# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_luc2_0m
_database_code_depnum_ccdc_archive 'CCDC 1972525'
loop_
_audit_author_name
_audit_author_address
'Giorgio Pelosi'
;University of Parma
Italy
;
_audit_update_record             
;
2019-12-17 deposited with the CCDC.	2020-04-16 downloaded from the CCDC.
;
_audit_creation_date             2019-12-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '16(C35 H33 N O4)'
_chemical_formula_sum            'C560 H528 N16 O64'
_chemical_formula_weight         8505.95
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F 2 d d'
_space_group_name_Hall           'F -2d 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, -z'
'x+1/4, y+1/4, -z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'x+1/4, y+3/4, -z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'x+1/2, -y, -z+1/2'
'x+3/4, y+1/4, -z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, -z'
'x+3/4, y+3/4, -z+1/4'
'x+3/4, -y+3/4, z+1/4'

_cell_length_a                   8.4764(13)
_cell_length_b                   33.008(5)
_cell_length_c                   40.934(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11453(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3730
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      19.305
_cell_measurement_theta_min      2.341
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1759 before and 0.0562 after correction.
The Ratio of minimum to maximum transmission is 0.8842.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prim
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            34654
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.464
_diffrn_reflns_theta_min         1.585
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker AXS CCD diffractometer'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.869
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                3900
_reflns_number_total             5881
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.112
_refine_diff_density_min         -0.147
_refine_diff_density_rms         0.029
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         5881
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0366P)²+2.5070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.1049
_refine_special_details          
'Refined as a 2-component perfect inversion twin.,Twin'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H0AA,H0AB,H0AC} of C0AA, All C(H,H) groups
 At 1.5 times of:
  {H5CA,H5CB,H5CC} of C5CA, {H2DA,H2DB,H2DC} of C2DA, {H4DA,H4DB,H4DC} of C4DA
2.a Secondary CH2 refined with riding coordinates:
 C6BA(H6BA,H6BB)
2.b Aromatic/amide H refined with riding coordinates:
 C0BA(H0BA), C1BA(H1BA), C3BA(H3BA), C4BA(H4BA), C5BA(H5BA), C7BA(H7BA),
 C8BA(H8BA), C9BA(H9BA), C0CA(H0CA), C1CA(H1CA), C2CA(H2CA), C3CA(H3CA),
 C4CA(H4CA), C7CA(H7CA), C8CA(H8CA), C9CA(H9CA), C0DA(H0DA), C1DA(H1DA),
 C3DA(H3DA)
2.c Idealised Me refined as rotating group:
 C0AA(H0AA,H0AB,H0AC), C5CA(H5CA,H5CB,H5CC), C2DA(H2DA,H2DB,H2DC), C4DA(H4DA,
 H4DB,H4DC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O0AA O 0.2768(2) 0.01775(5) 0.12580(4) 0.0421(5) Uani 1 1 d . . . . .
O1AA O 0.0683(3) 0.05263(6) 0.06759(6) 0.0636(7) Uani 1 1 d . . . . .
C5DA C 0.2748(4) -0.00226(8) 0.09393(6) 0.0414(7) Uani 1 1 d . . . . .
N1AA N 0.1138(3) -0.01136(7) 0.08336(6) 0.0459(6) Uani 1 1 d . . . . .
O2AA O 0.3233(4) -0.06520(6) 0.18026(5) 0.0716(7) Uani 1 1 d . . . . .
C2AA C 0.0699(4) -0.05062(8) 0.09431(7) 0.0460(8) Uani 1 1 d . . . . .
C3AA C 0.3394(4) -0.04219(8) 0.10977(6) 0.0416(7) Uani 1 1 d . . . . .
C4AA C 0.2254(4) -0.00140(9) 0.19629(7) 0.0480(8) Uani 1 1 d . . . . .
O3AA O -0.1212(3) 0.00538(7) 0.06003(7) 0.0811(8) Uani 1 1 d . . . . .
C5AA C 0.1935(4) -0.06862(8) 0.11106(7) 0.0454(8) Uani 1 1 d . . . . .
C6AA C 0.3023(4) -0.02974(9) 0.17308(7) 0.0472(8) Uani 1 1 d . . . . .
C7AA C 0.4717(4) -0.08093(10) 0.06140(8) 0.0538(8) Uani 1 1 d . . . . .
C8AA C 0.0075(5) 0.01517(10) 0.06922(8) 0.0558(9) Uani 1 1 d . . . . .
