#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/24/4332420.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332420
loop_
_publ_author_name
'del C. Fernández-Fernández, M.'
'Bastida, R.'
'Macías, A.'
'Pérez-Lourido, P.'
'Platas-Iglesias, C.'
'Valencia, L.'
_publ_section_title
;
 Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic
 Ligand: 1H NMR Structural Determination in Solution, X-ray
 Diffraction, and Density-Functional Theory Calculations
;
_journal_issue                   11
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4484
_journal_page_last               4496
_journal_paper_doi               10.1021/ic0603508
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C46 H52 N18 O19.5 Pr2'
_chemical_formula_weight         1450.88
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.331(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.767(5)
_cell_length_b                   10.516(2)
_cell_length_c                   21.566(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5547.1(18)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_data_reduction        'BRUKER Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  Smart-CCD-1000
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0869
_diffrn_reflns_av_sigmaI/netI    0.0908
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            47753
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         0.83
_exptl_absorpt_coefficient_mu    1.828
_exptl_absorpt_correction_T_max  0.8827
_exptl_absorpt_correction_T_min  0.7464
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.603
_refine_diff_density_min         -1.392
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     780
_refine_ls_number_reflns         11412
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1132
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0577P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1349
_reflns_number_gt                5950
_reflns_number_total             11412
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0603508sup1.cif
_cod_data_source_block           '[Pr(L)][Pr(NO3)6].2CH3CN.1.5H2O'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5547.1(19)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C46 H52 N18 O19.50 Pr2'
_cod_database_code               4332420
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.1894(3) 0.8609(6) 0.5993(3) 0.0174(16) Uani 1 1 d .
C1S C 0.3725(5) 0.7967(8) 0.2809(5) 0.045(3) Uani 1 1 d .
C2 C 0.1527(3) 0.8225(6) 0.6297(4) 0.0265(18) Uani 1 1 d .
H2 H 0.1608 0.7545 0.6587 0.032 Uiso 1 1 calc R
C2S C 0.4265(4) 0.7575(9) 0.2875(4) 0.062(3) Uani 1 1 d .
H2S1 H 0.4378 0.6941 0.3210 0.093 Uiso 1 1 calc R
H2S2 H 0.4506 0.8293 0.2990 0.093 Uiso 1 1 calc R
H2S3 H 0.4276 0.7226 0.2468 0.093 Uiso 1 1 calc R
C3 C 0.1037(3) 0.8863(7) 0.6167(4) 0.032(2) Uani 1 1 d .
H3 H 0.0776 0.8588 0.6352 0.038 Uiso 1 1 calc R
C3S C 0.1240(5) 0.3153(10) 0.2337(4) 0.052(3) Uani 1 1 d .
C4 C 0.0935(3) 0.9914(7) 0.5760(4) 0.0247(19) Uani 1 1 d .
H4 H 0.0609 1.0361 0.5673 0.030 Uiso 1 1 calc R
C4S C 0.0681(5) 0.2745(9) 0.2086(5) 0.068(3) Uani 1 1 d .
H4S1 H 0.0541 0.2596 0.2443 0.103 Uiso 1 1 calc R
H4S2 H 0.0661 0.1974 0.1841 0.103 Uiso 1 1 calc R
H4S3 H 0.0468 0.3394 0.1807 0.103 Uiso 1 1 calc R
C5 C 0.1330(3) 1.0285(7) 0.5486(3) 0.0173(16) Uani 1 1 d .
C6 C 0.1260(3) 1.1437(6) 0.5057(3) 0.0186(16) Uani 1 1 d .
H6A H 0.0873 1.1616 0.4866 0.022 Uiso 1 1 calc R
H6B H 0.1428 1.2163 0.5322 0.022 Uiso 1 1 calc R
C7 C 0.1499(3) 1.2531(6) 0.4191(3) 0.0203(16) Uani 1 1 d .
H7A H 0.1159 1.2965 0.4156 0.024 Uiso 1 1 calc R
H7B H 0.1512 1.2383 0.3753 0.024 Uiso 1 1 calc R
C8 C 0.1971(3) 1.3369(6) 0.4553(3) 0.0176(16) Uani 1 1 d .
H8A H 0.1956 1.4151 0.4309 0.021 Uiso 1 1 calc R
H8B H 0.1936 1.3589 0.4975 0.021 Uiso 1 1 calc R
C9 C 0.2669(3) 1.2853(7) 0.4045(3) 0.0227(17) Uani 1 1 d .
H9A H 0.2773 1.3724 0.3997 0.027 Uiso 1 1 calc R
H9B H 0.2353 1.2651 0.3672 0.027 Uiso 1 1 calc R
C10 C 0.3132(3) 1.1986(6) 0.4045(3) 0.0152(15) Uani 1 1 d .
C11 C 0.3449(3) 1.2247(7) 0.3642(3) 0.0249(18) Uani 1 1 d .
H11 H 0.3387 1.2981 0.3388 0.030 Uiso 1 1 calc R
C12 C 0.3855(3) 1.1409(6) 0.3624(3) 0.0236(17) Uani 1 1 d .
H12 H 0.4066 1.1556 0.3351 0.028 Uiso 1 1 calc R
C13 C 0.3939(3) 1.0364(7) 0.4013(3) 0.0216(17) Uani 1 1 d .
H13 H 0.4217 0.9796 0.4016 0.026 Uiso 1 1 calc R
C14 C 0.3616(3) 1.0141(6) 0.4404(3) 0.0164(17) Uani 1 1 d .
C15 C 0.3706(3) 0.8994(6) 0.4846(3) 0.0243(18) Uani 1 1 d .
H15A H 0.3916 0.8361 0.4700 0.029 Uiso 1 1 calc R
H15B H 0.3912 0.9240 0.5288 0.029 Uiso 1 1 calc R
C16 C 0.3263(3) 0.7403(6) 0.5338(3) 0.0182(17) Uani 1 1 d .
H16A H 0.3585 0.6921 0.5341 0.022 Uiso 1 1 calc R
H16B H 0.2953 0.6829 0.5220 0.022 Uiso 1 1 calc R
C17 C 0.3342(3) 0.7926(6) 0.6015(3) 0.0212(17) Uani 1 1 d .
H17A H 0.3390 0.7226 0.6320 0.025 Uiso 1 1 calc R
H17B H 0.3671 0.8440 0.6149 0.025 Uiso 1 1 calc R
C18 C 0.2411(3) 0.7887(6) 0.6084(3) 0.0212(17) Uani 1 1 d .
H18A H 0.2345 0.7228 0.5753 0.025 Uiso 1 1 calc R
H18B H 0.2516 0.7475 0.6507 0.025 Uiso 1 1 calc R
C19 C 0.1166(3) 1.0403(7) 0.4042(3) 0.0203(16) Uani 1 1 d .
H19A H 0.0811 1.0790 0.3842 0.024 Uiso 1 1 calc R
H19B H 0.1111 0.9630 0.4259 0.024 Uiso 1 1 calc R
C20 C 0.1412(3) 1.0068(6) 0.3518(4) 0.0193(17) Uani 1 1 d .
C21 C 0.1082(3) 0.9651(7) 0.2912(4) 0.0258(18) Uani 1 1 d .
H21 H 0.0708 0.9547 0.2837 0.031 Uiso 1 1 calc R
C22 C 0.1299(3) 0.9396(7) 0.2431(3) 0.0260(18) Uani 1 1 d .
H22 H 0.1083 0.9084 0.2029 0.031 Uiso 1 1 calc R
C23 C 0.1852(3) 0.9613(6) 0.2555(3) 0.0263(18) Uani 1 1 d .
H23 H 0.2012 0.9492 0.2229 0.032 Uiso 1 1 calc R
C24 C 0.2158(3) 1.0005(6) 0.3161(4) 0.0204(17) Uani 1 1 d .
H24 H 0.2530 1.0138 0.3234 0.025 Uiso 1 1 calc R
C25 C 0.2922(3) 1.3454(7) 0.5183(3) 0.0268(19) Uani 1 1 d .
H25A H 0.2897 1.4353 0.5079 0.032 Uiso 1 1 calc R
H25B H 0.3287 1.3170 0.5213 0.032 Uiso 1 1 calc R
C26 C 0.2829(3) 1.3257(7) 0.5828(4) 0.0269(19) Uani 1 1 d .
C27 C 0.3059(3) 1.4087(7) 0.6336(4) 0.031(2) Uani 1 1 d .
H27 H 0.3286 1.4742 0.6289 0.037 Uiso 1 1 calc R
C28 C 0.2944(3) 1.3924(7) 0.6918(4) 0.031(2) Uani 1 1 d .
