# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_idl25fin
_audit_block_doi                 10.5517/ccdc.csd.cc2pqzhx
_database_code_depnum_ccdc_archive 'CCDC 2494740'
loop_
_audit_author_name
_audit_author_address
'Vladimir Lazarenko'
;NRC Kurchatov institute
Russia
;
_audit_update_record             
;
2025-10-15 deposited with the CCDC.	2026-01-20 downloaded from the CCDC.
;
_audit_creation_date             2025-10-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H62 N2'
_chemical_formula_sum            'C48 H62 N2'
_chemical_formula_weight         666.99
_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 0.0027 0.0018 '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 0.0051 0.0037 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.450(2)
_cell_length_b                   17.730(4)
_cell_length_c                   22.280(5)
_cell_angle_alpha                70.99(3)
_cell_angle_beta                 82.26(3)
_cell_angle_gamma                80.61(3)
_cell_volume                     3835.8(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    118589
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.896
_cell_measurement_theta_min      1.297
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.993
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.971
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XDS, Kabsh 2010'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.155
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            64321
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        26.848
_diffrn_reflns_theta_max         30.896
_diffrn_reflns_theta_min         1.297
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Rayonix CCD 165'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7527
_diffrn_source                   synchrotron
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11858
_reflns_number_total             19437
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     909
_refine_ls_number_reflns         19437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1006
_refine_ls_R_factor_gt           0.0566
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1004P)²+0.1586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1503
_refine_ls_wR_factor_ref         0.1781
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C01J(H01A,H01B), C01W(H01F,H01G), C02B(H02A,H02B), C02C(H02C,H02D), C02D(H02E,
 H02F), C02E(H02G,H02H), C02G(H02I,H02J), C02H(H02K,H02L), C02I(H02M,H02N),
 C02K(H02P,H02Q), C02M(H02R,H02S), C02N(H02T,H02U), C02R(H02Z,HB), C02S(H02,HC),
  C020(H1,HD), C021(H2,HE), C027(H3,HF), C029(H4,HG), C01A(H01H,H01I),
 C01B(H01J,H01K), C01C(H01L,H01M), C01F(H01N,H01P), C01I(H01R,H01S), C01K(H01T,
 H01U), C01M(H01W,H01X), C01N(H01Z,HH), C01Q(H01,HI), C01R(H5,HJ), C01T(H7,HK),
 C01U(H8,HL), C01X(H9,HM), C012(H13,HR), C014(H14,HS), C023(H15,HT), C024(H16,
 HU), C028(H18,HX)
2.b Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00G(H00G), C00Q(H00Q), C00R(H00R), C00T(H00T), C00U(H00U),
 C01O(H01O), C01V(H01V), C01Y(H01Y), C02J(H02O), C008(H008), C019(H019),
 C022(H022), C025(H025), C00E(H00E), C00F(H00F), C00I(H00I), C00J(H00J),
 C00L(H00L), C00M(H00M), C00O(H00O), C00V(H00V), C00W(H00W), C01H(H01Q),
 C01S(H6), C02F(H10), C005(H005), C016(H016)
2.c Idealised Me refined as rotating group:
 C00K(H00A,H00B,H00D), C01P(H01C,H01D,H01E), C02P(H02V,H02W,H02X), C02Q(H02Y,H,
 HA), C00N(H00H,H00K,H00N), C02L(H11,HN,HO), C02O(H12,HP,HQ), C026(H17,HV,HW)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
N001 N 0.61970(12) 0.59305(7) 0.50407(6) 0.0278(3) Uani 1 1 d . . . . .
N004 N 0.82768(13) 0.41838(7) 0.50432(6) 0.0318(3) Uani 1 1 d . . . . .
C00C C 0.70830(15) 0.71442(9) 0.42682(7) 0.0284(3) Uani 1 1 d . . . . .
H00C H 0.638953 0.751570 0.436655 0.034 Uiso 1 1 calc R U . . .
C00G C 0.53548(15) 0.40706(9) 0.61155(7) 0.0285(3) Uani 1 1 d . . . . .
H00G H 0.463455 0.443066 0.620719 0.034 Uiso 1 1 calc R U . . .
C00H C 0.70949(15) 0.63201(9) 0.45758(7) 0.0279(3) Uani 1 1 d . . . . .
C00K C 0.50543(15) 0.63161(9) 0.53213(7) 0.0310(3) Uani 1 1 d . . . . .
H00A H 0.449676 0.591030 0.557555 0.047 Uiso 1 1 calc R U . . .
H00B H 0.457131 0.671316 0.498253 0.047 Uiso 1 1 calc R U . . .
H00D H 0.532117 0.658585 0.559573 0.047 Uiso 1 1 calc R U . . .
C00P C 0.77866(15) 0.49927(9) 0.48499(7) 0.0289(3) Uani 1 1 d . . . . .
C00Q C 0.54277(15) 0.32548(9) 0.64417(7) 0.0289(3) Uani 1 1 d . . . . .
H00Q H 0.474477 0.306323 0.675503 0.035 Uiso 1 1 calc R U . . .
C00R C 0.53948(15) 0.14552(9) 0.68830(7) 0.0310(3) Uani 1 1 d . . . . .
H00R H 0.457103 0.177449 0.682122 0.037 Uiso 1 1 calc R U . . .
C00S C 0.74136(15) 0.37948(9) 0.55266(7) 0.0293(3) Uani 1 1 d . . . . .
C00T C 0.75411(15) 0.96860(9) 0.34483(8) 0.0325(3) Uani 1 1 d . . . . .
H00T H 0.709867 1.006514 0.364834 0.039 Uiso 1 1 calc R U . . .
C00U C 0.74823(15) 0.29781(9) 0.58581(7) 0.0295(3) Uani 1 1 d . . . . .
H00U H 0.819962 0.261431 0.576920 0.035 Uiso 1 1 calc R U . . .
C00Z C 0.64846(15) 0.26981(9) 0.63235(7) 0.0285(3) Uani 1 1 d . . . . .
C01D C 0.65306(15) 0.18224(9) 0.66752(7) 0.0291(3) Uani 1 1 d . . . . .
C01E C 0.81156(15) 0.57463(9) 0.44345(7) 0.0293(3) Uani 1 1 d . . . . .
C01J C 0.46805(15) 1.40518(9) 0.10776(8) 0.0312(3) Uani 1 1 d . . . . .
H01A H 0.393650 1.390894 0.140003 0.037 Uiso 1 1 calc R U . . .
H01B H 0.455224 1.388518 0.070904 0.037 Uiso 1 1 calc R U . . .
C01L C 0.81311(15) 0.82899(9) 0.34810(7) 0.0296(3) Uani 1 1 d . . . . .
C01O C 0.77663(16) 0.05062(9) 0.70855(8) 0.0328(3) Uani 1 1 d . . . . .
H01O H 0.858890 0.018730 0.715420 0.039 Uiso 1 1 calc R U . . .
C01P C 0.93847(16) 0.37943(9) 0.47415(8) 0.0368(4) Uani 1 1 d . . . . .
H01C H 0.907964 0.346333 0.452656 0.055 Uiso 1 1 calc R U . . .
H01D H 0.995819 0.345248 0.506551 0.055 Uiso 1 1 calc R U . . .
H01E H 0.986542 0.420359 0.442839 0.055 Uiso 1 1 calc R U . . .
C01V C 0.91229(16) 0.60300(9) 0.39712(7) 0.0324(3) Uani 1 1 d . . . . .
H01V H 0.980912 0.566146 0.386288 0.039 Uiso 1 1 calc R U . . .
C01W C 0.32936(16) 1.63330(9) 0.04695(8) 0.0348(3) Uani 1 1 d . . . . .
H01F H 0.350901 1.648523 0.083037 0.042 Uiso 1 1 calc R U . . .
H01G H 0.396239 1.650539 0.011100 0.042 Uiso 1 1 calc R U . . .
C01Y C 0.87935(17) 0.85703(9) 0.28788(8) 0.0353(4) Uani 1 1 d . . . . .
H01Y H 0.922425 0.819335 0.267407 0.042 Uiso 1 1 calc R U . . .
C01Z C 0.66337(15) 0.01359(9) 0.72807(7) 0.0309(3) Uani 1 1 d . . . . .
C02A C 0.82140(16) 0.99601(9) 0.28476(8) 0.0327(3) Uani 1 1 d . . . . .
C02B C 1.16429(16) -0.62917(9) 0.95498(8) 0.0353(4) Uani 1 1 d . . . . .
H02A H 1.099319 -0.639123 0.992473 0.042 Uiso 1 1 calc R U . . .
H02B H 1.136310 -0.650664 0.923716 0.042 Uiso 1 1 calc R U . . .
C02C C 0.91579(16) -0.26456(9) 0.82555(8) 0.0336(3) Uani 1 1 d . . . . .
H02C H 0.982370 -0.254737 0.788736 0.040 Uiso 1 1 calc R U . . .
H02D H 0.944272 -0.245591 0.858172 0.040 Uiso 1 1 calc R U . . .
