 116.8(7) . . ?
C12 C11 C10 127.9(7) . . ?
C28 C11 C10 107.0(7) . . ?
C11 C12 C31 118.7(7) . . ?
C11 C12 C13 129.2(8) . . ?
C31 C12 C13 107.1(7) . . ?
O5 C13 O2 113.1(6) . . ?
O5 C13 C14 114.0(7) . . ?
O2 C13 C14 103.0(6) . . ?
O5 C13 C12 110.5(6) . . ?
O2 C13 C12 115.0(6) . . ?
C14 C13 C12 100.4(6) . . ?
C15 C14 C32 119.5(8) . . ?
C15 C14 C13 128.7(7) . . ?
C32 C14 C13 108.6(7) . . ?
C14 C15 C35 118.4(7) . . ?
C14 C15 C16 120.2(8) . . ?
C35 C15 C16 119.7(6) . . ?
O1 C16 C15 121.9(7) . . ?
O1 C16 C1 121.4(7) . . ?
C15 C16 C1 116.7(6) . . ?
C18 C17 C36 119.4(6) . . ?
C18 C17 C1 123.2(7) . . ?
C36 C17 C1 116.8(6) . . ?
C17 C18 C19 119.6(7) . . ?
C17 C18 C4 122.7(6) . . ?
C19 C18 C4 116.8(7) . . ?
C38 C19 C20 121.2(7) . . ?
C38 C19 C18 118.2(7) . . ?
C20 C19 C18 118.2(7) . . ?
C19 C20 C41 117.4(7) . . ?
C19 C20 C21 116.8(6) . . ?
C41 C20 C21 120.6(6) . . ?
C22 C21 C5 117.1(7) . . ?
C22 C21 C20 118.2(7) . . ?
C5 C21 C20 121.1(7) . . ?
C23 C22 C21 120.2(7) . . ?
C23 C22 C43 108.0(7) . . ?
C21 C22 C43 121.1(8) . . ?
C24 C23 C22 120.4(7) . . ?
C24 C23 C25 118.2(7) . . ?
C22 C23 C25 108.4(7) . . ?
C23 C24 C9 122.4(7) . . ?
C23 C24 C6 118.6(7) . . ?
C9 C24 C6 112.0(7) . . ?
C26 C25 C44 120.0(7) . . ?
C26 C25 C23 119.1(7) . . ?
C44 C25 C23 107.3(6) . . ?
C25 C26 C27 119.0(7) . . ?
C25 C26 C10 121.6(7) . . ?
C27 C26 C10 110.0(8) . . ?
C28 C27 C46 121.9(8) . . ?
C28 C27 C26 107.5(7) . . ?
C46 C27 C26 122.1(8) . . ?
C27 C28 C29 119.7(7) . . ?
C27 C28 C11 109.1(7) . . ?
C29 C28 C11 124.8(7) . . ?
C48 C29 C28 118.1(8) . . ?
C48 C29 C30 116.8(8) . . ?
C28 C29 C30 117.7(7) . . ?
C51 C30 C31 118.1(7) . . ?
C51 C30 C29 119.6(7) . . ?
C31 C30 C29 115.4(7) . . ?
C32 C31 C12 110.2(7) . . ?
C32 C31 C30 118.6(7) . . ?
C12 C31 C30 125.7(7) . . ?
C33 C32 C31 123.3(7) . . ?
C33 C32 C14 121.9(7) . . ?
C31 C32 C14 109.6(8) . . ?
C32 C33 C52 116.7(7) . . ?
C32 C33 C34 118.0(7) . . ?
C52 C33 C34 119.4(7) . . ?
C55 C34 C35 118.1(7) . . ?
C55 C34 C33 117.4(7) . . ?
C35 C34 C33 118.2(8) . . ?
C36 C35 C34 119.5(7) . . ?
C36 C35 C15 115.6(7) . . ?
C34 C35 C15 119.4(7) . . ?
C35 C36 C37 119.8(7) . . ?
C35 C36 C17 117.8(7) . . ?
C37 C36 C17 118.6(7) . . ?
C56 C37 C36 118.9(7) . . ?
C56 C37 C38 117.9(6) . . ?
C36 C37 C38 117.2(7) . . ?
C19 C38 C39 118.3(7) . . ?
C19 C38 C37 118.5(6) . . ?
C39 C38 C37 118.4(7) . . ?
C38 C39 C40 120.1(7) . . ?
C38 C39 C58 122.1(7) . . ?
C40 C39 C58 109.1(6) . . ?
C41 C40 C39 120.4(6) . . ?
C41 C40 C60 123.3(7) . . ?
C39 C40 C60 106.7(7) . . ?
C40 C41 C20 119.8(7) . . ?
C40 C41 C42 117.5(7) . . ?
C20 C41 C42 118.3(7) . . ?
C43 C42 C62 116.6(7) . . ?
C43 C42 C41 119.0(7) . . ?
C62 C42 C41 117.7(8) . . ?
C42 C43 C44 122.1(7) . . ?
C42 C43 C22 121.6(7) . . ?
C44 C43 C22 108.2(7) . . ?
C43 C44 C45 120.4(8) . . ?
C43 C44 C25 107.6(7) . . ?
C45 C44 C25 122.2(7) . . ?
C63 C45 C44 116.0(7) . . ?
C63 C45 C46 119.4(8) . . ?
C44 C45 C46 117.3(7) . . ?
C47 C46 C27 116.8(7) . . ?
C47 C46 C45 117.6(7) . . ?
C27 C46 C45 118.3(7) . . ?