H28 H 0.3108 1.4445 0.7274 0.038 Uiso 1 1 calc R
C29 C 0.2588(3) 1.2990(7) 0.6965(4) 0.034(2) Uani 1 1 d .
H29 H 0.2483 1.2906 0.7338 0.041 Uiso 1 1 calc R
C30 C 0.2389(3) 1.2177(7) 0.6439(4) 0.031(2) Uani 1 1 d .
H30 H 0.2154 1.1532 0.6476 0.037 Uiso 1 1 calc R
C31 C 0.2918(3) 0.7853(6) 0.4193(3) 0.0179(16) Uani 1 1 d .
H31A H 0.3133 0.7122 0.4150 0.021 Uiso 1 1 calc R
H31B H 0.2924 0.8461 0.3857 0.021 Uiso 1 1 calc R
C32 C 0.2335(3) 0.7436(6) 0.4085(3) 0.0207(17) Uani 1 1 d .
C33 C 0.2095(3) 0.6603(6) 0.3582(4) 0.0246(18) Uani 1 1 d .
H33 H 0.2286 0.6302 0.3311 0.030 Uiso 1 1 calc R
C34 C 0.1557(3) 0.6228(7) 0.3492(3) 0.0256(18) Uani 1 1 d .
H34 H 0.1374 0.5710 0.3143 0.031 Uiso 1 1 calc R
C35 C 0.1306(3) 0.6635(6) 0.3927(3) 0.0232(17) Uani 1 1 d .
H35 H 0.0954 0.6359 0.3890 0.028 Uiso 1 1 calc R
C36 C 0.1577(3) 0.7459(6) 0.4425(3) 0.0192(17) Uani 1 1 d .
H36 H 0.1406 0.7710 0.4726 0.023 Uiso 1 1 calc R
C37 C 0.3038(3) 0.9468(7) 0.6657(4) 0.041(2) Uani 1 1 d .
H37A H 0.3175 0.8905 0.7029 0.049 Uiso 1 1 calc R
H37B H 0.2724 0.9921 0.6703 0.049 Uiso 1 1 calc R
C38 C 0.3479(4) 1.0409(8) 0.6639(5) 0.042(2) Uani 1 1 d .
C39 C 0.3859(4) 1.0846(9) 0.7216(4) 0.045(3) Uani 1 1 d .
H39 H 0.3850 1.0569 0.7622 0.054 Uiso 1 1 calc R
C40 C 0.4233(4) 1.1674(8) 0.7164(4) 0.040(2) Uani 1 1 d .
H40 H 0.4478 1.2001 0.7545 0.048 Uiso 1 1 calc R
C41 C 0.4276(3) 1.2066(8) 0.6584(5) 0.045(2) Uani 1 1 d .
H41 H 0.4548 1.2625 0.6558 0.053 Uiso 1 1 calc R
C42 C 0.3875(3) 1.1566(7) 0.6010(4) 0.039(2) Uani 1 1 d .
H42 H 0.3903 1.1819 0.5608 0.047 Uiso 1 1 calc R
N1 N 0.1804(2) 0.9621(5) 0.5592(3) 0.0138(12) Uani 1 1 d .
N1N N 0.6133(3) 0.0169(5) 0.0983(3) 0.0216(15) Uani 1 1 d .
N1S N 0.3288(4) 0.8264(7) 0.2757(4) 0.056(2) Uani 1 1 d .
N2 N 0.1507(2) 1.1271(5) 0.4526(3) 0.0151(13) Uani 1 1 d .
N2N N 0.4571(2) -0.0786(7) 0.1112(3) 0.0292(16) Uani 1 1 d .
N2S N 0.1685(4) 0.3489(9) 0.2550(4) 0.077(3) Uani 1 1 d .
N3 N 0.2515(2) 1.2743(5) 0.4653(3) 0.0174(13) Uani 1 1 d .
N3N N 0.5146(3) -0.2769(6) -0.0311(3) 0.0309(16) Uani 1 1 d .
N4 N 0.3215(2) 1.0952(5) 0.4422(3) 0.0203(14) Uani 1 1 d .
N4N N 0.9839(2) 0.2335(5) 0.5441(3) 0.0235(15) Uani 1 1 d .
N5 N 0.3169(2) 0.8436(5) 0.4838(3) 0.0208(14) Uani 1 1 d .
N5N N 1.0082(2) 0.4026(6) 0.3696(3) 0.0276(15) Uani 1 1 d .
N6 N 0.2871(2) 0.8709(5) 0.6040(3) 0.0184(13) Uani 1 1 d .
N6N N 1.1233(3) 0.4962(5) 0.5598(3) 0.0253(16) Uani 1 1 d .
N7 N 0.1962(2) 1.0217(5) 0.3665(3) 0.0156(13) Uani 1 1 d .
N8 N 0.2512(3) 1.2253(6) 0.5887(3) 0.0258(15) Uani 1 1 d .
N9 N 0.2076(2) 0.7906(5) 0.4486(3) 0.0210(14) Uani 1 1 d .
N10 N 0.3481(2) 1.0800(6) 0.5999(3) 0.0340(18) Uani 1 1 d .
O1N O 0.5726(2) -0.0191(4) 0.1146(2) 0.0213(12) Uani 1 1 d .
O2N O 0.6070(2) 0.0344(5) 0.0382(2) 0.0269(13) Uani 1 1 d .
O2W O 0.9779(5) 0.0918(11) 0.2761(6) 0.050(3) Uani 0.50 1 d P
O3N O 0.6587(2) 0.0317(4) 0.1400(2) 0.0294(13) Uani 1 1 d .
O4N O 0.4729(2) -0.1629(5) 0.0769(2) 0.0275(13) Uani 1 1 d .
O5N O 0.4599(2) 0.0348(5) 0.0951(2) 0.0270(13) Uani 1 1 d .
O6N O 0.4403(2) -0.1115(6) 0.1562(2) 0.0470(17) Uani 1 1 d .
O7N O 0.5310(2) 0.2200(4) 0.0555(2) 0.0269(12) Uani 1 1 d .
O8N O 0.5188(2) -0.3894(5) -0.0450(3) 0.0470(17) Uani 1 1 d .
O9N O 0.5534(2) -0.2145(4) 0.0060(2) 0.0263(12) Uani 1 1 d .
O10N O 0.94459(19) 0.3015(4) 0.5102(2) 0.0253(12) Uani 1 1 d .
O11N O 1.0319(2) 0.2792(4) 0.5535(2) 0.0248(12) Uani 1 1 d .
O12N O 0.9771(2) 0.1311(5) 0.5670(3) 0.0352(14) Uani 1 1 d .
O13N O 1.0047(2) 0.3264(4) 0.4130(2) 0.0262(12) Uani 1 1 d .
O14N O 1.0089(2) 0.5200(5) 0.3820(2) 0.0257(12) Uani 1 1 d .
O15N O 1.0117(2) 0.3621(5) 0.3169(3) 0.0460(17) Uani 1 1 d .
O16N O 0.9081(2) 0.4748(5) 0.4072(2) 0.0239(13) Uani 1 1 d .
O17N O 1.1737(2) 0.5076(5) 0.5821(3) 0.0309(14) Uani 1 1 d .
O18N O 1.10065(18) 0.4540(4) 0.5023(2) 0.0180(11) Uani 1 1 d .
01W O 0.4784(3) 0.5954(6) 0.1388(3) 0.074(2) Uani 1 1 d .
Pr1 Pr 0.251411(17) 1.02984(3) 0.50143(2) 0.01365(10) Uani 1 1 d .
Pr2 Pr 0.5000 0.0000 0.0000 0.01651(16) Uani 1 2 d S
Pr3 Pr 1.0000 0.5000 0.5000 0.01635(16) Uani 1 2 d S
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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 122.4(6) . .
N1 C1 C18 117.0(6) . .
C2 C1 C18 120.6(6) . .
N1S C1S C2S 179.0(11) . .
C1 C2 C3 119.0(7) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C1S C2S H2S1 109.5 . .
C1S C2S H2S2 109.5 . .
H2S1 C2S H2S2 109.5 . .
C1S C2S H2S3 109.5 . .
H2S1 C2S H2S3 109.5 . .
H2S2 C2S H2S3 109.5 . .
C2 C3 C4 119.7(7) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
N2S C3S C4S 178.3(11) . .
C3 C4 C5 118.6(7) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
C3S C4S H4S1 109.5 . .
C3S C4S H4S2 109.5 . .
H4S1 C4S H4S2 109.5 . .