C02D C 0.59221(15) 1.35807(9) 0.13602(8) 0.0324(3) Uani 1 1 d . . . . .
H02E H 0.606888 1.375840 0.172029 0.039 Uiso 1 1 calc R U . . .
H02F H 0.666441 1.370557 0.103329 0.039 Uiso 1 1 calc R U . . .
C02E C 0.58958(16) 1.26716(9) 0.15971(8) 0.0330(3) Uani 1 1 d . . . . .
H02G H 0.513072 1.254965 0.191002 0.040 Uiso 1 1 calc R U . . .
H02H H 0.578541 1.249152 0.123287 0.040 Uiso 1 1 calc R U . . .
C02G C 0.90944(15) -0.35491(9) 0.85319(8) 0.0323(3) Uani 1 1 d . . . . .
H02I H 0.843127 -0.365058 0.890117 0.039 Uiso 1 1 calc R U . . .
H02J H 0.881562 -0.374243 0.820631 0.039 Uiso 1 1 calc R U . . .
C02H C 1.03944(15) -0.40234(9) 0.87444(8) 0.0328(3) Uani 1 1 d . . . . .
H02K H 1.068288 -0.381656 0.905978 0.039 Uiso 1 1 calc R U . . .
H02L H 1.104968 -0.393000 0.837170 0.039 Uiso 1 1 calc R U . . .
C02I C 0.70300(16) 1.12976(9) 0.22100(8) 0.0328(3) Uani 1 1 d . . . . .
H02M H 0.628518 1.122036 0.253995 0.039 Uiso 1 1 calc R U . . .
H02N H 0.686737 1.106941 0.188075 0.039 Uiso 1 1 calc R U . . .
C02J C 0.88380(17) 0.93849(9) 0.25723(8) 0.0370(4) Uani 1 1 d . . . . .
H02O H 0.930592 0.955235 0.216518 0.044 Uiso 1 1 calc R U . . .
C02K C 0.71101(16) 1.21974(9) 0.19051(8) 0.0344(3) Uani 1 1 d . . . . .
H02P H 0.727760 1.242124 0.223614 0.041 Uiso 1 1 calc R U . . .
H02Q H 0.786021 1.227041 0.157807 0.041 Uiso 1 1 calc R U . . .
C02M C 0.66443(16) -0.07633(9) 0.75851(8) 0.0351(4) Uani 1 1 d . . . . .
H02R H 0.627351 -0.097266 0.729405 0.042 Uiso 1 1 calc R U . . .
H02S H 0.605640 -0.085676 0.798256 0.042 Uiso 1 1 calc R U . . .
C02N C 0.79585(16) -0.12542(9) 0.77462(8) 0.0324(3) Uani 1 1 d . . . . .
H02T H 0.832882 -0.106348 0.804880 0.039 Uiso 1 1 calc R U . . .
H02U H 0.855905 -0.116511 0.735314 0.039 Uiso 1 1 calc R U . . .
C02P C 0.19733(16) 1.67753(10) 0.02682(9) 0.0395(4) Uani 1 1 d . . . . .
H02V H 0.179053 1.666904 -0.011477 0.059 Uiso 1 1 calc R U . . .
H02W H 0.197736 1.735441 0.017647 0.059 Uiso 1 1 calc R U . . .
H02X H 0.129957 1.658811 0.061294 0.059 Uiso 1 1 calc R U . . .
C02Q C 1.29572(16) -0.67445(10) 0.97577(9) 0.0393(4) Uani 1 1 d . . . . .
H02Y H 1.360908 -0.664489 0.939021 0.059 Uiso 1 1 calc R U . . .
H H 1.289149 -0.732205 0.993022 0.059 Uiso 1 1 calc R U . . .
HA H 1.321771 -0.655823 1.008644 0.059 Uiso 1 1 calc R U . . .
C02R C 0.78689(16) -0.21527(9) 0.80391(8) 0.0344(3) Uani 1 1 d . . . . .
H02Z H 0.756961 -0.235153 0.772174 0.041 Uiso 1 1 calc R U . . .
HB H 0.720863 -0.223607 0.840973 0.041 Uiso 1 1 calc R U . . .
C02S C 0.82672(17) 1.08458(9) 0.25123(9) 0.0374(4) Uani 1 1 d . . . . .
H02 H 0.900098 1.090712 0.217617 0.045 Uiso 1 1 calc R U . . .
HC H 0.845059 1.109721 0.282320 0.045 Uiso 1 1 calc R U . . .
C006 C 0.66361(15) 0.51155(9) 0.52074(7) 0.0276(3) Uani 1 1 d . . . . .
C008 C 0.75072(15) 0.88706(9) 0.37580(8) 0.0311(3) Uani 1 1 d . . . . .
H008 H 0.704909 0.870359 0.416767 0.037 Uiso 1 1 calc R U . . .
C009 C 0.63525(15) 0.43605(9) 0.56493(7) 0.0274(3) Uani 1 1 d . . . . .
C017 C 0.81034(15) 0.74164(9) 0.38138(7) 0.0288(3) Uani 1 1 d . . . . .
C019 C 0.54526(15) 0.06327(9) 0.71775(7) 0.0320(3) Uani 1 1 d . . . . .
H019 H 0.466391 0.040064 0.731302 0.038 Uiso 1 1 calc R U . . .
C020 C 0.46640(15) 1.49646(9) 0.08581(7) 0.0305(3) Uani 1 1 d . . . . .
H1 H 0.491894 1.512511 0.120675 0.037 Uiso 1 1 calc R U . . .
HD H 0.531956 1.511791 0.048996 0.037 Uiso 1 1 calc R U . . .
C021 C 0.33458(15) 1.54225(9) 0.06677(8) 0.0316(3) Uani 1 1 d . . . . .
H2 H 0.268651 1.525181 0.103118 0.038 Uiso 1 1 calc R U . . .
HE H 0.310710 1.527409 0.030958 0.038 Uiso 1 1 calc R U . . .
C022 C 0.77154(15) 0.13309(9) 0.67930(7) 0.0318(3) Uani 1 1 d . . . . .
H022 H 0.850341 0.156524 0.667054 0.038 Uiso 1 1 calc R U . . .
C025 C 0.91141(16) 0.68469(9) 0.36727(7) 0.0330(3) Uani 1 1 d . . . . .
H025 H 0.980736 0.703182 0.336369 0.040 Uiso 1 1 calc R U . . .
C027 C 1.16584(15) -0.53886(9) 0.92528(8) 0.0331(3) Uani 1 1 d . . . . .
H3 H 1.231378 -0.529109 0.888027 0.040 Uiso 1 1 calc R U . . .
HF H 1.193626 -0.517519 0.956686 0.040 Uiso 1 1 calc R U . . .
C029 C 1.03521(15) -0.49254(9) 0.90386(8) 0.0329(3) Uani 1 1 d . . . . .
H4 H 0.969417 -0.502041 0.941011 0.040 Uiso 1 1 calc R U . . .
HG H 1.007318 -0.513492 0.872247 0.040 Uiso 1 1 calc R U . . .
N002 N 0.88192(12) 0.90866(7) 0.49465(6) 0.0276(3) Uani 1 1 d . . . . .
N003 N 0.66550(12) 1.07954(7) 0.49651(6) 0.0306(3) Uani 1 1 d . . . . .
C00A C 0.79418(15) 0.86752(8) 0.54122(7) 0.0272(3) Uani 1 1 d . . . . .
C00B C 0.75070(15) 1.12056(8) 0.44848(7) 0.0286(3) Uani 1 1 d . . . . .
C00D C 0.83422(14) 0.98960(8) 0.47900(7) 0.0269(3) Uani 1 1 d . . . . .
C00E C 0.76510(14) 0.53056(9) 0.64985(7) 0.0290(3) Uani 1 1 d . . . . .
H00E H 0.802585 0.494243 0.627081 0.035 Uiso 1 1 calc R U . . .
C00F C 0.75943(14) 0.61274(9) 0.61936(7) 0.0283(3) Uani 1 1 d . . . . .
H00F H 0.792787 0.631602 0.576027 0.034 Uiso 1 1 calc R U . . .
C00I C 0.93256(15) 1.36216(9) 0.31412(7) 0.0292(3) Uani 1 1 d . . . . .
H00I H 1.017227 1.334475 0.322639 0.035 Uiso 1 1 calc R U . . .
C00J C 0.91744(15) 1.44452(9) 0.28348(7) 0.0301(3) Uani 1 1 d . . . . .
H00J H 0.992012 1.472183 0.271640 0.036 Uiso 1 1 calc R U . . .
C00L C 0.73960(15) 1.20234(9) 0.41533(7) 0.0288(3) Uani 1 1 d . . . . .
H00L H 0.665552 1.237334 0.424027 0.035 Uiso 1 1 calc R U . . .
C00M C 0.96001(15) 1.09753(9) 0.39052(7) 0.0279(3) Uani 1 1 d . . . . .
H00M H 1.034815 1.063042 0.381850 0.034 Uiso 1 1 calc R U . . .