C46 C47 C48 120.7(7) . . ?
C46 C47 C65 121.3(7) . . ?
C48 C47 C65 109.0(8) . . ?
C29 C48 C47 121.1(8) . . ?
C29 C48 C49 122.3(8) . . ?
C47 C48 C49 107.7(7) . . ?
C50 C49 C48 119.9(7) . . ?
C50 C49 C66 119.5(7) . . ?
C48 C49 C66 108.6(7) . . ?
C49 C50 C69 120.1(7) . . ?
C49 C50 C51 118.8(8) . . ?
C69 C50 C51 109.3(7) . . ?
C30 C51 C52 122.1(7) . . ?
C30 C51 C50 122.4(8) . . ?
C52 C51 C50 106.9(7) . . ?
C33 C52 C51 119.3(8) . . ?
C33 C52 C53 121.3(7) . . ?
C51 C52 C53 109.1(7) . . ?
C54 C53 C52 120.1(7) . . ?
C54 C53 C69 120.5(7) . . ?
C52 C53 C69 107.6(7) . . ?
C53 C54 C55 118.9(8) . . ?
C53 C54 C71 120.4(7) . . ?
C55 C54 C71 108.5(7) . . ?
C34 C55 C56 120.4(7) . . ?
C34 C55 C54 122.6(7) . . ?
C56 C55 C54 107.4(6) . . ?
C37 C56 C55 119.2(7) . . ?
C37 C56 C57 123.6(7) . . ?
C55 C56 C57 108.1(7) . . ?
C58 C57 C56 118.4(7) . . ?
C58 C57 C71 120.3(7) . . ?
C56 C57 C71 109.6(7) . . ?
C57 C58 C59 119.7(7) . . ?
C57 C58 C39 119.2(7) . . ?
C59 C58 C39 108.4(7) . . ?
C72 C59 C58 120.8(7) . . ?
C72 C59 C60 119.7(7) . . ?
C58 C59 C60 106.6(7) . . ?
C61 C60 C59 119.9(7) . . ?
C61 C60 C40 119.3(7) . . ?
C59 C60 C40 109.3(6) . . ?
C60 C61 C74 120.7(8) . . ?
C60 C61 C62 118.8(7) . . ?
C74 C61 C62 108.7(7) . . ?
C42 C62 C63 119.7(7) . . ?
C42 C62 C61 122.9(7) . . ?
C63 C62 C61 108.2(7) . . ?
C45 C63 C62 121.6(7) . . ?
C45 C63 C64 121.6(7) . . ?
C62 C63 C64 107.2(7) . . ?
C65 C64 C74 122.1(8) . . ?
C65 C64 C63 118.4(7) . . ?
C74 C64 C63 108.4(7) . . ?
C64 C65 C47 121.2(8) . . ?
C64 C65 C66 117.9(7) . . ?
C47 C65 C66 108.4(7) . . ?
C67 C66 C65 121.5(7) . . ?
C67 C66 C49 120.5(8) . . ?
C65 C66 C49 106.3(7) . . ?
C66 C67 C73 119.5(8) . . ?
C66 C67 C68 120.8(7) . . ?
C73 C67 C68 106.7(7) . . ?
C69 C68 C70 120.6(7) . . ?
C69 C68 C67 117.1(7) . . ?
C70 C68 C67 108.4(7) . . ?
C68 C69 C50 122.0(8) . . ?
C68 C69 C53 118.8(7) . . ?
C50 C69 C53 107.0(7) . . ?
C71 C70 C68 120.7(7) . . ?
C71 C70 C72 119.6(7) . . ?
C68 C70 C72 109.1(7) . . ?
C70 C71 C57 119.9(8) . . ?
C70 C71 C54 118.8(7) . . ?
C57 C71 C54 106.2(6) . . ?
C59 C72 C73 120.3(8) . . ?
C59 C72 C70 119.7(7) . . ?
C73 C72 C70 107.2(7) . . ?
C74 C73 C72 119.5(7) . . ?
C74 C73 C67 119.7(7) . . ?
C72 C73 C67 108.5(7) . . ?
C73 C74 C61 119.8(7) . . ?
C73 C74 C64 119.3(7) . . ?
C61 C74 C64 107.4(7) . . ?
N1 C75 C76 123.5(7) . . ?
N1 C75 C1 115.8(6) . . ?
C76 C75 C1 120.6(7) . . ?
C77 C76 C75 118.3(8) . . ?
C77 C76 H76 120.9 . . ?
C75 C76 H76 120.9 . . ?
C76 C77 C78 118.6(7) . . ?
C76 C77 H77 120.7 . . ?
C78 C77 H77 120.7 . . ?
C79 C78 C77 119.4(8) . . ?
C79 C78 H78 120.3 . . ?
C77 C78 H78 120.3 . . ?
N1 C79 C78 122.2(8) . . ?
N1 C79 C80 114.7(7) . . ?
C78 C79 C80 123.2(8) . . ?
C75 N1 C79 118.0(7) . . ?
C82 C80 C81 109.7(9) . . ?
C82 C80 C83 108.7(8) . . ?
C81 C80 C83 109.1(8) . . ?
C82 C80 C79 109.6(8) . . ?
C81 C80 C79 110.9(7) . . ?
C83 C80 C79 108.7(7) . . ?
C80 C81 H81 109.5 . . ?
C80 C81 H81A 109.5 . . ?
H81 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C82 H82 109.5 . . ?
C80 C82 H82A 109.5 . . ?
H82 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
H82 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C80 C83 H83 109.5 . . ?