C9AA C 0.5403(4) -0.00231(9) 0.14701(7) 0.0468(8) Uani 1 1 d . . . . .
C0BA C 0.2406(5) 0.04029(10) 0.19450(7) 0.0587(9) Uani 1 1 d . . . . .
H0BA H 0.2995 0.0520 0.1778 0.070 Uiso 1 1 calc R . . . .
C1BA C 0.5926(4) 0.03588(11) 0.13906(8) 0.0604(9) Uani 1 1 d . . . . .
H1BA H 0.5227 0.0548 0.1304 0.072 Uiso 1 1 calc R . . . .
C2BA C 0.3695(4) -0.01475(8) 0.14075(7) 0.0412(7) Uani 1 1 d . . . . .
C3BA C -0.0715(5) -0.07076(10) 0.08935(9) 0.0628(9) Uani 1 1 d . . . . .
H3BA H -0.1534 -0.0588 0.0777 0.075 Uiso 1 1 calc R . . . .
C0AA C 0.3737(4) 0.02008(10) 0.06946(7) 0.0567(9) Uani 1 1 d . . . . .
H0AA H 0.3536 0.0095 0.0480 0.068 Uiso 1 1 calc GR . . . .
H0AB H 0.4833 0.0166 0.0747 0.068 Uiso 1 1 calc GR . . . .
H0AC H 0.3476 0.0484 0.0700 0.068 Uiso 1 1 calc GR . . . .
C4BA C 0.6471(5) -0.02950(11) 0.16029(9) 0.0642(10) Uani 1 1 d . . . . .
H4BA H 0.6133 -0.0552 0.1663 0.077 Uiso 1 1 calc R . . . .
C5BA C -0.0864(5) -0.10931(11) 0.10241(10) 0.0718(11) Uani 1 1 d . . . . .
H5BA H -0.1801 -0.1235 0.0994 0.086 Uiso 1 1 calc R . . . .
C6BA C 0.4848(4) -0.06355(10) 0.09564(7) 0.0521(8) Uani 1 1 d . . . . .
H6BA H 0.5716 -0.0444 0.0958 0.062 Uiso 1 1 calc R . . . .
H6BB H 0.5129 -0.0855 0.1103 0.062 Uiso 1 1 calc R . . . .
C7BA C 0.1744(5) -0.10700(9) 0.12423(8) 0.0571(9) Uani 1 1 d . . . . .
H7BA H 0.2556 -0.1191 0.1360 0.069 Uiso 1 1 calc R . . . .
C8BA C 0.8018(6) -0.01888(14) 0.16459(11) 0.0868(13) Uani 1 1 d . . . . .
H8BA H 0.8726 -0.0376 0.1731 0.104 Uiso 1 1 calc R . . . .
C9BA C 0.0337(5) -0.12707(10) 0.11966(9) 0.0685(11) Uani 1 1 d . . . . .
H9BA H 0.0200 -0.1529 0.1283 0.082 Uiso 1 1 calc R . . . .
C0CA C 0.7493(5) 0.04634(13) 0.14387(11) 0.0799(12) Uani 1 1 d . . . . .
H0CA H 0.7839 0.0722 0.1385 0.096 Uiso 1 1 calc R . . . .
C1CA C 0.8528(5) 0.01896(15) 0.15646(11) 0.0859(13) Uani 1 1 d . . . . .
H1CA H 0.9580 0.0260 0.1595 0.103 Uiso 1 1 calc R . . . .
C2CA C 0.5466(5) -0.06224(12) 0.03571(8) 0.0690(10) Uani 1 1 d . . . . .
H2CA H 0.5994 -0.0379 0.0392 0.083 Uiso 1 1 calc R . . . .
C3CA C 0.5444(6) -0.07923(16) 0.00463(9) 0.0870(13) Uani 1 1 d . . . . .
H3CA H 0.5936 -0.0659 -0.0126 0.104 Uiso 1 1 calc R . . . .
C4CA C 0.1364(5) -0.01781(12) 0.22146(8) 0.0721(11) Uani 1 1 d . . . . .
H4CA H 0.1251 -0.0458 0.2231 0.087 Uiso 1 1 calc R . . . .
C5CA C -0.0228(7) 0.06846(14) 0.01218(10) 0.0990(16) Uani 1 1 d . . . . .
H5CA H 0.0806 0.0613 0.0045 0.149 Uiso 1 1 calc GR . . . .
H5CB H -0.0659 0.0893 -0.0015 0.149 Uiso 1 1 calc GR . . . .