C00N C 0.99777(14) 0.87209(9) 0.46613(7) 0.0299(3) Uani 1 1 d . . . . .
H00H H 1.048157 0.833621 0.499784 0.045 Uiso 1 1 calc R U . . .
H00K H 1.050880 0.913906 0.440203 0.045 Uiso 1 1 calc R U . . .
H00N H 0.972720 0.843968 0.439103 0.045 Uiso 1 1 calc R U . . .
C00O C 0.70361(15) 1.36199(9) 0.31715(7) 0.0309(3) Uani 1 1 d . . . . .
H00O H 0.629279 1.334148 0.327818 0.037 Uiso 1 1 calc R U . . .
C00V C 0.94877(15) 1.17926(9) 0.35838(7) 0.0285(3) Uani 1 1 d . . . . .
H00V H 1.017490 1.200244 0.328097 0.034 Uiso 1 1 calc R U . . .
C00W C 0.68862(15) 1.44434(9) 0.28642(8) 0.0309(3) Uani 1 1 d . . . . .
H00W H 0.604338 1.471747 0.276627 0.037 Uiso 1 1 calc R U . . .
C00X C 0.79510(15) 1.48748(9) 0.26971(7) 0.0286(3) Uani 1 1 d . . . . .
C00Y C 0.68900(15) 0.92276(9) 0.55625(7) 0.0284(3) Uani 1 1 d . . . . .
C01A C 1.29253(16) -0.10593(9) 0.95761(8) 0.0337(3) Uani 1 1 d . . . . .
H01H H 1.242034 -0.115801 0.999749 0.040 Uiso 1 1 calc R U . . .
H01I H 1.251356 -0.129910 0.931865 0.040 Uiso 1 1 calc R U . . .
C01B C 0.72614(15) 0.41114(9) 0.74717(8) 0.0324(3) Uani 1 1 d . . . . .
H01J H 0.715003 0.383385 0.716549 0.039 Uiso 1 1 calc R U . . .
H01K H 0.654269 0.400455 0.781416 0.039 Uiso 1 1 calc R U . . .
C01C C 0.64186(15) 1.70977(8) 0.18904(8) 0.0307(3) Uani 1 1 d . . . . .
H01L H 0.672166 1.731462 0.219602 0.037 Uiso 1 1 calc R U . . .
H01M H 0.702047 1.722402 0.149814 0.037 Uiso 1 1 calc R U . . .
C01F C 0.49897(15) 1.84256(8) 0.14346(7) 0.0307(3) Uani 1 1 d . . . . .
H01N H 0.538884 1.864300 0.171164 0.037 Uiso 1 1 calc R U . . .
H01P H 0.550467 1.855035 0.101534 0.037 Uiso 1 1 calc R U . . .
C01G C 0.71669(15) 0.50033(9) 0.71338(7) 0.0295(3) Uani 1 1 d . . . . .
C01H C 0.59018(15) 0.89244(9) 0.60318(7) 0.0315(3) Uani 1 1 d . . . . .
H01Q H 0.519431 0.927926 0.614195 0.038 Uiso 1 1 calc R U . . .
C01I C 1.14783(15) 0.02723(9) 0.91746(8) 0.0328(3) Uani 1 1 d . . . . .
H01R H 1.100444 0.018179 0.960279 0.039 Uiso 1 1 calc R U . . .
H01S H 1.103221 0.002882 0.893237 0.039 Uiso 1 1 calc R U . . .
C01K C 0.99597(15) 0.24903(9) 0.83548(7) 0.0300(3) Uani 1 1 d . . . . .
H01T H 1.014338 0.276256 0.865173 0.036 Uiso 1 1 calc R U . . .
H01U H 1.064215 0.258593 0.799390 0.036 Uiso 1 1 calc R U . . .
C01M C 1.14023(15) 0.11779(9) 0.88356(8) 0.0313(3) Uani 1 1 d . . . . .
H01W H 1.176054 0.142995 0.910219 0.038 Uiso 1 1 calc R U . . .
H01X H 1.195672 0.127013 0.842785 0.038 Uiso 1 1 calc R U . . .
C01N C 0.21461(15) 2.01639(9) 0.09334(8) 0.0318(3) Uani 1 1 d . . . . .
H01Z H 0.165228 2.007633 0.135689 0.038 Uiso 1 1 calc R U . . .
HH H 0.172493 1.991169 0.068830 0.038 Uiso 1 1 calc R U . . .
C01Q C 0.20619(16) 2.10714(9) 0.05870(8) 0.0327(3) Uani 1 1 d . . . . .
H01 H 0.246213 2.132657 0.083744 0.039 Uiso 1 1 calc R U . . .
HI H 0.257226 2.116043 0.016747 0.039 Uiso 1 1 calc R U . . .
C01R C 0.86476(15) 0.28599(9) 0.81041(8) 0.0302(3) Uani 1 1 d . . . . .
H5 H 0.796641 0.275909 0.846537 0.036 Uiso 1 1 calc R U . . .
HJ H 0.846784 0.258765 0.780633 0.036 Uiso 1 1 calc R U . . .
C01S C 0.65752(16) 0.63798(9) 0.71456(7) 0.0317(3) Uani 1 1 d . . . . .
H6 H 0.620302 0.674199 0.737463 0.038 Uiso 1 1 calc R U . . .
C01T C 0.85513(15) 0.37637(9) 0.77609(7) 0.0303(3) Uani 1 1 d . . . . .
H7 H 0.866305 0.404174 0.806677 0.036 Uiso 1 1 calc R U . . .
HK H 0.926990 0.387018 0.741837 0.036 Uiso 1 1 calc R U . . .
C01U C 1.00337(15) 0.15883(9) 0.86993(8) 0.0309(3) Uani 1 1 d . . . . .
H8 H 0.948150 0.150121 0.910746 0.037 Uiso 1 1 calc R U . . .
HL H 0.967177 0.133236 0.843663 0.037 Uiso 1 1 calc R U . . .
C01X C 0.78117(15) 1.57807(9) 0.23903(8) 0.0324(3) Uani 1 1 d . . . . .
H9 H 0.845668 1.590544 0.201455 0.039 Uiso 1 1 calc R U . . .
HM H 0.804212 1.602341 0.269704 0.039 Uiso 1 1 calc R U . . .
C02F C 0.66312(16) 0.55570(9) 0.74483(8) 0.0333(3) Uani 1 1 d . . . . .
H10 H 0.629495 0.536786 0.788117 0.040 Uiso 1 1 calc R U . . .
C02L C 0.06777(16) 2.14769(9) 0.04859(9) 0.0381(4) Uani 1 1 d . . . . .
H11 H 0.028205 2.123843 0.022765 0.057 Uiso 1 1 calc R U . . .
HN H 0.068750 2.205311 0.026525 0.057 Uiso 1 1 calc R U . . .
HO H 0.016950 2.140097 0.089963 0.057 Uiso 1 1 calc R U . . .
C02O C 1.43063(17) -0.14738(10) 0.96676(9) 0.0393(4) Uani 1 1 d . . . . .
H12 H 1.480773 -0.138857 0.925157 0.059 Uiso 1 1 calc R U . . .
HP H 1.429012 -0.205149 0.987888 0.059 Uiso 1 1 calc R U . . .
HQ H 1.471338 -0.124910 0.993142 0.059 Uiso 1 1 calc R U . . .
C005 C 0.79976(15) 0.78516(8) 0.57159(7) 0.0276(3) Uani 1 1 d . . . . .
H005 H 0.870068 0.749246 0.560796 0.033 Uiso 1 1 calc R U . . .
C007 C 0.86007(14) 1.06617(8) 0.43592(7) 0.0266(3) Uani 1 1 d . . . . .
C010 C 0.71823(15) 0.99939(8) 0.51524(7) 0.0291(3) Uani 1 1 d . . . . .
C011 C 0.83835(15) 1.23244(8) 0.36918(7) 0.0277(3) Uani 1 1 d . . . . .
C012 C 0.64839(15) 1.61860(8) 0.21776(7) 0.0297(3) Uani 1 1 d . . . . .
H13 H 0.582737 1.605911 0.254823 0.036 Uiso 1 1 calc R U . . .
HR H 0.625702 1.596327 0.185756 0.036 Uiso 1 1 calc R U . . .
C013 C 0.70078(15) 0.75579(8) 0.61816(7) 0.0276(3) Uani 1 1 d . . . . .
C014 C 0.35256(15) 1.97499(9) 0.10227(8) 0.0321(3) Uani 1 1 d . . . . .
H14 H 0.393614 1.998782 0.128194 0.039 Uiso 1 1 calc R U . . .
HS H 0.402886 1.985430 0.060070 0.039 Uiso 1 1 calc R U . . .
C015 C 0.82515(15) 1.31926(8) 0.33268(7) 0.0274(3) Uani 1 1 d . . . . .
C016 C 0.59688(15) 0.81044(9) 0.63319(7) 0.0314(3) Uani 1 1 d . . . . .