C80 C83 H83A 109.5 . . ?
H83 C83 H83A 109.5 . . ?
C80 C83 H83B 109.5 . . ?
H83 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
N2 C84 C85 123.0(7) . . ?
N2 C84 C4 115.5(7) . . ?
C85 C84 C4 121.4(7) . . ?
C84 C85 C86 117.9(8) . . ?
C84 C85 H85 121.1 . . ?
C86 C85 H85 121.1 . . ?
C87 C86 C85 119.6(8) . . ?
C87 C86 H86 120.2 . . ?
C85 C86 H86 120.2 . . ?
C86 C87 C88 119.8(7) . . ?
C86 C87 H87 120.1 . . ?
C88 C87 H87 120.1 . . ?
N2 C88 C87 120.0(8) . . ?
N2 C88 C89 115.7(7) . . ?
C87 C88 C89 124.2(7) . . ?
C91 C89 C88 113.2(8) . . ?
C91 C89 C90 108.0(7) . . ?
C88 C89 C90 110.4(7) . . ?
C91 C89 C92 108.8(7) . . ?
C88 C89 C92 107.5(7) . . ?
C90 C89 C92 108.9(8) . . ?
C89 C90 H90 109.5 . . ?
C89 C90 H90A 109.5 . . ?
H90 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C91 H91 109.5 . . ?
C89 C91 H91A 109.5 . . ?
H91 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
H91 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C89 C92 H92 109.5 . . ?
C89 C92 H92A 109.5 . . ?
H92 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
H92 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
S1 C93 S2 179.8(7) . . ?
S4 C94 S3 179.2(7) . . ?
S5 C95 S5 180.00(18) . 2_665 ?
C84 N2 C88 119.7(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C17 C1 C2 C3 -7.7(10) . . . . ?
C75 C1 C2 C3 -129.5(8) . . . . ?
C16 C1 C2 C3 112.1(8) . . . . ?
C1 C2 C3 C4 2.9(12) . . . . ?
C2 C3 C4 C18 6.3(10) . . . . ?
C2 C3 C4 C84 127.8(8) . . . . ?
C2 C3 C4 C5 -110.0(9) . . . . ?
C18 C4 C5 C6 -108.8(8) . . . . ?
C3 C4 C5 C6 12.8(11) . . . . ?
C84 C4 C5 C6 133.5(8) . . . . ?
C18 C4 C5 C21 55.2(8) . . . . ?
C3 C4 C5 C21 176.9(7) . . . . ?
C84 C4 C5 C21 -62.5(8) . . . . ?
C21 C5 C6 C24 -1.5(12) . . . . ?
C4 C5 C6 C24 161.5(7) . . . . ?
C21 C5 C6 C7 -155.9(9) . . . . ?
C4 C5 C6 C7 7.1(14) . . . . ?
C5 C6 C7 O4 -62.6(15) . . . . ?
C24 C6 C7 O4 140.0(9) . . . . ?
C5 C6 C7 C8 125.2(9) . . . . ?
C24 C6 C7 C8 -32.1(8) . . . . ?
C13 O2 C8 O3 -47.7(8) . . . . ?
C13 O2 C8 C9 81.4(8) . . . . ?
C13 O2 C8 C7 -173.1(6) . . . . ?
O4 C7 C8 O3 -24.6(12) . . . . ?
C6 C7 C8 O3 148.3(7) . . . . ?
O4 C7 C8 O2 100.2(9) . . . . ?
C6 C7 C8 O2 -86.9(7) . . . . ?
O4 C7 C8 C9 -147.9(8) . . . . ?
C6 C7 C8 C9 25.0(8) . . . . ?
O3 C8 C9 C10 72.5(11) . . . . ?
O2 C8 C9 C10 -58.0(10) . . . . ?
C7 C8 C9 C10 -161.6(8) . . . . ?
O3 C8 C9 C24 -134.0(7) . . . . ?
O2 C8 C9 C24 95.4(8) . . . . ?
C7 C8 C9 C24 -8.2(9) . . . . ?
C24 C9 C10 C26 13.8(11) . . . . ?
C8 C9 C10 C26 164.9(7) . . . . ?
C24 C9 C10 C11 -128.6(9) . . . . ?
C8 C9 C10 C11 22.5(13) . . . . ?
C9 C10 C11 C12 4.8(13) . . . . ?
C26 C10 C11 C12 -141.0(8) . . . . ?
C9 C10 C11 C28 151.5(8) . . . . ?
C26 C10 C11 C28 5.6(8) . . . . ?
C28 C11 C12 C31 -4.1(10) . . . . ?
C10 C11 C12 C31 139.8(8) . . . . ?
C28 C11 C12 C13 -155.8(7) . . . . ?
C10 C11 C12 C13 -11.9(12) . . . . ?
C8 O2 C13 O5 65.7(8) . . . . ?
C8 O2 C13 C14 -170.8(6) . . . . ?
C8 O2 C13 C12 -62.6(8) . . . . ?
C11 C12 C13 O5 -104.9(9) . . . . ?
C31 C12 C13 O5 100.9(7) . . . . ?
C11 C12 C13 O2 24.7(10) . . . . ?
C31 C12 C13 O2 -129.5(7) . . . . ?
C11 C12 C13 C14 134.5(8) . . . . ?
C31 C12 C13 C14 -19.7(7) . . . . ?
O5 C13 C14 C15 100.6(9) . . . . ?
O2 C13 C14 C15 -22.3(10) . . . . ?
C12 C13 C14 C15 -141.3(8) . . . . ?