C3S C4S H4S3 109.5 . .
H4S1 C4S H4S3 109.5 . .
H4S2 C4S H4S3 109.5 . .
N1 C5 C4 121.6(6) . .
N1 C5 C6 116.4(6) . .
C4 C5 C6 122.0(6) . .
N2 C6 C5 112.5(5) . .
N2 C6 H6A 109.1 . .
C5 C6 H6A 109.1 . .
N2 C6 H6B 109.1 . .
C5 C6 H6B 109.1 . .
H6A C6 H6B 107.8 . .
N2 C7 C8 112.3(5) . .
N2 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
N2 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
N3 C8 C7 112.5(5) . .
N3 C8 H8A 109.1 . .
C7 C8 H8A 109.1 . .
N3 C8 H8B 109.1 . .
C7 C8 H8B 109.1 . .
H8A C8 H8B 107.8 . .
N3 C9 C10 112.6(6) . .
N3 C9 H9A 109.1 . .
C10 C9 H9A 109.1 . .
N3 C9 H9B 109.1 . .
C10 C9 H9B 109.1 . .
H9A C9 H9B 107.8 . .
N4 C10 C11 121.9(6) . .
N4 C10 C9 117.9(6) . .
C11 C10 C9 120.1(6) . .
C12 C11 C10 119.4(7) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
C13 C12 C11 118.4(7) . .
C13 C12 H12 120.8 . .
C11 C12 H12 120.8 . .
C12 C13 C14 120.3(7) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
N4 C14 C13 121.7(6) . .
N4 C14 C15 116.9(6) . .
C13 C14 C15 121.3(7) . .
N5 C15 C14 110.4(5) . .
N5 C15 H15A 109.6 . .
C14 C15 H15A 109.6 . .
N5 C15 H15B 109.6 . .
C14 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
N5 C16 C17 111.9(5) . .
N5 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
N5 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
N6 C17 C16 112.0(5) . .
N6 C17 H17A 109.2 . .
C16 C17 H17A 109.2 . .
N6 C17 H17B 109.2 . .
C16 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C1 C18 N6 113.0(5) . .
C1 C18 H18A 109.0 . .
N6 C18 H18A 109.0 . .
C1 C18 H18B 109.0 . .
N6 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
N2 C19 C20 112.6(6) . .
N2 C19 H19A 109.1 . .
C20 C19 H19A 109.1 . .
N2 C19 H19B 109.1 . .
C20 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
N7 C20 C21 122.9(7) . .
N7 C20 C19 116.9(6) . .
C21 C20 C19 120.1(7) . .
C22 C21 C20 120.3(7) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C21 C22 C23 118.0(7) . .
C21 C22 H22 121.0 . .
C23 C22 H22 121.0 . .
C24 C23 C22 119.1(7) . .
C24 C23 H23 120.4 . .
C22 C23 H23 120.4 . .
N7 C24 C23 124.7(7) . .
N7 C24 H24 117.6 . .
C23 C24 H24 117.6 . .
N3 C25 C26 111.3(6) . .
N3 C25 H25A 109.4 . .
C26 C25 H25A 109.4 . .
N3 C25 H25B 109.4 . .
C26 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
N8 C26 C27 122.3(7) . .
N8 C26 C25 117.9(6) . .
C27 C26 C25 119.7(7) . .
C26 C27 C28 118.7(8) . .
C26 C27 H27 120.7 . .
C28 C27 H27 120.7 . .
C29 C28 C27 119.5(7) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C28 C29 C30 117.9(8) . .
C28 C29 H29 121.0 . .
C30 C29 H29 121.0 . .
N8 C30 C29 124.5(8) . .
N8 C30 H30 117.7 . .
C29 C30 H30 117.7 . .
N5 C31 C32 112.8(6) . .
N5 C31 H31A 109.0 . .
C32 C31 H31A 109.0 . .
N5 C31 H31B 109.0 . .
C32 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
N9 C32 C33 123.4(7) . .
N9 C32 C31 117.7(6) . .
C33 C32 C31 118.9(7) . .
C32 C33 C34 118.0(7) . .
C32 C33 H33 121.0 . .
C34 C33 H33 121.0 . .
C35 C34 C33 118.8(7) . .
C35 C34 H34 120.6 . .
C33 C34 H34 120.6 . .
C34 C35 C36 119.6(7) . .
C34 C35 H35 120.2 . .
C36 C35 H35 120.2 . .
N9 C36 C35 122.1(7) . .
N9 C36 H36 118.9 . .
C35 C36 H36 118.9 . .
N6 C37 C38 109.4(7) . .
N6 C37 H37A 109.8 . .
C38 C37 H37A 109.8 . .
N6 C37 H37B 109.8 . .
C38 C37 H37B 109.8 . .
H37A C37 H37B 108.2 . .
C39 C38 N10 123.2(8) . .
C39 C38 C37 120.8(8) . .
N10 C38 C37 116.0(8) . .
C40 C39 C38 117.6(9) . .
C40 C39 H39 121.2 . .
C38 C39 H39 121.2 . .
C39 C40 C41 123.3(9) . .
C39 C40 H40 118.4 . .
C41 C40 H40 118.4 . .
C40 C41 C42 116.1(8) . .
C40 C41 H41 122.0 . .
C42 C41 H41 122.0 . .
N10 C42 C41 126.2(8) . .
N10 C42 H42 116.9 . .
C41 C42 H42 116.9 . .
C1 N1 C5 118.6(6) . .
C1 N1 Pr1 121.1(4) . .
C5 N1 Pr1 120.4(4) . .
O3N N1N O1N 120.8(6) . .
O3N N1N O2N 120.7(6) . .
O1N N1N O2N 118.5(6) . .
C19 N2 C6 108.6(5) . .
C19 N2 C7 107.1(5) . .
C6 N2 C7 108.8(5) . .
C19 N2 Pr1 109.5(4) . .
C6 N2 Pr1 109.8(4) . .
C7 N2 Pr1 112.9(4) . .
O6N N2N O5N 123.6(7) . .
O6N N2N O4N 120.6(7) . .
O5N N2N O4N 115.8(6) . .
C25 N3 C9 108.6(5) . .
C25 N3 C8 107.0(5) . .
C9 N3 C8 109.5(5) . .
C25 N3 Pr1 108.9(4) . .
C9 N3 Pr1 110.7(4) . .
C8 N3 Pr1 112.1(4) . .
O8N N3N O9N 122.9(7) . .
O8N N3N O7N 119.3(6) . 3_655
O9N N3N O7N 117.8(6) . 3_655
C10 N4 C14 118.2(6) . .
C10 N4 Pr1 120.7(4) . .
C14 N4 Pr1 120.1(4) . .
O12N N4N O10N 122.8(6) . .
O12N N4N O11N 121.4(6) . .
O10N N4N O11N 115.8(6) . .
C31 N5 C16 107.6(5) . .
C31 N5 C15 107.7(5) . .
C16 N5 C15 109.7(5) . .
C31 N5 Pr1 109.1(4) . .
C16 N5 Pr1 113.2(4) . .
C15 N5 Pr1 109.4(4) . .
O15N N5N O13N 120.4(6) . .
O15N N5N O14N 121.9(7) . .
O13N N5N O14N 117.8(6) . .
C17 N6 C37 108.7(5) . .
C17 N6 C18 110.9(5) . .
C37 N6 C18 105.3(5) . .
C17 N6 Pr1 112.8(4) . .
C37 N6 Pr1 109.1(4) . .
C18 N6 Pr1 109.7(4) . .
O17N N6N O16N 122.3(6) . 3_766
O17N N6N O18N 121.0(7) . .
O16N N6N O18N 116.7(6) 3_766 .
C24 N7 C20 114.7(6) . .
C24 N7 Pr1 129.8(5) . .
C20 N7 Pr1 113.4(5) . .
C30 N8 C26 116.6(7) . .
C30 N8 Pr1 127.8(5) . .
C26 N8 Pr1 112.3(5) . .
C36 N9 C32 117.7(6) . .
C36 N9 Pr1 126.8(5) . .
C32 N9 Pr1 111.7(4) . .
C42 N10 C38 113.6(7) . .
C42 N10 Pr1 130.3(6) . .
C38 N10 Pr1 114.0(5) . .
N1N O1N Pr2 97.2(4) . .
N1N O2N Pr2 94.8(4) . .
N2N O4N Pr2 96.2(4) . .
N2N O5N Pr2 99.0(4) . .
N3N O7N Pr2 96.7(4) 3_655 .
N3N O9N Pr2 96.7(4) . .
N4N O10N Pr3 98.2(4) . .