H016 H 0.529718 0.790220 0.664833 0.038 Uiso 1 1 calc R U . . .
C018 C 0.70571(14) 0.66826(8) 0.65105(7) 0.0269(3) Uani 1 1 d . . . . .
C023 C 1.28581(15) -0.01524(9) 0.92472(8) 0.0326(3) Uani 1 1 d . . . . .
H15 H 1.329993 0.008352 0.949646 0.039 Uiso 1 1 calc R U . . .
HT H 1.333738 -0.005487 0.881978 0.039 Uiso 1 1 calc R U . . .
C024 C 0.50650(15) 1.75150(9) 0.17286(8) 0.0306(3) Uani 1 1 d . . . . .
H16 H 0.446631 1.739211 0.212212 0.037 Uiso 1 1 calc R U . . .
HU H 0.475910 1.729239 0.142731 0.037 Uiso 1 1 calc R U . . .
C026 C 0.55481(16) 1.11590(9) 0.52815(8) 0.0363(4) Uani 1 1 d . . . . .
H17 H 0.585172 1.144069 0.553721 0.054 Uiso 1 1 calc R U . . .
HV H 0.503803 1.074008 0.555979 0.054 Uiso 1 1 calc R U . . .
HW H 0.500323 1.154302 0.496239 0.054 Uiso 1 1 calc R U . . .
C028 C 0.36081(15) 1.88433(9) 0.13454(8) 0.0311(3) Uani 1 1 d . . . . .
H18 H 0.310568 1.873934 0.176760 0.037 Uiso 1 1 calc R U . . .
HX H 0.319532 1.860596 0.108655 0.037 Uiso 1 1 calc R U . . .


_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
N001 C00H 1.3835(19) . ?
N001 C00K 1.4474(19) . ?
N001 C006 1.3843(18) . ?
N004 C00P 1.3863(18) . ?
N004 C00S 1.3808(19) . ?
N004 C01P 1.450(2) . ?
C00C H00C 0.9500 . ?
C00C C00H 1.396(2) . ?
C00C C017 1.398(2) . ?
C00G H00G 0.9500 . ?
C00G C00Q 1.386(2) . ?
C00G C009 1.402(2) . ?
C00H C01E 1.427(2) . ?
C00K H00A 0.9800 . ?
C00K H00B 0.9800 . ?
C00K H00D 0.9800 . ?
C00P C01E 1.421(2) . ?
C00P C006 1.377(2) . ?
C00Q H00Q 0.9500 . ?
C00Q C00Z 1.414(2) . ?
C00R H00R 0.9500 . ?
C00R C01D 1.398(2) . ?
C00R C019 1.385(2) . ?
C00S C00U 1.390(2) . ?
C00S C009 1.430(2) . ?
C00T H00T 0.9500 . ?
C00T C02A 1.399(2) . ?
C00T C008 1.388(2) . ?
C00U H00U 0.9500 . ?
C00U C00Z 1.397(2) . ?
C00Z C01D 1.490(2) . ?
C01D C022 1.396(2) . ?
C01E C01V 1.403(2) . ?
C01J H01A 0.9900 . ?
C01J H01B 0.9900 . ?
C01J C02D 1.517(2) . ?
C01J C020 1.528(2) . ?
C01L C01Y 1.398(2) . ?
C01L C008 1.397(2) . ?
C01L C017 1.487(2) . ?
C01O H01O 0.9500 . ?
C01O C01Z 1.396(2) . ?
C01O C022 1.389(2) . ?
C01P H01C 0.9800 . ?
C01P H01D 0.9800 . ?
C01P H01E 0.9800 . ?
C01V H01V 0.9500 . ?
C01V C025 1.382(2) . ?
C01W H01F 0.9900 . ?
C01W H01G 0.9900 . ?
C01W C02P 1.518(2) . ?
C01W C021 1.522(2) . ?
C01Y H01Y 0.9500 . ?
C01Y C02J 1.388(2) . ?
C01Z C02M 1.514(2) . ?
C01Z C019 1.393(2) . ?
C02A C02J 1.387(2) . ?
C02A C02S 1.510(2) . ?
C02B H02A 0.9900 . ?
C02B H02B 0.9900 . ?
C02B C02Q 1.521(2) . ?
C02B C027 1.522(2) . ?
C02C H02C 0.9900 . ?
C02C H02D 0.9900 . ?
C02C C02G 1.527(2) . ?
C02C C02R 1.525(2) . ?
C02D H02E 0.9900 . ?
C02D H02F 0.9900 . ?
C02D C02E 1.527(2) . ?
C02E H02G 0.9900 . ?
C02E H02H 0.9900 . ?
C02E C02K 1.516(2) . ?
C02G H02I 0.9900 . ?
C02G H02J 0.9900 . ?
C02G C02H 1.522(2) . ?
C02H H02K 0.9900 . ?
C02H H02L 0.9900 . ?
C02H C029 1.524(2) . ?
C02I H02M 0.9900 . ?
C02I H02N 0.9900 . ?
C02I C02K 1.528(2) . ?
C02I C02S 1.520(2) . ?
C02J H02O 0.9500 . ?
C02K H02P 0.9900 . ?
C02K H02Q 0.9900 . ?
C02M H02R 0.9900 . ?
C02M H02S 0.9900 . ?
C02M C02N 1.520(2) . ?
C02N H02T 0.9900 . ?
C02N H02U 0.9900 . ?
C02N C02R 1.526(2) . ?
C02P H02V 0.9800 . ?
C02P H02W 0.9800 . ?
C02P H02X 0.9800 . ?
C02Q H02Y 0.9800 . ?
C02Q H 0.9800 . ?
C02Q HA 0.9800 . ?
C02R H02Z 0.9900 . ?
C02R HB 0.9900 . ?
C02S H02 0.9900 . ?
C02S HC 0.9900 . ?
C006 C009 1.429(2) . ?
C008 H008 0.9500 . ?
C017 C025 1.415(2) . ?
C019 H019 0.9500 . ?
C020 H1 0.9900 . ?
C020 HD 0.9900 . ?
C020 C021 1.518(2) . ?
C021 H2 0.9900 . ?
C021 HE 0.9900 . ?
C022 H022 0.9500 . ?
C025 H025 0.9500 . ?
C027 H3 0.9900 . ?
C027 HF 0.9900 . ?
C027 C029 1.523(2) . ?
C029 H4 0.9900 . ?
C029 HG 0.9900 . ?
N002 C00A 1.3850(18) . ?
N002 C00D 1.3845(18) . ?
N002 C00N 1.4474(19) . ?
N003 C00B 1.3836(19) . ?
N003 C010 1.3847(18) . ?
N003 C026 1.443(2) . ?
C00A C00Y 1.429(2) . ?
C00A C005 1.390(2) . ?
C00B C00L 1.390(2) . ?
C00B C007 1.430(2) . ?
C00D C007 1.428(2) . ?
C00D C010 1.382(2) . ?
C00E H00E 0.9500 . ?
C00E C00F 1.388(2) . ?
C00E C01G 1.396(2) . ?
C00F H00F 0.9500 . ?
C00F C018 1.396(2) . ?
C00I H00I 0.9500 . ?
C00I C00J 1.388(2) . ?
C00I C015 1.399(2) . ?
C00J H00J 0.9500 . ?
C00J C00X 1.394(2) . ?
C00L H00L 0.9500 . ?
C00L C011 1.394(2) . ?
C00M H00M 0.9500 . ?
C00M C00V 1.385(2) . ?
C00M C007 1.401(2) . ?
C00N H00H 0.9800 . ?
C00N H00K 0.9800 . ?
C00N H00N 0.9800 . ?
C00O H00O 0.9500 . ?
C00O C00W 1.389(2) . ?
C00O C015 1.393(2) . ?
C00V H00V 0.9500 . ?
C00V C011 1.413(2) . ?
C00W H00W 0.9500 . ?
C00W C00X 1.394(2) . ?
C00X C01X 1.518(2) . ?
C00Y C01H 1.405(2) . ?
C00Y C010 1.423(2) . ?
C01A H01H 0.9900 . ?
C01A H01I 0.9900 . ?
C01A C02O 1.516(2) . ?
C01A C023 1.529(2) . ?
C01B H01J 0.9900 . ?
C01B H01K 0.9900 . ?
C01B C01G 1.507(2) . ?
C01B C01T 1.522(2) . ?
C01C H01L 0.9900 . ?
C01C H01M 0.9900 . ?
C01C C012 1.526(2) . ?
C01C C024 1.517(2) . ?
C01F H01N 0.9900 . ?
C01F H01P 0.9900 . ?
C01F C024 1.525(2) . ?
C01F C028 1.518(2) . ?
C01G C02F 1.390(2) . ?
C01H H01Q 0.9500 . ?
C01H C016 1.383(2) . ?
C01I H01R 0.9900 . ?
C01I H01S 0.9900 . ?
C01I C01M 1.530(2) . ?
C01I C023 1.517(2) . ?
C01K H01T 0.9900 . ?
C01K H01U 0.9900 . ?