O5 C13 C14 C32 -100.2(7) . . . . ?
O2 C13 C14 C32 136.9(6) . . . . ?
C12 C13 C14 C32 17.9(7) . . . . ?
C32 C14 C15 C35 -15.1(11) . . . . ?
C13 C14 C15 C35 142.2(8) . . . . ?
C32 C14 C15 C16 -179.9(6) . . . . ?
C13 C14 C15 C16 -22.7(11) . . . . ?
C14 C15 C16 O1 -34.0(11) . . . . ?
C35 C15 C16 O1 161.4(7) . . . . ?
C14 C15 C16 C1 144.7(7) . . . . ?
C35 C15 C16 C1 -20.0(10) . . . . ?
C2 C1 C16 O1 33.8(10) . . . . ?
C17 C1 C16 O1 156.5(7) . . . . ?
C75 C1 C16 O1 -86.9(9) . . . . ?
C2 C1 C16 C15 -144.9(7) . . . . ?
C17 C1 C16 C15 -22.2(9) . . . . ?
C75 C1 C16 C15 94.4(8) . . . . ?
C2 C1 C17 C18 2.9(10) . . . . ?
C75 C1 C17 C18 126.0(8) . . . . ?
C16 C1 C17 C18 -118.6(8) . . . . ?
C2 C1 C17 C36 173.6(6) . . . . ?
C75 C1 C17 C36 -63.3(8) . . . . ?
C16 C1 C17 C36 52.2(9) . . . . ?
C36 C17 C18 C19 4.6(10) . . . . ?
C1 C17 C18 C19 175.1(6) . . . . ?
C36 C17 C18 C4 -164.0(6) . . . . ?
C1 C17 C18 C4 6.5(11) . . . . ?
C3 C4 C18 C17 -10.9(10) . . . . ?
C84 C4 C18 C17 -131.4(7) . . . . ?
C5 C4 C18 C17 110.3(7) . . . . ?
C3 C4 C18 C19 -179.8(6) . . . . ?
C84 C4 C18 C19 59.7(8) . . . . ?
C5 C4 C18 C19 -58.6(8) . . . . ?
C17 C18 C19 C38 20.2(10) . . . . ?
C4 C18 C19 C38 -170.6(6) . . . . ?
C17 C18 C19 C20 -142.6(7) . . . . ?
C4 C18 C19 C20 26.7(9) . . . . ?
C38 C19 C20 C41 4.1(10) . . . . ?
C18 C19 C20 C41 166.4(6) . . . . ?
C38 C19 C20 C21 -150.8(7) . . . . ?
C18 C19 C20 C21 11.5(10) . . . . ?
C6 C5 C21 C22 -16.7(11) . . . . ?
C4 C5 C21 C22 178.3(7) . . . . ?
C6 C5 C21 C20 141.7(8) . . . . ?
C4 C5 C21 C20 -23.3(10) . . . . ?
C19 C20 C21 C22 145.6(7) . . . . ?
C41 C20 C21 C22 -8.4(10) . . . . ?
C19 C20 C21 C5 -12.5(10) . . . . ?
C41 C20 C21 C5 -166.6(7) . . . . ?
C5 C21 C22 C23 19.0(11) . . . . ?
C20 C21 C22 C23 -140.0(8) . . . . ?
C5 C21 C22 C43 159.3(7) . . . . ?
C20 C21 C22 C43 0.2(11) . . . . ?
C21 C22 C23 C24 -2.9(12) . . . . ?
C43 C22 C23 C24 -147.8(8) . . . . ?
C21 C22 C23 C25 137.6(8) . . . . ?
C43 C22 C23 C25 -7.2(9) . . . . ?
C22 C23 C24 C9 132.5(9) . . . . ?
C25 C23 C24 C9 -4.3(12) . . . . ?
C22 C23 C24 C6 -15.8(12) . . . . ?
C25 C23 C24 C6 -152.7(8) . . . . ?
C10 C9 C24 C23 -7.4(12) . . . . ?
C8 C9 C24 C23 -163.1(8) . . . . ?
C10 C9 C24 C6 142.8(8) . . . . ?
C8 C9 C24 C6 -12.9(10) . . . . ?
C5 C6 C24 C23 17.9(12) . . . . ?
C7 C6 C24 C23 179.9(7) . . . . ?
C5 C6 C24 C9 -133.6(8) . . . . ?
C7 C6 C24 C9 28.5(9) . . . . ?
C24 C23 C25 C26 9.1(11) . . . . ?
C22 C23 C25 C26 -132.4(8) . . . . ?
C24 C23 C25 C44 149.6(8) . . . . ?
C22 C23 C25 C44 8.0(9) . . . . ?
C44 C25 C26 C27 5.1(11) . . . . ?
C23 C25 C26 C27 140.6(8) . . . . ?
C44 C25 C26 C10 -138.0(8) . . . . ?
C23 C25 C26 C10 -2.5(12) . . . . ?
C9 C10 C26 C25 -9.1(12) . . . . ?
C11 C10 C26 C25 140.4(8) . . . . ?
C9 C10 C26 C27 -155.1(7) . . . . ?
C11 C10 C26 C27 -5.6(8) . . . . ?
C25 C26 C27 C28 -143.7(7) . . . . ?
C10 C26 C27 C28 3.3(9) . . . . ?
C25 C26 C27 C46 4.7(12) . . . . ?
C10 C26 C27 C46 151.7(7) . . . . ?
C46 C27 C28 C29 5.1(11) . . . . ?
C26 C27 C28 C29 153.6(7) . . . . ?