N4N O11N Pr3 96.3(4) . .
N5N O13N Pr3 96.8(4) . .
N5N O14N Pr3 97.2(4) . .
N6N O16N Pr3 97.6(4) 3_766 .
N6N O18N Pr3 95.9(4) . .
N4 Pr1 N1 179.11(16) . .
N4 Pr1 N2 116.18(16) . .
N1 Pr1 N2 63.53(16) . .
N4 Pr1 N3 62.78(17) . .
N1 Pr1 N3 117.57(16) . .
N2 Pr1 N3 67.01(16) . .
N4 Pr1 N5 63.97(17) . .
N1 Pr1 N5 115.68(17) . .
N2 Pr1 N5 142.79(16) . .
N3 Pr1 N5 126.75(17) . .
N4 Pr1 N6 117.05(17) . .
N1 Pr1 N6 63.24(17) . .
N2 Pr1 N6 126.76(16) . .
N3 Pr1 N6 143.21(16) . .
N5 Pr1 N6 66.19(17) . .
N4 Pr1 N10 74.37(19) . .
N1 Pr1 N10 106.42(19) . .
N2 Pr1 N10 139.08(17) . .
N3 Pr1 N10 87.54(17) . .
N5 Pr1 N10 78.10(17) . .
N6 Pr1 N10 59.74(18) . .
N4 Pr1 N8 106.52(18) . .
N1 Pr1 N8 74.28(17) . .
N2 Pr1 N8 77.05(17) . .
N3 Pr1 N8 59.34(16) . .
N5 Pr1 N8 140.09(18) . .
N6 Pr1 N8 88.65(16) . .
N10 Pr1 N8 62.26(18) . .
N4 Pr1 N7 72.83(16) . .
N1 Pr1 N7 106.39(16) . .
N2 Pr1 N7 59.47(16) . .
N3 Pr1 N7 77.03(15) . .
N5 Pr1 N7 88.13(16) . .
N6 Pr1 N7 139.67(16) . .
N10 Pr1 N7 147.19(19) . .
N8 Pr1 N7 127.84(16) . .
N4 Pr1 N9 106.58(17) . .
N1 Pr1 N9 72.61(16) . .
N2 Pr1 N9 88.11(16) . .
N3 Pr1 N9 140.05(16) . .
N5 Pr1 N9 59.13(16) . .
N6 Pr1 N9 76.71(16) . .
N10 Pr1 N9 128.59(16) . .
N8 Pr1 N9 146.89(18) . .
N7 Pr1 N9 63.26(15) . .
O5N Pr2 O5N 180.00(17) . 3_655
O5N Pr2 O1N 66.82(16) . .
O5N Pr2 O1N 113.18(16) 3_655 .
O5N Pr2 O1N 113.18(16) . 3_655
O5N Pr2 O1N 66.82(16) 3_655 3_655
O1N Pr2 O1N 180.0(3) . 3_655
O5N Pr2 O7N 69.77(15) . .
O5N Pr2 O7N 110.23(15) 3_655 .
O1N Pr2 O7N 66.89(14) . .
O1N Pr2 O7N 113.11(14) 3_655 .
O5N Pr2 O7N 110.23(15) . 3_655
O5N Pr2 O7N 69.77(15) 3_655 3_655
O1N Pr2 O7N 113.12(14) . 3_655
O1N Pr2 O7N 66.88(14) 3_655 3_655
O7N Pr2 O7N 180.0(4) . 3_655
O5N Pr2 O9N 65.43(15) . 3_655
O5N Pr2 O9N 114.57(15) 3_655 3_655
O1N Pr2 O9N 108.85(15) . 3_655
O1N Pr2 O9N 71.15(15) 3_655 3_655
O7N Pr2 O9N 48.81(15) . 3_655
O7N Pr2 O9N 131.19(15) 3_655 3_655
O5N Pr2 O9N 114.57(15) . .
O5N Pr2 O9N 65.43(15) 3_655 .
O1N Pr2 O9N 71.15(15) . .
O1N Pr2 O9N 108.85(15) 3_655 .
O7N Pr2 O9N 131.19(15) . .
O7N Pr2 O9N 48.81(15) 3_655 .
O9N Pr2 O9N 180.00(19) 3_655 .
O5N Pr2 O4N 131.10(15) . 3_655
O5N Pr2 O4N 48.90(15) 3_655 3_655
O1N Pr2 O4N 113.34(15) . 3_655
O1N Pr2 O4N 66.66(15) 3_655 3_655
O7N Pr2 O4N 66.88(15) . 3_655
O7N Pr2 O4N 113.12(15) 3_655 3_655
O9N Pr2 O4N 69.39(16) 3_655 3_655
O9N Pr2 O4N 110.61(16) . 3_655
O5N Pr2 O4N 48.90(15) . .
O5N Pr2 O4N 131.10(15) 3_655 .
O1N Pr2 O4N 66.66(15) . .
O1N Pr2 O4N 113.34(15) 3_655 .
O7N Pr2 O4N 113.12(15) . .
O7N Pr2 O4N 66.88(15) 3_655 .
O9N Pr2 O4N 110.61(16) 3_655 .
O9N Pr2 O4N 69.39(16) . .
O4N Pr2 O4N 180.0(3) 3_655 .
O5N Pr2 O2N 111.75(16) . .
O5N Pr2 O2N 68.25(16) 3_655 .
O1N Pr2 O2N 49.08(15) . .
O1N Pr2 O2N 130.92(15) 3_655 .
O7N Pr2 O2N 66.22(16) . .
O7N Pr2 O2N 113.78(16) 3_655 .
O9N Pr2 O2N 112.17(15) 3_655 .
O9N Pr2 O2N 67.83(15) . .
O4N Pr2 O2N 69.45(15) 3_655 .
O4N Pr2 O2N 110.55(15) . .
O5N Pr2 O2N 68.25(16) . 3_655
O5N Pr2 O2N 111.75(16) 3_655 3_655
O1N Pr2 O2N 130.92(15) . 3_655
O1N Pr2 O2N 49.08(15) 3_655 3_655
O7N Pr2 O2N 113.78(16) . 3_655
O7N Pr2 O2N 66.22(16) 3_655 3_655
O9N Pr2 O2N 67.83(15) 3_655 3_655
O9N Pr2 O2N 112.17(15) . 3_655
O4N Pr2 O2N 110.55(15) 3_655 3_655
O4N Pr2 O2N 69.45(15) . 3_655
O2N Pr2 O2N 180.00(7) . 3_655
O10N Pr3 O10N 180.000(1) . 3_766
O10N Pr3 O16N 114.42(15) . 3_766
O10N Pr3 O16N 65.58(15) 3_766 3_766
O10N Pr3 O16N 65.58(15) . .
O10N Pr3 O16N 114.42(15) 3_766 .
O16N Pr3 O16N 180.000(1) 3_766 .
O10N Pr3 O11N 49.27(15) . .
O10N Pr3 O11N 130.73(15) 3_766 .
O16N Pr3 O11N 70.39(15) 3_766 .
O16N Pr3 O11N 109.61(15) . .
O10N Pr3 O11N 130.73(15) . 3_766
O10N Pr3 O11N 49.27(15) 3_766 3_766
O16N Pr3 O11N 109.61(15) 3_766 3_766
O16N Pr3 O11N 70.39(15) . 3_766
O11N Pr3 O11N 180.0(2) . 3_766
O10N Pr3 O18N 114.85(14) . .
O10N Pr3 O18N 65.15(14) 3_766 .
O16N Pr3 O18N 49.15(15) 3_766 .
O16N Pr3 O18N 130.85(14) . .
O11N Pr3 O18N 69.82(14) . .
O11N Pr3 O18N 110.18(14) 3_766 .
O10N Pr3 O18N 65.15(14) . 3_766
O10N Pr3 O18N 114.85(14) 3_766 3_766
O16N Pr3 O18N 130.85(14) 3_766 3_766
O16N Pr3 O18N 49.15(15) . 3_766
O11N Pr3 O18N 110.18(14) . 3_766
O11N Pr3 O18N 69.82(14) 3_766 3_766
O18N Pr3 O18N 180.000(1) . 3_766
O10N Pr3 O14N 68.52(15) . 3_766
O10N Pr3 O14N 111.48(15) 3_766 3_766
O16N Pr3 O14N 66.27(15) 3_766 3_766
O16N Pr3 O14N 113.73(15) . 3_766
O11N Pr3 O14N 67.22(15) . 3_766
O11N Pr3 O14N 112.78(15) 3_766 3_766
O18N Pr3 O14N 110.67(14) . 3_766
O18N Pr3 O14N 69.33(14) 3_766 3_766
O10N Pr3 O14N 111.48(15) . .