C01K C01R 1.515(2) . ?
C01K C01U 1.526(2) . ?
C01M H01W 0.9900 . ?
C01M H01X 0.9900 . ?
C01M C01U 1.517(2) . ?
C01N H01Z 0.9900 . ?
C01N HH 0.9900 . ?
C01N C01Q 1.535(2) . ?
C01N C014 1.514(2) . ?
C01Q H01 0.9900 . ?
C01Q HI 0.9900 . ?
C01Q C02L 1.518(2) . ?
C01R H5 0.9900 . ?
C01R HJ 0.9900 . ?
C01R C01T 1.527(2) . ?
C01S H6 0.9500 . ?
C01S C02F 1.389(2) . ?
C01S C018 1.395(2) . ?
C01T H7 0.9900 . ?
C01T HK 0.9900 . ?
C01U H8 0.9900 . ?
C01U HL 0.9900 . ?
C01X H9 0.9900 . ?
C01X HM 0.9900 . ?
C01X C012 1.515(2) . ?
C02F H10 0.9500 . ?
C02L H11 0.9800 . ?
C02L HN 0.9800 . ?
C02L HO 0.9800 . ?
C02O H12 0.9800 . ?
C02O HP 0.9800 . ?
C02O HQ 0.9800 . ?
C005 H005 0.9500 . ?
C005 C013 1.397(2) . ?
C011 C015 1.482(2) . ?
C012 H13 0.9900 . ?
C012 HR 0.9900 . ?
C013 C016 1.414(2) . ?
C013 C018 1.480(2) . ?
C014 H14 0.9900 . ?
C014 HS 0.9900 . ?
C014 C028 1.525(2) . ?
C016 H016 0.9500 . ?
C023 H15 0.9900 . ?
C023 HT 0.9900 . ?
C024 H16 0.9900 . ?
C024 HU 0.9900 . ?
C026 H17 0.9800 . ?
C026 HV 0.9800 . ?
C026 HW 0.9800 . ?
C028 H18 0.9900 . ?
C028 HX 0.9900 . ?

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
C00H N001 C00K 125.76(12) . . ?
C00H N001 C006 107.24(12) . . ?
C006 N001 C00K 126.91(13) . . ?
C00P N004 C01P 126.79(13) . . ?
C00S N004 C00P 107.21(12) . . ?
C00S N004 C01P 125.50(13) . . ?
C00H C00C H00C 120.4 . . ?
C00H C00C C017 119.22(14) . . ?
C017 C00C H00C 120.4 . . ?
C00Q C00G H00G 120.3 . . ?
C00Q C00G C009 119.48(14) . . ?
C009 C00G H00G 120.3 . . ?
N001 C00H C00C 128.32(14) . . ?
N001 C00H C01E 109.92(13) . . ?
C00C C00H C01E 121.75(14) . . ?
N001 C00K H00A 109.5 . . ?
N001 C00K H00B 109.5 . . ?
N001 C00K H00D 109.5 . . ?
H00A C00K H00B 109.5 . . ?
H00A C00K H00D 109.5 . . ?
H00B C00K H00D 109.5 . . ?
N004 C00P C01E 141.03(14) . . ?
C006 C00P N004 109.65(13) . . ?
C006 C00P C01E 109.15(13) . . ?
C00G C00Q H00Q 118.9 . . ?
C00G C00Q C00Z 122.18(14) . . ?
C00Z C00Q H00Q 118.9 . . ?
C01D C00R H00R 119.5 . . ?
C019 C00R H00R 119.5 . . ?
C019 C00R C01D 120.99(15) . . ?
N004 C00S C00U 127.99(14) . . ?
N004 C00S C009 110.04(13) . . ?
C00U C00S C009 121.95(14) . . ?
C02A C00T H00T 119.4 . . ?
C008 C00T H00T 119.4 . . ?
C008 C00T C02A 121.28(15) . . ?
C00S C00U H00U 120.4 . . ?
C00S C00U C00Z 119.24(14) . . ?
C00Z C00U H00U 120.4 . . ?
C00Q C00Z C01D 121.09(14) . . ?
C00U C00Z C00Q 118.95(13) . . ?
C00U C00Z C01D 119.95(14) . . ?
C00R C01D C00Z 121.53(14) . . ?
C022 C01D C00R 117.32(14) . . ?
C022 C01D C00Z 121.12(14) . . ?
C00P C01E C00H 104.38(13) . . ?
C01V C01E C00H 118.22(13) . . ?
C01V C01E C00P 137.40(14) . . ?
H01A C01J H01B 107.6 . . ?
C02D C01J H01A 108.7 . . ?
C02D C01J H01B 108.7 . . ?
C02D C01J C020 114.43(13) . . ?
C020 C01J H01A 108.7 . . ?
C020 C01J H01B 108.7 . . ?
C01Y C01L C008 116.74(14) . . ?
C01Y C01L C017 121.65(15) . . ?
C008 C01L C017 121.60(14) . . ?
C01Z C01O H01O 119.3 . . ?
C022 C01O H01O 119.3 . . ?
C022 C01O C01Z 121.39(15) . . ?
N004 C01P H01C 109.5 . . ?
N004 C01P H01D 109.5 . . ?
N004 C01P H01E 109.5 . . ?
H01C C01P H01D 109.5 . . ?
H01C C01P H01E 109.5 . . ?
H01D C01P H01E 109.5 . . ?
C01E C01V H01V 120.1 . . ?
C025 C01V C01E 119.82(15) . . ?
C025 C01V H01V 120.1 . . ?
H01F C01W H01G 107.8 . . ?
C02P C01W H01F 109.0 . . ?
C02P C01W H01G 109.0 . . ?
C02P C01W C021 113.07(14) . . ?
C021 C01W H01F 109.0 . . ?
C021 C01W H01G 109.0 . . ?
C01L C01Y H01Y 119.1 . . ?
C02J C01Y C01L 121.70(16) . . ?
C02J C01Y H01Y 119.1 . . ?
C01O C01Z C02M 123.17(14) . . ?
C019 C01Z C01O 116.98(14) . . ?
C019 C01Z C02M 119.85(14) . . ?
C00T C02A C02S 121.49(15) . . ?
C02J C02A C00T 117.32(14) . . ?
C02J C02A C02S 121.19(15) . . ?
H02A C02B H02B 107.7 . . ?
C02Q C02B H02A 108.9 . . ?
C02Q C02B H02B 108.9 . . ?
C02Q C02B C027 113.39(14) . . ?
C027 C02B H02A 108.9 . . ?
C027 C02B H02B 108.9 . . ?
H02C C02C H02D 107.7 . . ?
C02G C02C H02C 108.8 . . ?
C02G C02C H02D 108.8 . . ?
C02G C02C C02R 113.95(13) . . ?
C02R C02C H02C 108.8 . . ?
C02R C02C H02D 108.8 . . ?
C01J C02D H02E 108.9 . . ?
C01J C02D H02F 108.9 . . ?
C01J C02D C02E 113.42(13) . . ?
H02E C02D H02F 107.7 . . ?
C02E C02D H02E 108.9 . . ?
C02E C02D H02F 108.9 . . ?
C02D C02E H02G 108.8 . . ?
C02D C02E H02H 108.8 . . ?
H02G C02E H02H 107.7 . . ?
C02K C02E C02D 113.82(13) . . ?
C02K C02E H02G 108.8 . . ?
C02K C02E H02H 108.8 . . ?
C02C C02G H02I 109.1 . . ?
C02C C02G H02J 109.1 . . ?
H02I C02G H02J 107.8 . . ?
C02H C02G C02C 112.64(13) . . ?
C02H C02G H02I 109.1 . . ?
C02H C02G H02J 109.1 . . ?
C02G C02H H02K 108.8 . . ?
C02G C02H H02L 108.8 . . ?
C02G C02H C029 113.83(13) . . ?
H02K C02H H02L 107.7 . . ?
C029 C02H H02K 108.8 . . ?
C029 C02H H02L 108.8 . . ?
H02M C02I H02N 107.9 . . ?
C02K C02I H02M 109.1 . . ?
C02K C02I H02N 109.1 . . ?
C02S C02I H02M 109.1 . . ?
C02S C02I H02N 109.1 . . ?
C02S C02I C02K 112.38(13) . . ?
C01Y C02J H02O 119.3 . . ?
C02A C02J C01Y 121.42(16) . . ?
C02A C02J H02O 119.3 . . ?
C02E C02K C02I 114.15(14) . . ?
C02E C02K H02P 108.7 . . ?
C02E C02K H02Q 108.7 . . ?
C02I C02K H02P 108.7 . . ?
C02I C02K H02Q 108.7 . . ?
H02P C02K H02Q 107.6 . . ?
C01Z C02M H02R 108.1 . . ?
C01Z C02M H02S 108.1 . . ?
C01Z C02M C02N 116.71(14) . . ?
H02R C02M H02S 107.3 . . ?
C02N C02M H02R 108.1 . . ?
C02N C02M H02S 108.1 . . ?