C46 C27 C28 C11 -148.1(7) . . . . ?
C26 C27 C28 C11 0.4(9) . . . . ?
C12 C11 C28 C27 147.2(7) . . . . ?
C10 C11 C28 C27 -3.8(8) . . . . ?
C12 C11 C28 C29 -4.4(11) . . . . ?
C10 C11 C28 C29 -155.3(7) . . . . ?
C27 C28 C29 C48 6.9(10) . . . . ?
C11 C28 C29 C48 155.7(7) . . . . ?
C27 C28 C29 C30 -142.1(7) . . . . ?
C11 C28 C29 C30 6.7(11) . . . . ?
C48 C29 C30 C51 0.4(10) . . . . ?
C28 C29 C30 C51 149.8(7) . . . . ?
C48 C29 C30 C31 -149.9(7) . . . . ?
C28 C29 C30 C31 -0.5(10) . . . . ?
C11 C12 C31 C32 -142.2(7) . . . . ?
C13 C12 C31 C32 15.3(8) . . . . ?
C11 C12 C31 C30 10.8(11) . . . . ?
C13 C12 C31 C30 168.2(7) . . . . ?
C51 C30 C31 C32 -8.1(10) . . . . ?
C29 C30 C31 C32 142.7(7) . . . . ?
C51 C30 C31 C12 -159.0(7) . . . . ?
C29 C30 C31 C12 -8.3(11) . . . . ?
C12 C31 C32 C33 151.4(7) . . . . ?
C30 C31 C32 C33 -3.7(11) . . . . ?
C12 C31 C32 C14 -3.4(8) . . . . ?
C30 C31 C32 C14 -158.6(7) . . . . ?
C15 C14 C32 C33 -4.0(11) . . . . ?
C13 C14 C32 C33 -165.4(7) . . . . ?
C15 C14 C32 C31 151.3(7) . . . . ?
C13 C14 C32 C31 -10.1(8) . . . . ?
C31 C32 C33 C52 14.0(11) . . . . ?
C14 C32 C33 C52 165.9(7) . . . . ?
C31 C32 C33 C34 -138.8(8) . . . . ?
C14 C32 C33 C34 13.1(11) . . . . ?
C32 C33 C34 C55 148.8(7) . . . . ?
C52 C33 C34 C55 -3.3(11) . . . . ?
C32 C33 C34 C35 -2.9(10) . . . . ?
C52 C33 C34 C35 -154.9(7) . . . . ?
C55 C34 C35 C36 -14.6(11) . . . . ?
C33 C34 C35 C36 136.8(7) . . . . ?
C55 C34 C35 C15 -167.3(7) . . . . ?
C33 C34 C35 C15 -15.8(11) . . . . ?
C14 C15 C35 C36 -128.5(8) . . . . ?
C16 C15 C35 C36 36.4(10) . . . . ?
C14 C15 C35 C34 25.1(11) . . . . ?
C16 C15 C35 C34 -169.9(7) . . . . ?
C34 C35 C36 C37 -2.2(11) . . . . ?
C15 C35 C36 C37 151.5(7) . . . . ?
C34 C35 C36 C17 -160.0(7) . . . . ?
C15 C35 C36 C17 -6.4(9) . . . . ?
C18 C17 C36 C35 131.5(7) . . . . ?
C1 C17 C36 C35 -39.6(9) . . . . ?
C18 C17 C36 C37 -26.6(10) . . . . ?
C1 C17 C36 C37 162.3(6) . . . . ?
C35 C36 C37 C56 17.7(11) . . . . ?
C17 C36 C37 C56 175.4(7) . . . . ?
C35 C36 C37 C38 -134.6(7) . . . . ?
C17 C36 C37 C38 23.1(9) . . . . ?
C20 C19 C38 C39 -15.7(10) . . . . ?
C18 C19 C38 C39 -177.9(6) . . . . ?
C20 C19 C38 C37 139.3(7) . . . . ?
C18 C19 C38 C37 -22.9(9) . . . . ?
C56 C37 C38 C19 -151.1(7) . . . . ?
C36 C37 C38 C19 1.4(9) . . . . ?
C56 C37 C38 C39 3.9(10) . . . . ?
C36 C37 C38 C39 156.4(6) . . . . ?
C19 C38 C39 C40 13.1(10) . . . . ?
C37 C38 C39 C40 -141.9(7) . . . . ?
C19 C38 C39 C58 157.2(7) . . . . ?
C37 C38 C39 C58 2.2(10) . . . . ?
C38 C39 C40 C41 1.1(10) . . . . ?
C58 C39 C40 C41 -147.2(7) . . . . ?
C38 C39 C40 C60 148.3(6) . . . . ?
C58 C39 C40 C60 0.0(8) . . . . ?
C39 C40 C41 C20 -12.9(11) . . . . ?
C60 C40 C41 C20 -154.5(7) . . . . ?
C39 C40 C41 C42 143.2(7) . . . . ?
C60 C40 C41 C42 1.6(11) . . . . ?
C19 C20 C41 C40 10.3(10) . . . . ?
C21 C20 C41 C40 164.2(7) . . . . ?
C19 C20 C41 C42 -145.7(7) . . . . ?
C21 C20 C41 C42 8.2(10) . . . . ?
C40 C41 C42 C43 -156.3(7) . . . . ?
C20 C41 C42 C43 0.2(11) . . . . ?
C40 C41 C42 C62 -5.8(10) . . . . ?
C20 C41 C42 C62 150.7(7) . . . . ?
C62 C42 C43 C44 -14.3(11) . . . . ?