H5CC H -0.0899 0.0451 0.0115 0.149 Uiso 1 1 calc GR . . . .
C6CA C -0.0119(5) 0.08376(10) 0.04701(9) 0.0694(11) Uani 1 1 d . . . . .
C7CA C 0.0802(6) 0.04741(16) 0.24198(11) 0.0974(15) Uani 1 1 d . . . . .
H7CA H 0.0306 0.0638 0.2574 0.117 Uiso 1 1 calc R . . . .
C8CA C 0.1675(6) 0.06471(12) 0.21770(10) 0.0833(13) Uani 1 1 d . . . . .
H8CA H 0.1781 0.0927 0.2167 0.100 Uiso 1 1 calc R . . . .
C9CA C 0.3948(6) -0.11669(13) 0.05479(10) 0.0948(16) Uani 1 1 d . . . . .
H9CA H 0.3415 -0.1298 0.0716 0.114 Uiso 1 1 calc R . . . .
C0DA C 0.0652(6) 0.00686(16) 0.24390(11) 0.0981(15) Uani 1 1 d . . . . .
H0DA H 0.0059 -0.0045 0.2607 0.118 Uiso 1 1 calc R . . . .
C1DA C 0.3941(8) -0.13368(16) 0.02418(13) 0.130(2) Uani 1 1 d . . . . .
H1DA H 0.3410 -0.1579 0.0205 0.156 Uiso 1 1 calc R . . . .
C2DA C 0.1023(7) 0.11912(12) 0.04970(12) 0.1008(15) Uani 1 1 d . . . . .
H2DA H 0.1151 0.1264 0.0722 0.151 Uiso 1 1 calc GR . . . .
H2DB H 0.0614 0.1419 0.0378 0.151 Uiso 1 1 calc GR . . . .
H2DC H 0.2026 0.1114 0.0408 0.151 Uiso 1 1 calc GR . . . .
C3DA C 0.4717(7) -0.11486(19) -0.00078(12) 0.1091(17) Uani 1 1 d . . . . .
H3DA H 0.4744 -0.1266 -0.0214 0.131 Uiso 1 1 calc R . . . .
C4DA C -0.1678(6) 0.09477(12) 0.06222(10) 0.0873(13) Uani 1 1 d . . . . .
H4DA H -0.2341 0.0712 0.0631 0.131 Uiso 1 1 calc GR . . . .
H4DB H -0.2180 0.1154 0.0493 0.131 Uiso 1 1 calc GR . . . .
H4DC H -0.1506 0.1048 0.0840 0.131 Uiso 1 1 calc GR . . . .


_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
O0AA C5DA 1.463(3) . ?
O0AA C2BA 1.464(3) . ?
O1AA C8AA 1.341(4) . ?
O1AA C6CA 1.493(4) . ?
C5DA N1AA 1.462(4) . ?
C5DA C3AA 1.568(4) . ?
C5DA C0AA 1.500(4) . ?
N1AA C2AA 1.421(4) . ?
N1AA C8AA 1.384(4) . ?
O2AA C6AA 1.220(3) . ?
C2AA C5AA 1.386(4) . ?
C2AA C3BA 1.385(5) . ?
C3AA C5AA 1.515(4) . ?
C3AA C2BA 1.579(4) . ?
C3AA C6BA 1.533(4) . ?
C4AA C6AA 1.484(4) . ?
C4AA C0BA 1.384(4) . ?
C4AA C4CA 1.387(5) . ?
O3AA C8AA 1.198(4) . ?
C5AA C7BA 1.386(4) . ?
C6AA C2BA 1.523(4) . ?
C7AA C6BA 1.518(4) . ?
C7AA C2CA 1.374(5) . ?
C7AA C9CA 1.375(5) . ?
C9AA C1BA 1.375(5) . ?
C9AA C2BA 1.527(4) . ?
C9AA C4BA 1.386(4) . ?
C0BA C8CA 1.391(5) . ?
C1BA C0CA 1.386(5) . ?
C3BA C5BA 1.386(5) . ?
C4BA C8BA 1.369(6) . ?
C5BA C9BA 1.370(6) . ?
C7BA C9BA 1.377(5) . ?
C8BA C1CA 1.363(6) . ?
C0CA C1CA 1.361(6) . ?
C2CA C3CA 1.391(5) . ?
C3CA C3DA 1.346(6) . ?
C4CA C0DA 1.368(6) . ?
C5CA C6CA 1.515(6) . ?
C6CA C2DA 1.521(6) . ?