C02M C02N H02T 109.1 . . ?
C02M C02N H02U 109.1 . . ?
C02M C02N C02R 112.65(13) . . ?
H02T C02N H02U 107.8 . . ?
C02R C02N H02T 109.1 . . ?
C02R C02N H02U 109.1 . . ?
C01W C02P H02V 109.5 . . ?
C01W C02P H02W 109.5 . . ?
C01W C02P H02X 109.5 . . ?
H02V C02P H02W 109.5 . . ?
H02V C02P H02X 109.5 . . ?
H02W C02P H02X 109.5 . . ?
C02B C02Q H02Y 109.5 . . ?
C02B C02Q H 109.5 . . ?
C02B C02Q HA 109.5 . . ?
H02Y C02Q H 109.5 . . ?
H02Y C02Q HA 109.5 . . ?
H C02Q HA 109.5 . . ?
C02C C02R H02Z 108.9 . . ?
C02C C02R HB 108.9 . . ?
C02N C02R C02C 113.29(13) . . ?
C02N C02R H02Z 108.9 . . ?
C02N C02R HB 108.9 . . ?
H02Z C02R HB 107.7 . . ?
C02A C02S C02I 114.46(14) . . ?
C02A C02S H02 108.6 . . ?
C02A C02S HC 108.6 . . ?
C02I C02S H02 108.6 . . ?
C02I C02S HC 108.6 . . ?
H02 C02S HC 107.6 . . ?
N001 C006 C009 141.80(14) . . ?
C00P C006 N001 109.30(13) . . ?
C00P C006 C009 108.74(13) . . ?
C00T C008 C01L 121.53(15) . . ?
C00T C008 H008 119.2 . . ?
C01L C008 H008 119.2 . . ?
C00G C009 C00S 118.20(13) . . ?
C00G C009 C006 137.41(14) . . ?
C00S C009 C006 104.36(13) . . ?
C00C C017 C01L 120.76(14) . . ?
C00C C017 C025 119.01(14) . . ?
C025 C017 C01L 120.23(14) . . ?
C00R C019 C01Z 121.93(15) . . ?
C00R C019 H019 119.0 . . ?
C01Z C019 H019 119.0 . . ?
C01J C020 H1 108.9 . . ?
C01J C020 HD 108.9 . . ?
H1 C020 HD 107.7 . . ?
C021 C020 C01J 113.30(13) . . ?
C021 C020 H1 108.9 . . ?
C021 C020 HD 108.9 . . ?
C01W C021 H2 108.7 . . ?
C01W C021 HE 108.7 . . ?
C020 C021 C01W 114.23(13) . . ?
C020 C021 H2 108.7 . . ?
C020 C021 HE 108.7 . . ?
H2 C021 HE 107.6 . . ?
C01D C022 H022 119.3 . . ?
C01O C022 C01D 121.36(15) . . ?
C01O C022 H022 119.3 . . ?
C01V C025 C017 121.97(15) . . ?
C01V C025 H025 119.0 . . ?
C017 C025 H025 119.0 . . ?
C02B C027 H3 108.7 . . ?
C02B C027 HF 108.7 . . ?
C02B C027 C029 114.16(13) . . ?
H3 C027 HF 107.6 . . ?
C029 C027 H3 108.7 . . ?
C029 C027 HF 108.7 . . ?
C02H C029 H4 109.0 . . ?
C02H C029 HG 109.0 . . ?
C027 C029 C02H 113.07(13) . . ?
C027 C029 H4 109.0 . . ?
C027 C029 HG 109.0 . . ?
H4 C029 HG 107.8 . . ?
C00A N002 C00D 107.15(12) . . ?
C00A N002 C00N 125.49(12) . . ?
C00D N002 C00N 127.28(12) . . ?
C00B N003 C010 107.16(12) . . ?
C00B N003 C026 125.71(13) . . ?
C010 N003 C026 126.34(13) . . ?
N002 C00A C00Y 110.15(12) . . ?
N002 C00A C005 128.38(14) . . ?
C005 C00A C00Y 121.47(14) . . ?
N003 C00B C00L 128.08(14) . . ?
N003 C00B C007 110.20(12) . . ?
C00L C00B C007 121.72(14) . . ?
N002 C00D C007 141.64(14) . . ?
C010 C00D N002 109.36(13) . . ?
C010 C00D C007 108.89(13) . . ?
C00F C00E H00E 119.4 . . ?
C00F C00E C01G 121.16(15) . . ?
C01G C00E H00E 119.4 . . ?
C00E C00F H00F 119.3 . . ?
C00E C00F C018 121.35(14) . . ?
C018 C00F H00F 119.3 . . ?
C00J C00I H00I 119.5 . . ?
C00J C00I C015 121.09(15) . . ?
C015 C00I H00I 119.5 . . ?
C00I C00J H00J 119.3 . . ?
C00I C00J C00X 121.38(14) . . ?
C00X C00J H00J 119.3 . . ?
C00B C00L H00L 120.4 . . ?
C00B C00L C011 119.25(14) . . ?
C011 C00L H00L 120.4 . . ?
C00V C00M H00M 120.3 . . ?
C00V C00M C007 119.39(14) . . ?
C007 C00M H00M 120.3 . . ?
N002 C00N H00H 109.5 . . ?
N002 C00N H00K 109.5 . . ?
N002 C00N H00N 109.5 . . ?
H00H C00N H00K 109.5 . . ?
H00H C00N H00N 109.5 . . ?
H00K C00N H00N 109.5 . . ?
C00W C00O H00O 119.2 . . ?
C00W C00O C015 121.51(14) . . ?
C015 C00O H00O 119.2 . . ?
C00M C00V H00V 119.0 . . ?
C00M C00V C011 122.10(14) . . ?
C011 C00V H00V 119.0 . . ?
C00O C00W H00W 119.4 . . ?
C00O C00W C00X 121.13(15) . . ?
C00X C00W H00W 119.4 . . ?
C00J C00X C00W 117.51(13) . . ?
C00J C00X C01X 120.04(14) . . ?
C00W C00X C01X 122.43(14) . . ?
C01H C00Y C00A 118.69(13) . . ?
C01H C00Y C010 137.09(14) . . ?
C010 C00Y C00A 104.22(13) . . ?
H01H C01A H01I 107.8 . . ?
C02O C01A H01H 109.0 . . ?
C02O C01A H01I 109.0 . . ?
C02O C01A C023 113.04(14) . . ?
C023 C01A H01H 109.0 . . ?
C023 C01A H01I 109.0 . . ?
H01J C01B H01K 107.8 . . ?
C01G C01B H01J 109.0 . . ?
C01G C01B H01K 109.0 . . ?
C01G C01B C01T 113.04(13) . . ?
C01T C01B H01J 109.0 . . ?
C01T C01B H01K 109.0 . . ?
H01L C01C H01M 107.7 . . ?
C012 C01C H01L 108.9 . . ?
C012 C01C H01M 108.9 . . ?
C024 C01C H01L 108.9 . . ?
C024 C01C H01M 108.9 . . ?
C024 C01C C012 113.50(13) . . ?
H01N C01F H01P 107.7 . . ?
C024 C01F H01N 108.9 . . ?
C024 C01F H01P 108.9 . . ?
C028 C01F H01N 108.9 . . ?
C028 C01F H01P 108.9 . . ?
C028 C01F C024 113.32(13) . . ?
C00E C01G C01B 121.28(15) . . ?
C02F C01G C00E 117.40(14) . . ?
C02F C01G C01B 121.29(14) . . ?
C00Y C01H H01Q 120.3 . . ?
C016 C01H C00Y 119.34(15) . . ?
C016 C01H H01Q 120.3 . . ?
H01R C01I H01S 107.7 . . ?
C01M C01I H01R 108.8 . . ?
C01M C01I H01S 108.8 . . ?
C023 C01I H01R 108.8 . . ?
C023 C01I H01S 108.8 . . ?
C023 C01I C01M 113.81(13) . . ?
H01T C01K H01U 107.8 . . ?
C01R C01K H01T 108.9 . . ?
C01R C01K H01U 108.9 . . ?
C01R C01K C01U 113.15(13) . . ?
C01U C01K H01T 108.9 . . ?
C01U C01K H01U 108.9 . . ?
C01I C01M H01W 108.8 . . ?
C01I C01M H01X 108.8 . . ?
H01W C01M H01X 107.7 . . ?
C01U C01M C01I 113.85(13) . . ?
C01U C01M H01W 108.8 . . ?
C01U C01M H01X 108.8 . . ?
H01Z C01N HH 107.7 . . ?
C01Q C01N H01Z 108.8 . . ?
C01Q C01N HH 108.8 . . ?
C014 C01N H01Z 108.8 . . ?
C014 C01N HH 108.8 . . ?
C014 C01N C01Q 113.74(13) . . ?
C01N C01Q H01 108.9 . . ?
C01N C01Q HI 108.9 . . ?
H01 C01Q HI 107.7 . . ?
C02L C01Q C01N 113.32(13) . . ?
C02L C01Q H01 108.9 . . ?