C41 C42 C43 C44 136.5(8) . . . . ?
C62 C42 C43 C22 -159.3(7) . . . . ?
C41 C42 C43 C22 -8.5(11) . . . . ?
C23 C22 C43 C42 153.0(7) . . . . ?
C21 C22 C43 C42 8.4(11) . . . . ?
C23 C22 C43 C44 3.7(9) . . . . ?
C21 C22 C43 C44 -140.8(8) . . . . ?
C42 C43 C44 C45 -1.3(11) . . . . ?
C22 C43 C44 C45 147.8(7) . . . . ?
C42 C43 C44 C25 -147.8(7) . . . . ?
C22 C43 C44 C25 1.3(9) . . . . ?
C26 C25 C44 C43 134.4(8) . . . . ?
C23 C25 C44 C43 -5.6(9) . . . . ?
C26 C25 C44 C45 -11.3(12) . . . . ?
C23 C25 C44 C45 -151.4(8) . . . . ?
C43 C44 C45 C63 15.8(11) . . . . ?
C25 C44 C45 C63 157.3(7) . . . . ?
C43 C44 C45 C46 -134.3(8) . . . . ?
C25 C44 C45 C46 7.3(11) . . . . ?
C28 C27 C46 C47 -13.9(11) . . . . ?
C26 C27 C46 C47 -157.8(7) . . . . ?
C28 C27 C46 C45 135.5(8) . . . . ?
C26 C27 C46 C45 -8.5(12) . . . . ?
C63 C45 C46 C47 2.5(10) . . . . ?
C44 C45 C46 C47 151.5(7) . . . . ?
C63 C45 C46 C27 -146.6(7) . . . . ?
C44 C45 C46 C27 2.4(11) . . . . ?
C27 C46 C47 C48 10.8(10) . . . . ?
C45 C46 C47 C48 -138.8(7) . . . . ?
C27 C46 C47 C65 154.2(7) . . . . ?
C45 C46 C47 C65 4.6(10) . . . . ?
C28 C29 C48 C47 -9.9(11) . . . . ?
C30 C29 C48 C47 139.4(8) . . . . ?
C28 C29 C48 C49 -153.2(7) . . . . ?
C30 C29 C48 C49 -3.9(11) . . . . ?
C46 C47 C48 C29 0.9(11) . . . . ?
C65 C47 C48 C29 -146.6(7) . . . . ?
C46 C47 C48 C49 148.9(7) . . . . ?
C65 C47 C48 C49 1.4(8) . . . . ?
C29 C48 C49 C50 3.7(11) . . . . ?
C47 C48 C49 C50 -143.8(7) . . . . ?
C29 C48 C49 C66 146.3(7) . . . . ?
C47 C48 C49 C66 -1.3(8) . . . . ?
C48 C49 C50 C69 139.2(8) . . . . ?
C66 C49 C50 C69 0.7(11) . . . . ?
C48 C49 C50 C51 0.1(11) . . . . ?
C66 C49 C50 C51 -138.4(7) . . . . ?
C31 C30 C51 C52 9.3(11) . . . . ?
C29 C30 C51 C52 -140.2(7) . . . . ?
C31 C30 C51 C50 152.9(7) . . . . ?
C29 C30 C51 C50 3.4(11) . . . . ?
C49 C50 C51 C30 -3.7(11) . . . . ?
C69 C50 C51 C30 -146.8(7) . . . . ?
C49 C50 C51 C52 144.6(7) . . . . ?
C69 C50 C51 C52 1.4(9) . . . . ?
C32 C33 C52 C51 -12.5(10) . . . . ?
C34 C33 C52 C51 139.9(8) . . . . ?
C32 C33 C52 C53 -153.7(7) . . . . ?
C34 C33 C52 C53 -1.3(12) . . . . ?
C30 C51 C52 C33 1.1(11) . . . . ?
C50 C51 C52 C33 -147.3(7) . . . . ?
C30 C51 C52 C53 146.6(8) . . . . ?
C50 C51 C52 C53 -1.7(9) . . . . ?
C33 C52 C53 C54 3.0(12) . . . . ?
C51 C52 C53 C54 -141.7(8) . . . . ?
C33 C52 C53 C69 146.1(8) . . . . ?
C51 C52 C53 C69 1.4(9) . . . . ?
C52 C53 C54 C55 0.0(12) . . . . ?
C69 C53 C54 C55 -138.4(8) . . . . ?
C52 C53 C54 C71 138.2(8) . . . . ?
C69 C53 C54 C71 -0.2(13) . . . . ?
C35 C34 C55 C56 16.2(11) . . . . ?
C33 C34 C55 C56 -135.4(8) . . . . ?
C35 C34 C55 C54 158.1(7) . . . . ?
C33 C34 C55 C54 6.4(12) . . . . ?
C53 C54 C55 C34 -4.9(12) . . . . ?
C71 C54 C55 C34 -147.6(8) . . . . ?
C53 C54 C55 C56 141.2(8) . . . . ?
C71 C54 C55 C56 -1.5(9) . . . . ?
C36 C37 C56 C55 -16.2(10) . . . . ?
C38 C37 C56 C55 135.9(7) . . . . ?
C36 C37 C56 C57 -159.2(7) . . . . ?
C38 C37 C56 C57 -7.1(11) . . . . ?
C34 C55 C56 C37 -0.9(11) . . . . ?
C54 C55 C56 C37 -147.8(7) . . . . ?
C34 C55 C56 C57 147.3(7) . . . . ?
C54 C55 C56 C57 0.4(9) . . . . ?