O10N Pr3 O14N 68.52(15) 3_766 .
O16N Pr3 O14N 113.73(15) 3_766 .
O16N Pr3 O14N 66.27(15) . .
O11N Pr3 O14N 112.78(15) . .
O11N Pr3 O14N 67.22(15) 3_766 .
O18N Pr3 O14N 69.33(14) . .
O18N Pr3 O14N 110.67(14) 3_766 .
O14N Pr3 O14N 180.000(1) 3_766 .
O10N Pr3 O13N 110.34(15) . 3_766
O10N Pr3 O13N 69.66(15) 3_766 3_766
O16N Pr3 O13N 67.43(15) 3_766 3_766
O16N Pr3 O13N 112.57(15) . 3_766
O11N Pr3 O13N 112.25(15) . 3_766
O11N Pr3 O13N 67.75(15) 3_766 3_766
O18N Pr3 O13N 112.28(14) . 3_766
O18N Pr3 O13N 67.72(14) 3_766 3_766
O14N Pr3 O13N 48.18(15) 3_766 3_766
O14N Pr3 O13N 131.82(15) . 3_766
O10N Pr3 O13N 69.66(15) . .
O10N Pr3 O13N 110.34(15) 3_766 .
O16N Pr3 O13N 112.57(15) 3_766 .
O16N Pr3 O13N 67.43(15) . .
O11N Pr3 O13N 67.75(15) . .
O11N Pr3 O13N 112.25(15) 3_766 .
O18N Pr3 O13N 67.72(14) . .
O18N Pr3 O13N 112.28(14) 3_766 .
O14N Pr3 O13N 131.82(15) 3_766 .
O14N Pr3 O13N 48.18(15) . .
O13N Pr3 O13N 180.000(1) 3_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.345(8) .
C1 C2 1.370(9) .
C1 C18 1.491(9) .
C1S N1S 1.138(12) .
C1S C2S 1.415(13) .
C2 C3 1.379(10) .
C2 H2 0.9300 .
C2S H2S1 0.9600 .
C2S H2S2 0.9600 .
C2S H2S3 0.9600 .
C3 C4 1.384(9) .
C3 H3 0.9300 .
C3S N2S 1.147(13) .
C3S C4S 1.435(14) .
C4 C5 1.384(9) .
C4 H4 0.9300 .
C4S H4S1 0.9600 .
C4S H4S2 0.9600 .
C4S H4S3 0.9600 .
C5 N1 1.362(8) .
C5 C6 1.500(9) .
C6 N2 1.484(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 N2 1.505(8) .
C7 C8 1.506(9) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 N3 1.502(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N3 1.490(8) .
C9 C10 1.503(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N4 1.334(8) .
C10 C11 1.392(9) .
C11 C12 1.378(10) .
C11 H11 0.9300 .
C12 C13 1.359(9) .
C12 H12 0.9300 .
C13 C14 1.378(9) .
C13 H13 0.9300 .
C14 N4 1.350(8) .
C14 C15 1.509(9) .
C15 N5 1.497(8) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N5 1.496(8) .
C16 C17 1.512(9) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N6 1.480(8) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N6 1.495(8) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N2 1.455(8) .
C19 C20 1.503(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N7 1.358(8) .
C20 C21 1.387(9) .
C21 C22 1.351(9) .
C21 H21 0.9300 .
C22 C23 1.384(9) .
C22 H22 0.9300 .
C23 C24 1.360(9) .
C23 H23 0.9300 .
C24 N7 1.354(8) .
C24 H24 0.9300 .
C25 N3 1.487(8) .
C25 C26 1.498(10) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 N8 1.365(9) .
C26 C27 1.380(9) .
C27 C28 1.388(10) .
C27 H27 0.9300 .
C28 C29 1.368(10) .
C28 H28 0.9300 .
C29 C30 1.383(10) .
C29 H29 0.9300 .
C30 N8 1.328(9) .
C30 H30 0.9300 .
C31 N5 1.472(8) .
C31 C32 1.512(9) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 N9 1.341(8) .
C32 C33 1.379(9) .
C33 C34 1.394(10) .
C33 H33 0.9300 .
C34 C35 1.367(9) .
C34 H34 0.9300 .
C35 C36 1.386(9) .
C35 H35 0.9300 .
C36 N9 1.336(8) .
C36 H36 0.9300 .
C37 N6 1.495(9) .
C37 C38 1.518(11) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.397(11) .
C38 N10 1.443(10) .
C39 C40 1.330(11) .
C39 H39 0.9300 .
C40 C41 1.354(11) .
C40 H40 0.9300 .
C41 C42 1.440(11) .
C41 H41 0.9300 .
C42 N10 1.290(9) .
C42 H42 0.9300 .
N1 Pr1 2.615(5) .
N1N O3N 1.241(7) .
N1N O1N 1.262(7) .
N1N O2N 1.270(7) .
N2 Pr1 2.679(5) .
N2N O6N 1.229(7) .
N2N O5N 1.251(7) .
N2N O4N 1.300(7) .
N3 Pr1 2.686(5) .
N3N O8N 1.234(7) .
N3N O9N 1.252(7) .
N3N O7N 1.276(8) 3_655
N4 Pr1 2.611(6) .
N4N O12N 1.221(7) .
N4N O10N 1.267(7) .
N4N O11N 1.284(7) .
N5 Pr1 2.689(6) .
N5N O15N 1.243(7) .
N5N O13N 1.256(7) .
N5N O14N 1.263(7) .
N6 Pr1 2.693(5) .
N6N O17N 1.239(7) .
N6N O16N 1.272(8) 3_766
N6N O18N 1.274(7) .
N7 Pr1 2.810(5) .
N8 Pr1 2.788(6) .
N9 Pr1 2.845(5) .
N10 Pr1 2.769(6) .
O1N Pr2 2.597(5) .
O2N Pr2 2.642(5) .
O4N Pr2 2.626(5) .
O5N Pr2 2.596(5) .
O7N N3N 1.276(8) 3_655
O7N Pr2 2.611(5) .
O9N Pr2 2.625(5) .
O10N Pr3 2.577(5) .
O11N Pr3 2.608(4) .
O13N Pr3 2.648(5) .
O14N Pr3 2.635(5) .
O16N N6N 1.272(8) 3_766
O16N Pr3 2.588(5) .
O18N Pr3 2.623(4) .
Pr2 O5N 2.596(5) 3_655
Pr2 O1N 2.597(5) 3_655
Pr2 O7N 2.611(5) 3_655
Pr2 O9N 2.625(5) 3_655
Pr2 O4N 2.626(5) 3_655
Pr2 O2N 2.642(5) 3_655
Pr3 O10N 2.577(5) 3_766
Pr3 O16N 2.588(5) 3_766
Pr3 O11N 2.608(4) 3_766
Pr3 O18N 2.623(4) 3_766
Pr3 O14N 2.635(5) 3_766
Pr3 O13N 2.648(5) 3_766
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_4
N1 C1 C2 C3 2.9(11) . .
C18 C1 C2 C3 -175.6(7) . .
C1 C2 C3 C4 -3.3(12) . .
C2 C3 C4 C5 0.9(12) . .
C3 C4 C5 N1 2.0(11) . .
C3 C4 C5 C6 -178.0(7) . .
N1 C5 C6 N2 34.7(8) . .
C4 C5 C6 N2 -145.3(7) . .
N2 C7 C8 N3 56.5(7) . .
N3 C9 C10 N4 24.0(8) . .
N3 C9 C10 C11 -158.2(6) . .
N4 C10 C11 C12 1.0(10) . .
C9 C10 C11 C12 -176.8(6) . .
C10 C11 C12 C13 -1.4(10) . .
C11 C12 C13 C14 1.4(10) . .
C12 C13 C14 N4 -1.1(11) . .
C12 C13 C14 C15 -179.4(6) . .
N4 C14 C15 N5 41.8(8) . .
C13 C14 C15 N5 -139.8(6) . .
N5 C16 C17 N6 57.1(8) . .
N1 C1 C18 N6 32.0(9) . .
C2 C1 C18 N6 -149.5(6) . .
N2 C19 C20 N7 22.0(8) . .
N2 C19 C20 C21 -156.8(6) . .
N7 C20 C21 C22 -1.4(11) . .
C19 C20 C21 C22 177.5(7) . .
C20 C21 C22 C23 -2.6(11) . .
C21 C22 C23 C24 3.5(11) . .