C02L C01Q HI 108.9 . . ?
C01K C01R H5 108.8 . . ?
C01K C01R HJ 108.8 . . ?
C01K C01R C01T 113.96(13) . . ?
H5 C01R HJ 107.7 . . ?
C01T C01R H5 108.8 . . ?
C01T C01R HJ 108.8 . . ?
C02F C01S H6 119.5 . . ?
C02F C01S C018 121.01(15) . . ?
C018 C01S H6 119.5 . . ?
C01B C01T C01R 113.08(13) . . ?
C01B C01T H7 109.0 . . ?
C01B C01T HK 109.0 . . ?
C01R C01T H7 109.0 . . ?
C01R C01T HK 109.0 . . ?
H7 C01T HK 107.8 . . ?
C01K C01U H8 108.8 . . ?
C01K C01U HL 108.8 . . ?
C01M C01U C01K 113.84(13) . . ?
C01M C01U H8 108.8 . . ?
C01M C01U HL 108.8 . . ?
H8 C01U HL 107.7 . . ?
C00X C01X H9 108.2 . . ?
C00X C01X HM 108.2 . . ?
C00X C01X C012 116.57(13) . . ?
H9 C01X HM 107.3 . . ?
C012 C01X H9 108.2 . . ?
C012 C01X HM 108.2 . . ?
C01G C02F H10 119.2 . . ?
C01S C02F C01G 121.65(15) . . ?
C01S C02F H10 119.2 . . ?
C01Q C02L H11 109.5 . . ?
C01Q C02L HN 109.5 . . ?
C01Q C02L HO 109.5 . . ?
H11 C02L HN 109.5 . . ?
H11 C02L HO 109.5 . . ?
HN C02L HO 109.5 . . ?
C01A C02O H12 109.5 . . ?
C01A C02O HP 109.5 . . ?
C01A C02O HQ 109.5 . . ?
H12 C02O HP 109.5 . . ?
H12 C02O HQ 109.5 . . ?
HP C02O HQ 109.5 . . ?
C00A C005 H005 120.4 . . ?
C00A C005 C013 119.25(14) . . ?
C013 C005 H005 120.4 . . ?
C00D C007 C00B 104.21(13) . . ?
C00M C007 C00B 118.38(13) . . ?
C00M C007 C00D 137.36(14) . . ?
N003 C010 C00Y 141.17(14) . . ?
C00D C010 N003 109.52(13) . . ?
C00D C010 C00Y 109.12(13) . . ?
C00L C011 C00V 119.09(13) . . ?
C00L C011 C015 119.33(14) . . ?
C00V C011 C015 121.59(14) . . ?
C01C C012 H13 108.9 . . ?
C01C C012 HR 108.9 . . ?
C01X C012 C01C 113.18(13) . . ?
C01X C012 H13 108.9 . . ?
C01X C012 HR 108.9 . . ?
H13 C012 HR 107.8 . . ?
C005 C013 C016 119.30(13) . . ?
C005 C013 C018 119.83(14) . . ?
C016 C013 C018 120.87(13) . . ?
C01N C014 H14 108.8 . . ?
C01N C014 HS 108.8 . . ?
C01N C014 C028 113.59(13) . . ?
H14 C014 HS 107.7 . . ?
C028 C014 H14 108.8 . . ?
C028 C014 HS 108.8 . . ?
C00I C015 C011 121.82(14) . . ?
C00O C015 C00I 117.32(13) . . ?
C00O C015 C011 120.84(14) . . ?
C01H C016 C013 121.94(14) . . ?
C01H C016 H016 119.0 . . ?
C013 C016 H016 119.0 . . ?
C00F C018 C013 120.90(13) . . ?
C01S C018 C00F 117.44(13) . . ?
C01S C018 C013 121.66(14) . . ?
C01A C023 H15 108.9 . . ?
C01A C023 HT 108.9 . . ?
C01I C023 C01A 113.45(13) . . ?
C01I C023 H15 108.9 . . ?
C01I C023 HT 108.9 . . ?
H15 C023 HT 107.7 . . ?
C01C C024 C01F 114.01(13) . . ?
C01C C024 H16 108.8 . . ?
C01C C024 HU 108.8 . . ?
C01F C024 H16 108.8 . . ?
C01F C024 HU 108.8 . . ?
H16 C024 HU 107.6 . . ?
N003 C026 H17 109.5 . . ?
N003 C026 HV 109.5 . . ?
N003 C026 HW 109.5 . . ?
H17 C026 HV 109.5 . . ?
H17 C026 HW 109.5 . . ?
HV C026 HW 109.5 . . ?
C01F C028 C014 113.76(13) . . ?
C01F C028 H18 108.8 . . ?
C01F C028 HX 108.8 . . ?
C014 C028 H18 108.8 . . ?
C014 C028 HX 108.8 . . ?
H18 C028 HX 107.7 . . ?

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
N001 C00H C01E C00P -0.98(17) . . . . ?
N001 C00H C01E C01V 179.99(14) . . . . ?
N001 C006 C009 C00G 7.8(4) . . . . ?
N001 C006 C009 C00S -174.4(2) . . . . ?
N004 C00P C01E C00H -173.7(2) . . . . ?
N004 C00P C01E C01V 5.0(4) . . . . ?
N004 C00P C006 N001 176.11(13) . . . . ?
N004 C00P C006 C009 -0.40(18) . . . . ?
N004 C00S C00U C00Z -178.32(15) . . . . ?
N004 C00S C009 C00G 178.25(13) . . . . ?
N004 C00S C009 C006 -0.03(17) . . . . ?
C00C C00H C01E C00P 178.84(14) . . . . ?
C00C C00H C01E C01V -0.2(2) . . . . ?
C00C C017 C025 C01V 0.0(2) . . . . ?
C00G C00Q C00Z C00U -0.7(2) . . . . ?
C00G C00Q C00Z C01D -179.21(14) . . . . ?
C00H N001 C006 C00P -0.46(17) . . . . ?
C00H N001 C006 C009 174.2(2) . . . . ?
C00H C00C C017 C01L -179.38(14) . . . . ?
C00H C00C C017 C025 0.7(2) . . . . ?
C00H C01E C01V C025 0.9(2) . . . . ?
C00K N001 C00H C00C -2.1(3) . . . . ?
C00K N001 C00H C01E 177.74(14) . . . . ?
C00K N001 C006 C00P -177.25(14) . . . . ?
C00K N001 C006 C009 -2.6(3) . . . . ?
C00P N004 C00S C00U 178.53(16) . . . . ?
C00P N004 C00S C009 -0.21(18) . . . . ?
C00P C01E C01V C025 -177.74(18) . . . . ?
C00P C006 C009 C00G -177.50(18) . . . . ?
C00P C006 C009 C00S 0.26(17) . . . . ?
C00Q C00G C009 C00S 0.2(2) . . . . ?
C00Q C00G C009 C006 177.77(17) . . . . ?
C00Q C00Z C01D C00R 31.3(2) . . . . ?
C00Q C00Z C01D C022 -150.67(15) . . . . ?
C00R C01D C022 C01O 2.1(2) . . . . ?
C00S N004 C00P C01E 174.8(2) . . . . ?
C00S N004 C00P C006 0.37(18) . . . . ?
C00S C00U C00Z C00Q 0.3(2) . . . . ?
C00S C00U C00Z C01D 178.89(14) . . . . ?
C00T C02A C02J C01Y 0.2(3) . . . . ?
C00T C02A C02S C02I -76.8(2) . . . . ?
C00U C00S C009 C00G -0.6(2) . . . . ?
C00U C00S C009 C006 -178.85(14) . . . . ?
C00U C00Z C01D C00R -147.19(16) . . . . ?
C00U C00Z C01D C022 30.8(2) . . . . ?
C00Z C01D C022 C01O -175.96(15) . . . . ?
C01D C00R C019 C01Z 0.1(2) . . . . ?
C01E C00P C006 N001 -0.16(18) . . . . ?
C01E C00P C006 C009 -176.66(13) . . . . ?
C01E C01V C025 C017 -0.8(3) . . . . ?
C01J C02D C02E C02K -177.61(14) . . . . ?
C01J C020 C021 C01W 177.97(14) . . . . ?
C01L C01Y C02J C02A -0.7(3) . . . . ?
C01L C017 C025 C01V -179.94(15) . . . . ?
C01O C01Z C02M C02N 7.1(2) . . . . ?
C01O C01Z C019 C00R 1.3(2) . . . . ?
C01P N004 C00P C01E -13.1(3) . . . . ?
C01P N004 C00P C006 172.52(16) . . . . ?
C01P N004 C00S C00U 6.2(3) . . . . ?
C01P N004 C00S C009 -172.48(15) . . . . ?
C01Y C01L C008 C00T 0.2(2) . . . . ?
C01Y C01L C017 C00C -154.59(16) . . . . ?
C01Y C01L C017 C025 25.3(2) . . . . ?
C01Z C01O C022 C01D -0.8(3) . . . . ?