C37 C56 C57 C58 4.0(11) . . . . ?
C55 C56 C57 C58 -142.5(7) . . . . ?
C37 C56 C57 C71 147.4(7) . . . . ?
C55 C56 C57 C71 0.9(9) . . . . ?
C56 C57 C58 C59 139.6(7) . . . . ?
C71 C57 C58 C59 0.1(11) . . . . ?
C56 C57 C58 C39 2.4(11) . . . . ?
C71 C57 C58 C39 -137.1(7) . . . . ?
C38 C39 C58 C57 -5.4(11) . . . . ?
C40 C39 C58 C57 142.1(7) . . . . ?
C38 C39 C58 C59 -147.0(7) . . . . ?
C40 C39 C58 C59 0.6(8) . . . . ?
C57 C58 C59 C72 -1.1(12) . . . . ?
C39 C58 C59 C72 140.2(7) . . . . ?
C57 C58 C59 C60 -142.3(7) . . . . ?
C39 C58 C59 C60 -0.9(8) . . . . ?
C72 C59 C60 C61 2.5(10) . . . . ?
C58 C59 C60 C61 144.1(7) . . . . ?
C72 C59 C60 C40 -140.7(7) . . . . ?
C58 C59 C60 C40 0.9(8) . . . . ?
C41 C40 C60 C61 2.0(11) . . . . ?
C39 C40 C60 C61 -144.0(7) . . . . ?
C41 C40 C60 C59 145.4(7) . . . . ?
C39 C40 C60 C59 -0.6(8) . . . . ?
C59 C60 C61 C74 -2.0(11) . . . . ?
C40 C60 C61 C74 137.6(8) . . . . ?
C59 C60 C61 C62 -140.7(7) . . . . ?
C40 C60 C61 C62 -1.1(11) . . . . ?
C43 C42 C62 C63 15.1(11) . . . . ?
C41 C42 C62 C63 -136.1(8) . . . . ?
C43 C42 C62 C61 158.1(7) . . . . ?
C41 C42 C62 C61 6.9(11) . . . . ?
C60 C61 C62 C42 -3.4(11) . . . . ?
C74 C61 C62 C42 -146.6(7) . . . . ?
C60 C61 C62 C63 143.2(7) . . . . ?
C74 C61 C62 C63 0.0(8) . . . . ?
C44 C45 C63 C62 -14.8(11) . . . . ?
C46 C45 C63 C62 134.6(8) . . . . ?
C44 C45 C63 C64 -156.7(7) . . . . ?
C46 C45 C63 C64 -7.3(11) . . . . ?
C42 C62 C63 C45 -0.6(12) . . . . ?
C61 C62 C63 C45 -148.4(7) . . . . ?
C42 C62 C63 C64 146.1(7) . . . . ?
C61 C62 C63 C64 -1.8(8) . . . . ?
C45 C63 C64 C65 4.8(11) . . . . ?
C62 C63 C64 C65 -141.8(7) . . . . ?
C45 C63 C64 C74 149.6(7) . . . . ?
C62 C63 C64 C74 3.0(8) . . . . ?
C74 C64 C65 C47 -137.3(8) . . . . ?
C63 C64 C65 C47 2.5(11) . . . . ?
C74 C64 C65 C66 0.2(10) . . . . ?
C63 C64 C65 C66 140.0(7) . . . . ?
C46 C47 C65 C64 -7.3(11) . . . . ?
C48 C47 C65 C64 139.9(7) . . . . ?
C46 C47 C65 C66 -148.3(7) . . . . ?
C48 C47 C65 C66 -1.1(8) . . . . ?
C64 C65 C66 C67 0.8(10) . . . . ?
C47 C65 C66 C67 143.2(7) . . . . ?
C64 C65 C66 C49 -142.2(7) . . . . ?
C47 C65 C66 C49 0.3(8) . . . . ?
C50 C49 C66 C67 -0.1(11) . . . . ?
C48 C49 C66 C67 -142.8(7) . . . . ?
C50 C49 C66 C65 143.3(7) . . . . ?
C48 C49 C66 C65 0.6(8) . . . . ?
C65 C66 C67 C73 -1.5(10) . . . . ?
C49 C66 C67 C73 136.4(8) . . . . ?
C65 C66 C67 C68 -137.8(8) . . . . ?
C49 C66 C67 C68 0.1(11) . . . . ?
C66 C67 C68 C69 -0.7(11) . . . . ?
C73 C67 C68 C69 -141.8(7) . . . . ?
C66 C67 C68 C70 140.1(7) . . . . ?
C73 C67 C68 C70 -1.0(8) . . . . ?
C70 C68 C69 C50 -134.4(8) . . . . ?
C67 C68 C69 C50 1.3(11) . . . . ?
C70 C68 C69 C53 3.1(13) . . . . ?
C67 C68 C69 C53 138.8(8) . . . . ?
C49 C50 C69 C68 -1.4(11) . . . . ?
C51 C50 C69 C68 141.2(8) . . . . ?
C49 C50 C69 C53 -143.1(7) . . . . ?
C51 C50 C69 C53 -0.5(9) . . . . ?
C54 C53 C69 C68 -0.8(13) . . . . ?
C52 C53 C69 C68 -143.7(8) . . . . ?
C54 C53 C69 C50 142.4(8) . . . . ?
C52 C53 C69 C50 -0.5(9) . . . . ?
C69 C68 C70 C71 -4.5(13) . . . . ?
C67 C68 C70 C71 -143.6(8) . . . . ?
C69 C68 C70 C72 139.8(8) . . . . ?