C6CA C4DA 1.505(6) . ?
C7CA C8CA 1.364(6) . ?
C7CA C0DA 1.347(6) . ?
C9CA C1DA 1.373(6) . ?
C1DA C3DA 1.365(7) . ?

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
C5DA O0AA C2BA 92.76(18) . . ?
C8AA O1AA C6CA 119.2(3) . . ?
O0AA C5DA C3AA 90.38(18) . . ?
O0AA C5DA C0AA 111.5(2) . . ?
N1AA C5DA O0AA 111.6(2) . . ?
N1AA C5DA C3AA 106.0(2) . . ?
N1AA C5DA C0AA 115.2(2) . . ?
C0AA C5DA C3AA 119.6(3) . . ?
C2AA N1AA C5DA 109.8(2) . . ?
C8AA N1AA C5DA 127.0(3) . . ?
C8AA N1AA C2AA 122.6(3) . . ?
C5AA C2AA N1AA 110.4(3) . . ?
C3BA C2AA N1AA 128.2(3) . . ?
C3BA C2AA C5AA 121.4(3) . . ?
C5DA C3AA C2BA 84.63(19) . . ?
C5AA C3AA C5DA 102.3(2) . . ?
C5AA C3AA C2BA 115.7(2) . . ?
C5AA C3AA C6BA 113.9(2) . . ?
C6BA C3AA C5DA 120.8(2) . . ?
C6BA C3AA C2BA 115.9(2) . . ?
C0BA C4AA C6AA 123.5(3) . . ?
C0BA C4AA C4CA 118.5(3) . . ?
C4CA C4AA C6AA 117.9(3) . . ?
C2AA C5AA C3AA 110.7(2) . . ?
C2AA C5AA C7BA 119.7(3) . . ?
C7BA C5AA C3AA 129.5(3) . . ?
O2AA C6AA C4AA 120.9(3) . . ?
O2AA C6AA C2BA 117.8(3) . . ?
C4AA C6AA C2BA 121.0(2) . . ?
C2CA C7AA C6BA 120.2(3) . . ?
C2CA C7AA C9CA 117.0(3) . . ?
C9CA C7AA C6BA 122.7(3) . . ?
O1AA C8AA N1AA 110.7(3) . . ?
O3AA C8AA O1AA 125.7(3) . . ?
O3AA C8AA N1AA 123.6(3) . . ?
C1BA C9AA C2BA 120.8(3) . . ?
C1BA C9AA C4BA 118.4(3) . . ?
C4BA C9AA C2BA 120.7(3) . . ?
C4AA C0BA C8CA 119.9(4) . . ?
C9AA C1BA C0CA 120.2(4) . . ?
O0AA C2BA C3AA 89.9(2) . . ?
O0AA C2BA C6AA 113.6(2) . . ?
O0AA C2BA C9AA 112.4(2) . . ?
C6AA C2BA C3AA 116.8(2) . . ?
C6AA C2BA C9AA 107.2(2) . . ?
C9AA C2BA C3AA 116.2(2) . . ?
C2AA C3BA C5BA 117.6(4) . . ?
C8BA C4BA C9AA 120.7(4) . . ?
C9BA C5BA C3BA 121.6(4) . . ?
C7AA C6BA C3AA 117.6(3) . . ?
C9BA C7BA C5AA 119.2(3) . . ?
C1CA C8BA C4BA 120.5(4) . . ?
C5BA C9BA C7BA 120.5(3) . . ?
C1CA C0CA C1BA 120.4(4) . . ?
C0CA C1CA C8BA 119.8(4) . . ?
C7AA C2CA C3CA 120.9(4) . . ?
C3DA C3CA C2CA 120.6(4) . . ?
C0DA C4CA C4AA 120.4(4) . . ?
O1AA C6CA C5CA 109.2(3) . . ?
O1AA C6CA C2DA 101.4(3) . . ?
O1AA C6CA C4DA 109.4(3) . . ?
C5CA C6CA C2DA 111.2(4) . . ?
C4DA C6CA C5CA 114.6(4) . . ?
C4DA C6CA C2DA 110.1(3) . . ?
C0DA C7CA C8CA 120.6(4) . . ?
C7CA C8CA C0BA 119.7(4) . . ?
C1DA C9CA C7AA 122.1(4) . . ?
C7CA C0DA C4CA 120.7(4) . . ?
C3DA C1DA C9CA 119.7(5) . . ?
C3CA C3DA C1DA 119.7(4) . . ?