C01Z C02M C02N C02R -178.96(14) . . . . ?
C02A C00T C008 C01L -0.7(2) . . . . ?
C02B C027 C029 C02H 179.90(14) . . . . ?
C02C C02G C02H C029 178.48(14) . . . . ?
C02D C01J C020 C021 -171.59(13) . . . . ?
C02D C02E C02K C02I 173.47(14) . . . . ?
C02G C02C C02R C02N -178.29(14) . . . . ?
C02G C02H C029 C027 -179.55(14) . . . . ?
C02J C02A C02S C02I 103.49(19) . . . . ?
C02K C02I C02S C02A 177.24(15) . . . . ?
C02M C01Z C019 C00R -177.98(15) . . . . ?
C02M C02N C02R C02C -175.08(14) . . . . ?
C02P C01W C021 C020 178.76(14) . . . . ?
C02Q C02B C027 C029 179.70(14) . . . . ?
C02R C02C C02G C02H -179.89(14) . . . . ?
C02S C02A C02J C01Y 179.92(16) . . . . ?
C02S C02I C02K C02E 179.95(14) . . . . ?
C006 N001 C00H C00C -178.89(15) . . . . ?
C006 N001 C00H C01E 0.91(17) . . . . ?
C006 C00P C01E C00H 0.69(17) . . . . ?
C006 C00P C01E C01V 179.43(19) . . . . ?
C008 C00T C02A C02J 0.4(2) . . . . ?
C008 C00T C02A C02S -179.26(15) . . . . ?
C008 C01L C01Y C02J 0.5(2) . . . . ?
C008 C01L C017 C00C 26.1(2) . . . . ?
C008 C01L C017 C025 -154.05(16) . . . . ?
C009 C00G C00Q C00Z 0.4(2) . . . . ?
C009 C00S C00U C00Z 0.3(2) . . . . ?
C017 C00C C00H N001 179.17(15) . . . . ?
C017 C00C C00H C01E -0.6(2) . . . . ?
C017 C01L C01Y C02J -178.92(16) . . . . ?
C017 C01L C008 C00T 179.58(15) . . . . ?
C019 C00R C01D C00Z 176.30(15) . . . . ?
C019 C00R C01D C022 -1.8(2) . . . . ?
C019 C01Z C02M C02N -173.71(15) . . . . ?
C020 C01J C02D C02E 177.98(14) . . . . ?
C022 C01O C01Z C02M 178.31(16) . . . . ?
C022 C01O C01Z C019 -1.0(2) . . . . ?
N002 C00A C00Y C01H -179.36(14) . . . . ?
N002 C00A C00Y C010 0.75(17) . . . . ?
N002 C00A C005 C013 179.35(15) . . . . ?
N002 C00D C007 C00B 174.2(2) . . . . ?
N002 C00D C007 C00M -8.5(4) . . . . ?
N002 C00D C010 N003 -175.72(13) . . . . ?
N002 C00D C010 C00Y 0.38(18) . . . . ?
N003 C00B C00L C011 178.56(15) . . . . ?
N003 C00B C007 C00D 0.70(17) . . . . ?
N003 C00B C007 C00M -177.16(14) . . . . ?
C00A N002 C00D C007 -175.3(2) . . . . ?
C00A N002 C00D C010 0.10(17) . . . . ?
C00A C00Y C01H C016 -0.3(2) . . . . ?
C00A C00Y C010 N003 173.5(2) . . . . ?
C00A C00Y C010 C00D -0.68(18) . . . . ?
C00A C005 C013 C016 0.3(2) . . . . ?
C00A C005 C013 C018 -179.78(14) . . . . ?
C00B N003 C010 C00D -0.82(18) . . . . ?
C00B N003 C010 C00Y -174.9(2) . . . . ?
C00B C00L C011 C00V -1.5(2) . . . . ?
C00B C00L C011 C015 178.49(14) . . . . ?
C00D N002 C00A C00Y -0.54(17) . . . . ?
C00D N002 C00A C005 179.64(16) . . . . ?
C00E C00F C018 C01S -0.2(2) . . . . ?
C00E C00F C018 C013 179.68(14) . . . . ?
C00E C01G C02F C01S 0.0(2) . . . . ?
C00F C00E C01G C01B -178.24(14) . . . . ?
C00F C00E C01G C02F -0.2(2) . . . . ?
C00I C00J C00X C00W -1.6(2) . . . . ?
C00I C00J C00X C01X 177.07(15) . . . . ?
C00J C00I C015 C00O 2.2(2) . . . . ?
C00J C00I C015 C011 -175.88(14) . . . . ?
C00J C00X C01X C012 172.18(15) . . . . ?
C00L C00B C007 C00D -179.80(15) . . . . ?
C00L C00B C007 C00M 2.3(2) . . . . ?
C00L C011 C015 C00I 144.18(16) . . . . ?
C00L C011 C015 C00O -33.8(2) . . . . ?
C00M C00V C011 C00L 2.4(2) . . . . ?
C00M C00V C011 C015 -177.57(14) . . . . ?
C00N N002 C00A C00Y -177.71(14) . . . . ?
C00N N002 C00A C005 2.5(3) . . . . ?
C00N N002 C00D C007 1.8(3) . . . . ?
C00N N002 C00D C010 177.20(14) . . . . ?
C00O C00W C00X C00J 1.7(2) . . . . ?
C00O C00W C00X C01X -176.95(15) . . . . ?
C00V C00M C007 C00B -1.4(2) . . . . ?
C00V C00M C007 C00D -178.36(17) . . . . ?
C00V C011 C015 C00I -35.8(2) . . . . ?
C00V C011 C015 C00O 146.16(15) . . . . ?
C00W C00O C015 C00I -2.1(2) . . . . ?
C00W C00O C015 C011 175.97(15) . . . . ?
C00W C00X C01X C012 -9.2(2) . . . . ?
C00X C01X C012 C01C 178.50(14) . . . . ?
C00Y C00A C005 C013 -0.4(2) . . . . ?
C00Y C01H C016 C013 0.1(3) . . . . ?
C01B C01G C02F C01S 178.08(15) . . . . ?
C01G C00E C00F C018 0.3(2) . . . . ?
C01G C01B C01T C01R 179.94(14) . . . . ?
C01H C00Y C010 N003 -6.4(4) . . . . ?
C01H C00Y C010 C00D 179.46(19) . . . . ?
C01I C01M C01U C01K -179.39(14) . . . . ?
C01K C01R C01T C01B 175.85(13) . . . . ?
C01M C01I C023 C01A -179.00(14) . . . . ?
C01N C014 C028 C01F 179.89(14) . . . . ?
C01Q C01N C014 C028 -177.88(14) . . . . ?
C01R C01K C01U C01M 168.33(13) . . . . ?
C01T C01B C01G C00E 85.82(19) . . . . ?
C01T C01B C01G C02F -92.15(19) . . . . ?
C01U C01K C01R C01T 179.66(13) . . . . ?
C02F C01S C018 C00F 0.0(2) . . . . ?
C02F C01S C018 C013 -179.83(15) . . . . ?
C02O C01A C023 C01I -177.94(14) . . . . ?
C005 C00A C00Y C01H 0.5(2) . . . . ?
C005 C00A C00Y C010 -179.42(14) . . . . ?
C005 C013 C016 C01H -0.1(2) . . . . ?
C005 C013 C018 C00F -33.0(2) . . . . ?
C005 C013 C018 C01S 146.81(15) . . . . ?
C007 C00B C00L C011 -0.8(2) . . . . ?
C007 C00D C010 N003 1.28(18) . . . . ?
C007 C00D C010 C00Y 177.38(13) . . . . ?
C007 C00M C00V C011 -0.9(2) . . . . ?
C010 N003 C00B C00L -179.41(16) . . . . ?
C010 N003 C00B C007 0.04(18) . . . . ?
C010 C00D C007 C00B -1.19(17) . . . . ?
C010 C00D C007 C00M 176.03(18) . . . . ?
C010 C00Y C01H C016 179.54(18) . . . . ?
C012 C01C C024 C01F -179.38(14) . . . . ?
C014 C01N C01Q C02L 178.62(14) . . . . ?
C015 C00I C00J C00X -0.4(2) . . . . ?
C015 C00O C00W C00X 0.2(2) . . . . ?
C016 C013 C018 C00F 146.91(15) . . . . ?
C016 C013 C018 C01S -33.2(2) . . . . ?
C018 C01S C02F C01G 0.0(3) . . . . ?
C018 C013 C016 C01H 179.94(15) . . . . ?
C023 C01I C01M C01U 173.77(14) . . . . ?
C024 C01C C012 C01X -175.04(14) . . . . ?
C024 C01F C028 C014 -177.24(14) . . . . ?
C026 N003 C00B C00L -9.0(3) . . . . ?
C026 N003 C00B C007 170.41(15) . . . . ?
C026 N003 C010 C00D -171.10(16) . . . . ?
C026 N003 C010 C00Y 14.8(3) . . . . ?
C028 C01F C024 C01C -173.41(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