C22 C23 C24 N7 -0.6(11) . .
N3 C25 C26 N8 17.3(9) . .
N3 C25 C26 C27 -162.3(6) . .
N8 C26 C27 C28 -2.7(11) . .
C25 C26 C27 C28 176.8(7) . .
C26 C27 C28 C29 -3.1(11) . .
C27 C28 C29 C30 5.0(11) . .
C28 C29 C30 N8 -1.4(12) . .
N5 C31 C32 N9 16.4(9) . .
N5 C31 C32 C33 -164.0(6) . .
N9 C32 C33 C34 -0.6(11) . .
C31 C32 C33 C34 179.8(6) . .
C32 C33 C34 C35 -4.0(10) . .
C33 C34 C35 C36 3.4(10) . .
C34 C35 C36 N9 1.9(11) . .
N6 C37 C38 C39 -153.3(7) . .
N6 C37 C38 N10 26.3(9) . .
N10 C38 C39 C40 0.8(13) . .
C37 C38 C39 C40 -179.7(8) . .
C38 C39 C40 C41 -2.8(13) . .
C39 C40 C41 C42 2.1(13) . .
C40 C41 C42 N10 0.8(13) . .
C2 C1 N1 C5 0.0(10) . .
C18 C1 N1 C5 178.5(6) . .
C2 C1 N1 Pr1 -179.4(5) . .
C18 C1 N1 Pr1 -0.9(8) . .
C4 C5 N1 C1 -2.4(10) . .
C6 C5 N1 C1 177.5(6) . .
C4 C5 N1 Pr1 177.0(5) . .
C6 C5 N1 Pr1 -3.1(8) . .
C20 C19 N2 C6 -174.1(5) . .
C20 C19 N2 C7 68.5(7) . .
C20 C19 N2 Pr1 -54.2(6) . .
C5 C6 N2 C19 72.8(7) . .
C5 C6 N2 C7 -170.9(6) . .
C5 C6 N2 Pr1 -46.9(6) . .
C8 C7 N2 C19 -160.6(5) . .
C8 C7 N2 C6 82.2(7) . .
C8 C7 N2 Pr1 -40.0(6) . .
C26 C25 N3 C9 -173.4(6) . .
C26 C25 N3 C8 68.5(7) . .
C26 C25 N3 Pr1 -52.8(6) . .
C10 C9 N3 C25 77.7(7) . .
C10 C9 N3 C8 -165.9(5) . .
C10 C9 N3 Pr1 -41.8(6) . .
C7 C8 N3 C25 -162.0(6) . .
C7 C8 N3 C9 80.5(7) . .
C7 C8 N3 Pr1 -42.8(6) . .
C11 C10 N4 C14 -0.5(10) . .
C9 C10 N4 C14 177.3(6) . .
C11 C10 N4 Pr1 -169.5(5) . .
C9 C10 N4 Pr1 8.3(8) . .
C13 C14 N4 C10 0.6(10) . .
C15 C14 N4 C10 179.0(6) . .
C13 C14 N4 Pr1 169.6(5) . .
C15 C14 N4 Pr1 -12.0(8) . .
C32 C31 N5 C16 70.8(7) . .
C32 C31 N5 C15 -171.0(5) . .
C32 C31 N5 Pr1 -52.4(6) . .
C17 C16 N5 C31 -161.1(6) . .
C17 C16 N5 C15 82.0(7) . .
C17 C16 N5 Pr1 -40.4(7) . .
C14 C15 N5 C31 70.1(7) . .
C14 C15 N5 C16 -173.1(6) . .
C14 C15 N5 Pr1 -48.4(6) . .
C16 C17 N6 C37 -164.8(6) . .
C16 C17 N6 C18 80.0(7) . .
C16 C17 N6 Pr1 -43.5(6) . .
C38 C37 N6 C17 65.2(7) . .
C38 C37 N6 C18 -175.9(6) . .
C38 C37 N6 Pr1 -58.2(7) . .
C1 C18 N6 C17 -169.9(5) . .
C1 C18 N6 C37 72.7(7) . .
C1 C18 N6 Pr1 -44.6(6) . .
C23 C24 N7 C20 -3.2(9) . .
C23 C24 N7 Pr1 159.4(5) . .
C21 C20 N7 C24 4.1(9) . .
C19 C20 N7 C24 -174.8(6) . .
C21 C20 N7 Pr1 -161.3(5) . .
C19 C20 N7 Pr1 19.8(7) . .
C29 C30 N8 C26 -4.2(11) . .
C29 C30 N8 Pr1 153.5(6) . .
C27 C26 N8 C30 6.2(11) . .
C25 C26 N8 C30 -173.3(6) . .
C27 C26 N8 Pr1 -154.9(6) . .
C25 C26 N8 Pr1 25.6(8) . .
C35 C36 N9 C32 -6.3(10) . .
C35 C36 N9 Pr1 149.6(5) . .
C33 C32 N9 C36 5.7(10) . .
C31 C32 N9 C36 -174.7(6) . .
C33 C32 N9 Pr1 -153.8(6) . .
C31 C32 N9 Pr1 25.8(7) . .
C41 C42 N10 C38 -2.6(11) . .
C41 C42 N10 Pr1 159.4(6) . .
C39 C38 N10 C42 1.8(11) . .
C37 C38 N10 C42 -177.8(7) . .
C39 C38 N10 Pr1 -163.3(6) . .
C37 C38 N10 Pr1 17.2(9) . .
O3N N1N O1N Pr2 175.0(5) . .
O2N N1N O1N Pr2 -6.8(6) . .
O3N N1N O2N Pr2 -175.1(5) . .
O1N N1N O2N Pr2 6.7(6) . .
O6N N2N O4N Pr2 -179.4(5) . .
O5N N2N O4N Pr2 1.1(6) . .
O6N N2N O5N Pr2 179.4(6) . .
O4N N2N O5N Pr2 -1.1(6) . .
O8N N3N O9N Pr2 179.9(6) . .
O7N N3N O9N Pr2 0.4(6) 3_655 .
O12N N4N O10N Pr3 173.1(6) . .
O11N N4N O10N Pr3 -6.6(6) . .
O12N N4N O11N Pr3 -173.2(6) . .
O10N N4N O11N Pr3 6.5(6) . .
O15N N5N O13N Pr3 179.7(6) . .
O14N N5N O13N Pr3 0.9(6) . .
O15N N5N O14N Pr3 -179.7(6) . .
O13N N5N O14N Pr3 -0.9(6) . .
O17N N6N O18N Pr3 -172.2(5) . .
O16N N6N O18N Pr3 7.9(6) 3_766 .
C10 N4 Pr1 N1 91(11) . .
C14 N4 Pr1 N1 -78(11) . .
C10 N4 Pr1 N2 19.9(5) . .
C14 N4 Pr1 N2 -148.9(5) . .
C10 N4 Pr1 N3 -22.2(4) . .
C14 N4 Pr1 N3 169.0(5) . .
C10 N4 Pr1 N5 158.3(5) . .
C14 N4 Pr1 N5 -10.5(5) . .
C10 N4 Pr1 N6 -160.6(4) . .
C14 N4 Pr1 N6 30.6(5) . .
C10 N4 Pr1 N10 -117.5(5) . .
C14 N4 Pr1 N10 73.7(5) . .
C10 N4 Pr1 N8 -63.5(5) . .
C14 N4 Pr1 N8 127.7(5) . .
C10 N4 Pr1 N7 61.8(5) . .
C14 N4 Pr1 N7 -107.0(5) . .
C10 N4 Pr1 N9 116.1(5) . .
C14 N4 Pr1 N9 -52.7(5) . .
C1 N1 Pr1 N4 92(11) . .
C5 N1 Pr1 N4 -87(11) . .
C1 N1 Pr1 N2 163.6(5) . .
C5 N1 Pr1 N2 -15.8(5) . .
C1 N1 Pr1 N3 -155.2(4) . .
C5 N1 Pr1 N3 25.5(5) . .
C1 N1 Pr1 N5 25.2(5) . .
C5 N1 Pr1 N5 -154.2(5) . .
C1 N1 Pr1 N6 -16.7(4) . .
C5 N1 Pr1 N6 163.9(5) . .
C1 N1 Pr1 N10 -59.2(5) . .
C5 N1 Pr1 N10 121.4(5) . .
C1 N1 Pr1 N8 -113.3(5) . .
C5 N1 Pr1 N8 67.3(5) . .
C1 N1 Pr1 N7 121.2(5) . .
C5 N1 Pr1 N7 -58.2(5) . .
C1 N1 Pr1 N9 66.9(5) . .