C67 C68 C70 C72 0.7(9) . . . . ?
C68 C70 C71 C57 136.7(8) . . . . ?
C72 C70 C71 C57 -4.0(12) . . . . ?
C68 C70 C71 C54 3.4(13) . . . . ?
C72 C70 C71 C54 -137.2(8) . . . . ?
C58 C57 C71 C70 2.5(12) . . . . ?
C56 C57 C71 C70 -140.2(8) . . . . ?
C58 C57 C71 C54 140.8(8) . . . . ?
C56 C57 C71 C54 -1.8(9) . . . . ?
C53 C54 C71 C70 -1.1(13) . . . . ?
C55 C54 C71 C70 140.9(8) . . . . ?
C53 C54 C71 C57 -140.0(8) . . . . ?
C55 C54 C71 C57 2.0(9) . . . . ?
C58 C59 C72 C73 -137.0(8) . . . . ?
C60 C59 C72 C73 -0.8(10) . . . . ?
C58 C59 C72 C70 -0.5(12) . . . . ?
C60 C59 C72 C70 135.8(8) . . . . ?
C71 C70 C72 C59 3.0(12) . . . . ?
C68 C70 C72 C59 -141.7(8) . . . . ?
C71 C70 C72 C73 144.6(7) . . . . ?
C68 C70 C72 C73 -0.1(9) . . . . ?
C59 C72 C73 C74 -1.3(11) . . . . ?
C70 C72 C73 C74 -142.6(7) . . . . ?
C59 C72 C73 C67 140.8(7) . . . . ?
C70 C72 C73 C67 -0.5(9) . . . . ?
C66 C67 C73 C74 1.3(10) . . . . ?
C68 C67 C73 C74 143.0(7) . . . . ?
C66 C67 C73 C72 -140.7(7) . . . . ?
C68 C67 C73 C72 1.0(8) . . . . ?
C72 C73 C74 C61 1.8(10) . . . . ?
C67 C73 C74 C61 -136.1(7) . . . . ?
C72 C73 C74 C64 137.5(7) . . . . ?
C67 C73 C74 C64 -0.4(10) . . . . ?
C60 C61 C74 C73 -0.2(11) . . . . ?
C62 C61 C74 C73 142.2(7) . . . . ?
C60 C61 C74 C64 -140.5(7) . . . . ?
C62 C61 C74 C64 1.9(8) . . . . ?
C65 C64 C74 C73 -0.3(11) . . . . ?
C63 C64 C74 C73 -143.6(7) . . . . ?
C65 C64 C74 C61 140.2(7) . . . . ?
C63 C64 C74 C61 -3.0(8) . . . . ?
C2 C1 C75 N1 -127.8(7) . . . . ?
C17 C1 C75 N1 108.3(7) . . . . ?
C16 C1 C75 N1 -7.4(9) . . . . ?
C2 C1 C75 C76 53.3(9) . . . . ?
C17 C1 C75 C76 -70.6(9) . . . . ?
C16 C1 C75 C76 173.7(7) . . . . ?
N1 C75 C76 C77 0.6(12) . . . . ?
C1 C75 C76 C77 179.3(7) . . . . ?
C75 C76 C77 C78 -0.5(12) . . . . ?
C76 C77 C78 C79 0.0(12) . . . . ?
C77 C78 C79 N1 0.4(13) . . . . ?
C77 C78 C79 C80 178.8(8) . . . . ?
C76 C75 N1 C79 -0.2(11) . . . . ?
C1 C75 N1 C79 -179.0(7) . . . . ?
C78 C79 N1 C75 -0.3(12) . . . . ?
C80 C79 N1 C75 -178.9(7) . . . . ?
N1 C79 C80 C82 70.8(10) . . . . ?
C78 C79 C80 C82 -107.8(10) . . . . ?
N1 C79 C80 C81 -167.9(8) . . . . ?
C78 C79 C80 C81 13.5(12) . . . . ?
N1 C79 C80 C83 -48.0(10) . . . . ?
C78 C79 C80 C83 133.5(9) . . . . ?
C18 C4 C84 N2 29.3(8) . . . . ?
C3 C4 C84 N2 -94.0(8) . . . . ?
C5 C4 C84 N2 143.1(6) . . . . ?
C18 C4 C84 C85 -153.6(6) . . . . ?
C3 C4 C84 C85 83.2(8) . . . . ?
C5 C4 C84 C85 -39.8(9) . . . . ?
N2 C84 C85 C86 -0.1(11) . . . . ?
C4 C84 C85 C86 -177.0(6) . . . . ?
C84 C85 C86 C87 -0.6(11) . . . . ?
C85 C86 C87 C88 0.4(11) . . . . ?
C86 C87 C88 N2 0.6(11) . . . . ?
C86 C87 C88 C89 -177.0(7) . . . . ?
N2 C88 C89 C91 169.2(7) . . . . ?
C87 C88 C89 C91 -13.1(11) . . . . ?
N2 C88 C89 C90 48.0(9) . . . . ?
C87 C88 C89 C90 -134.3(8) . . . . ?
N2 C88 C89 C92 -70.7(9) . . . . ?
C87 C88 C89 C92 107.0(9) . . . . ?
C85 C84 N2 C88 1.0(10) . . . . ?
C4 C84 N2 C88 178.1(6) . . . . ?
C87 C88 N2 C84 -1.3(10) . . . . ?
C89 C88 N2 C84 176.5(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        24.75
_diffrn_measured_fraction_theta_full 0.940
_refine_diff_density_max         0.829
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.122