C5 N1 Pr1 N9 -112.5(5) . .
C19 N2 Pr1 N4 91.4(4) . .
C6 N2 Pr1 N4 -149.4(4) . .
C7 N2 Pr1 N4 -27.8(5) . .
C19 N2 Pr1 N1 -87.6(4) . .
C6 N2 Pr1 N1 31.5(4) . .
C7 N2 Pr1 N1 153.2(4) . .
C19 N2 Pr1 N3 131.8(4) . .
C6 N2 Pr1 N3 -109.1(4) . .
C7 N2 Pr1 N3 12.6(4) . .
C19 N2 Pr1 N5 10.7(5) . .
C6 N2 Pr1 N5 129.9(4) . .
C7 N2 Pr1 N5 -108.5(4) . .
C19 N2 Pr1 N6 -88.0(4) . .
C6 N2 Pr1 N6 31.2(5) . .
C7 N2 Pr1 N6 152.8(4) . .
C19 N2 Pr1 N10 -172.3(4) . .
C6 N2 Pr1 N10 -53.2(5) . .
C7 N2 Pr1 N10 68.5(5) . .
C19 N2 Pr1 N8 -166.3(4) . .
C6 N2 Pr1 N8 -47.1(4) . .
C7 N2 Pr1 N8 74.5(4) . .
C19 N2 Pr1 N7 43.7(4) . .
C6 N2 Pr1 N7 162.8(4) . .
C7 N2 Pr1 N7 -75.6(4) . .
C19 N2 Pr1 N9 -16.1(4) . .
C6 N2 Pr1 N9 103.0(4) . .
C7 N2 Pr1 N9 -135.3(4) . .
C25 N3 Pr1 N4 -87.4(4) . .
C9 N3 Pr1 N4 31.9(4) . .
C8 N3 Pr1 N4 154.5(5) . .
C25 N3 Pr1 N1 93.6(4) . .
C9 N3 Pr1 N1 -147.1(4) . .
C8 N3 Pr1 N1 -24.6(5) . .
C25 N3 Pr1 N2 133.4(5) . .
C9 N3 Pr1 N2 -107.3(4) . .
C8 N3 Pr1 N2 15.3(4) . .
C25 N3 Pr1 N5 -86.9(4) . .
C9 N3 Pr1 N5 32.4(5) . .
C8 N3 Pr1 N5 155.0(4) . .
C25 N3 Pr1 N6 12.2(6) . .
C9 N3 Pr1 N6 131.5(4) . .
C8 N3 Pr1 N6 -105.9(4) . .
C25 N3 Pr1 N10 -13.7(4) . .
C9 N3 Pr1 N10 105.6(4) . .
C8 N3 Pr1 N10 -131.8(4) . .
C25 N3 Pr1 N8 45.2(4) . .
C9 N3 Pr1 N8 164.5(5) . .
C8 N3 Pr1 N8 -72.9(4) . .
C25 N3 Pr1 N7 -164.5(5) . .
C9 N3 Pr1 N7 -45.2(4) . .
C8 N3 Pr1 N7 77.4(4) . .
C25 N3 Pr1 N9 -170.8(4) . .
C9 N3 Pr1 N9 -51.5(5) . .
C8 N3 Pr1 N9 71.1(5) . .
C31 N5 Pr1 N4 -87.1(4) . .
C16 N5 Pr1 N4 153.1(5) . .
C15 N5 Pr1 N4 30.4(4) . .
C31 N5 Pr1 N1 92.0(4) . .
C16 N5 Pr1 N1 -27.9(5) . .
C15 N5 Pr1 N1 -150.5(4) . .
C31 N5 Pr1 N2 12.6(5) . .
C16 N5 Pr1 N2 -107.2(4) . .
C15 N5 Pr1 N2 130.2(4) . .
C31 N5 Pr1 N3 -87.6(4) . .
C16 N5 Pr1 N3 152.6(4) . .
C15 N5 Pr1 N3 29.9(5) . .
C31 N5 Pr1 N6 132.6(4) . .
C16 N5 Pr1 N6 12.8(4) . .
C15 N5 Pr1 N6 -109.8(4) . .
C31 N5 Pr1 N10 -165.4(4) . .
C16 N5 Pr1 N10 74.8(4) . .
C15 N5 Pr1 N10 -47.8(4) . .
C31 N5 Pr1 N8 -171.9(4) . .
C16 N5 Pr1 N8 68.2(5) . .
C15 N5 Pr1 N8 -54.4(5) . .
C31 N5 Pr1 N7 -15.4(4) . .
C16 N5 Pr1 N7 -135.2(4) . .
C15 N5 Pr1 N7 102.2(4) . .
C31 N5 Pr1 N9 44.3(4) . .
C16 N5 Pr1 N9 -75.5(4) . .
C15 N5 Pr1 N9 161.9(5) . .
C17 N6 Pr1 N4 -24.3(5) . .
C37 N6 Pr1 N4 96.6(4) . .
C18 N6 Pr1 N4 -148.5(4) . .
C17 N6 Pr1 N1 154.7(5) . .
C37 N6 Pr1 N1 -84.3(4) . .
C18 N6 Pr1 N1 30.5(4) . .
C17 N6 Pr1 N2 155.1(4) . .
C37 N6 Pr1 N2 -84.0(5) . .
C18 N6 Pr1 N2 30.9(5) . .
C17 N6 Pr1 N3 -104.3(5) . .
C37 N6 Pr1 N3 16.7(6) . .
C18 N6 Pr1 N3 131.6(4) . .
C17 N6 Pr1 N5 15.9(4) . .
C37 N6 Pr1 N5 136.8(5) . .
C18 N6 Pr1 N5 -108.3(4) . .
C17 N6 Pr1 N10 -73.9(4) . .
C37 N6 Pr1 N10 47.0(4) . .
C18 N6 Pr1 N10 161.9(5) . .
C17 N6 Pr1 N8 -132.2(4) . .
C37 N6 Pr1 N8 -11.3(5) . .
C18 N6 Pr1 N8 103.6(4) . .
C17 N6 Pr1 N7 70.8(5) . .
C37 N6 Pr1 N7 -168.3(4) . .
C18 N6 Pr1 N7 -53.4(5) . .
C17 N6 Pr1 N9 77.7(4) . .
C37 N6 Pr1 N9 -161.3(5) . .
C18 N6 Pr1 N9 -46.5(4) . .
C42 N10 Pr1 N4 29.0(7) . .
C38 N10 Pr1 N4 -169.1(5) . .
C42 N10 Pr1 N1 -151.5(7) . .
C38 N10 Pr1 N1 10.5(5) . .
C42 N10 Pr1 N2 -83.1(8) . .
C38 N10 Pr1 N2 78.8(6) . .
C42 N10 Pr1 N3 -33.4(7) . .
C38 N10 Pr1 N3 128.5(5) . .
C42 N10 Pr1 N5 95.0(7) . .
C38 N10 Pr1 N5 -103.1(5) . .
C42 N10 Pr1 N6 164.2(7) . .
C38 N10 Pr1 N6 -33.8(5) . .
C42 N10 Pr1 N8 -89.8(7) . .
C38 N10 Pr1 N8 72.2(5) . .
C42 N10 Pr1 N7 27.8(8) . .
C38 N10 Pr1 N7 -170.2(5) . .
C42 N10 Pr1 N9 127.9(6) . .
C38 N10 Pr1 N9 -70.1(6) . .
C30 N8 Pr1 N4 -153.3(6) . .
C26 N8 Pr1 N4 5.2(5) . .
C30 N8 Pr1 N1 27.1(6) . .
C26 N8 Pr1 N1 -174.4(5) . .
C30 N8 Pr1 N2 92.9(6) . .
C26 N8 Pr1 N2 -108.6(5) . .
C30 N8 Pr1 N3 163.6(7) . .
C26 N8 Pr1 N3 -37.8(4) . .
C30 N8 Pr1 N5 -84.3(7) . .
C26 N8 Pr1 N5 74.2(5) . .
C30 N8 Pr1 N6 -35.4(6) . .
C26 N8 Pr1 N6 123.1(5) . .
C30 N8 Pr1 N10 -91.6(6) . .
C26 N8 Pr1 N10 67.0(5) . .
C30 N8 Pr1 N7 125.9(6) . .
C26 N8 Pr1 N7 -75.6(5) . .
C30 N8 Pr1 N9 27.4(8) . .
C26 N8 Pr1 N9 -174.1(4) . .
C24 N7 Pr1 N4 27.4(5) . .
C20 N7 Pr1 N4 -169.9(5) . .
C24 N7 Pr1 N1 -152.1(5) . .
C20 N7 Pr1 N1 10.6(4) . .
C24 N7 Pr1 N2 163.4(6) . .
C20 N7 Pr1 N2 -33.9(4) . .
C24 N7 Pr1 N3 92.6(5) . .
C20 N7 Pr1 N3 -104.7(4) . .
C24 N7 Pr1 N5 -35.9(5) . .
C20 N7 Pr1 N5 126.9(4) . .
C24 N7 Pr1 N6 -84.4(6) . .
C20 N7 Pr1 N6 78.3(5) . .
C24 N7 Pr1 N10 28.6(7) . .
C20 N7 Pr1 N10 -168.7(4) . .
C24 N7 Pr1 N8 125.3(5) . .
C20 N7 Pr1 N8 -72.0(5) . .
C24 N7 Pr1 N9 -91.9(5) . .
C20 N7 Pr1 N9 70.8(4) . .
C36 N9 Pr1 N4 -150.2(6) . .
C32 N9 Pr1 N4 7.0(5) . .
C36 N9 Pr1 N1 29.4(5) . .
C32 N9 Pr1 N1 -173.4(5) . .
C36 N9 Pr1 N2 -33.4(6) . .
C32 N9 Pr1 N2 123.8(5) . .
C36 N9 Pr1 N3 -83.0(6) . .
C32 N9 Pr1 N3 74.2(5) . .
C36 N9 Pr1 N5 165.2(6) . .
C32 N9 Pr1 N5 -37.7(4) . .
C36 N9 Pr1 N6 95.2(6) . .
C32 N9 Pr1 N6 -107.7(5) . .
C36 N9 Pr1 N10 126.8(6) . .
C32 N9 Pr1 N10 -76.0(5) . .
C36 N9 Pr1 N8 29.2(7) . .
C32 N9 Pr1 N8 -173.7(4) . .
C36 N9 Pr1 N7 -89.9(6) . .
C32 N9 Pr1 N7 67.3(4) . .
N2N O5N Pr2 O5N 83(15) . 3_655
N2N O5N Pr2 O1N -77.9(4) . .
N2N O5N Pr2 O1N 102.1(4) . 3_655
N2N O5N Pr2 O7N -150.6(4) . .
N2N O5N Pr2 O7N 29.4(4) . 3_655
N2N O5N Pr2 O9N 156.5(4) . 3_655
N2N O5N Pr2 O9N -23.5(4) . .
N2N O5N Pr2 O4N -179.3(3) . 3_655
N2N O5N Pr2 O4N 0.7(3) . .
N2N O5N Pr2 O2N -98.2(4) . .
N2N O5N Pr2 O2N 81.8(4) . 3_655
N1N O1N Pr2 O5N -151.0(4) . .
N1N O1N Pr2 O5N 29.0(4) . 3_655
N1N O1N Pr2 O1N -41(100) . 3_655
N1N O1N Pr2 O7N -74.1(4) . .
N1N O1N Pr2 O7N 105.9(4) . 3_655
N1N O1N Pr2 O9N -99.6(4) . 3_655
N1N O1N Pr2 O9N 80.4(4) . .
N1N O1N Pr2 O4N -24.5(4) . 3_655
N1N O1N Pr2 O4N 155.5(4) . .
N1N O1N Pr2 O2N 3.8(3) . .
N1N O1N Pr2 O2N -176.2(3) . 3_655
N3N O7N Pr2 O5N -74.8(4) 3_655 .
N3N O7N Pr2 O5N 105.2(4) 3_655 3_655
N3N O7N Pr2 O1N -147.4(4) 3_655 .
N3N O7N Pr2 O1N 32.6(4) 3_655 3_655
N3N O7N Pr2 O7N 7(100) 3_655 3_655
N3N O7N Pr2 O9N -0.2(4) 3_655 3_655
N3N O7N Pr2 O9N 179.8(4) 3_655 .
N3N O7N Pr2 O4N 82.0(4) 3_655 3_655
N3N O7N Pr2 O4N -98.0(4) 3_655 .
N3N O7N Pr2 O2N 158.8(4) 3_655 .
N3N O7N Pr2 O2N -21.2(4) 3_655 3_655
N3N O9N Pr2 O5N 95.8(4) . .
N3N O9N Pr2 O5N -84.2(4) . 3_655
N3N O9N Pr2 O1N 148.0(4) . .
N3N O9N Pr2 O1N -32.0(4) . 3_655
N3N O9N Pr2 O7N 179.8(4) . .
N3N O9N Pr2 O7N -0.2(4) . 3_655
N3N O9N Pr2 O9N -30(100) . 3_655
N3N O9N Pr2 O4N -103.4(4) . 3_655
N3N O9N Pr2 O4N 76.6(4) . .
N3N O9N Pr2 O2N -159.5(4) . .
N3N O9N Pr2 O2N 20.5(4) . 3_655
N2N O4N Pr2 O5N -0.6(3) . .
N2N O4N Pr2 O5N 179.4(3) . 3_655
N2N O4N Pr2 O1N 78.3(4) . .
N2N O4N Pr2 O1N -101.7(4) . 3_655
N2N O4N Pr2 O7N 28.7(4) . .
N2N O4N Pr2 O7N -151.3(4) . 3_655
N2N O4N Pr2 O9N -24.1(4) . 3_655
N2N O4N Pr2 O9N 155.9(4) . .
N2N O4N Pr2 O4N -58(100) . 3_655
N2N O4N Pr2 O2N 100.8(4) . .
N2N O4N Pr2 O2N -79.2(4) . 3_655
N1N O2N Pr2 O5N 21.2(4) . .
N1N O2N Pr2 O5N -158.8(4) . 3_655
N1N O2N Pr2 O1N -3.8(3) . .
N1N O2N Pr2 O1N 176.2(3) . 3_655
N1N O2N Pr2 O7N 75.5(4) . .
N1N O2N Pr2 O7N -104.5(4) . 3_655
N1N O2N Pr2 O9N 92.5(4) . 3_655
N1N O2N Pr2 O9N -87.5(4) . .
N1N O2N Pr2 O4N 148.5(4) . 3_655
N1N O2N Pr2 O4N -31.5(4) . .
N1N O2N Pr2 O2N 143(100) . 3_655
N4N O10N Pr3 O10N -147(20) . 3_766
N4N O10N Pr3 O16N -24.8(4) . 3_766
N4N O10N Pr3 O16N 155.2(4) . .
N4N O10N Pr3 O11N 3.9(4) . .
N4N O10N Pr3 O11N -176.1(4) . 3_766
N4N O10N Pr3 O18N 29.7(4) . .
N4N O10N Pr3 O18N -150.3(4) . 3_766
N4N O10N Pr3 O14N -74.0(4) . 3_766
N4N O10N Pr3 O14N 106.0(4) . .
N4N O10N Pr3 O13N -98.5(4) . 3_766
N4N O10N Pr3 O13N 81.5(4) . .
N6N O16N Pr3 O10N 72.8(4) 3_766 .
N6N O16N Pr3 O10N -107.2(4) 3_766 3_766
N6N O16N Pr3 O16N -97(100) 3_766 3_766
N6N O16N Pr3 O11N 95.5(4) 3_766 .
N6N O16N Pr3 O11N -84.5(4) 3_766 3_766
N6N O16N Pr3 O18N 175.4(3) 3_766 .
N6N O16N Pr3 O18N -4.6(3) 3_766 3_766
N6N O16N Pr3 O14N 22.5(4) 3_766 3_766
N6N O16N Pr3 O14N -157.5(4) 3_766 .
N6N O16N Pr3 O13N -30.1(4) 3_766 3_766
N6N O16N Pr3 O13N 149.9(4) 3_766 .
N4N O11N Pr3 O10N -3.8(4) . .
N4N O11N Pr3 O10N 176.2(4) . 3_766
N4N O11N Pr3 O16N 148.6(4) . 3_766
N4N O11N Pr3 O16N -31.4(4) . .
N4N O11N Pr3 O11N 27(54) . 3_766
N4N O11N Pr3 O18N -158.9(4) . .
N4N O11N Pr3 O18N 21.1(4) . 3_766
N4N O11N Pr3 O14N 76.8(4) . 3_766
N4N O11N Pr3 O14N -103.2(4) . .
N4N O11N Pr3 O13N 94.4(4) . 3_766
N4N O11N Pr3 O13N -85.6(4) . .
N6N O18N Pr3 O10N -106.2(4) . .
N6N O18N Pr3 O10N 73.8(4) . 3_766
N6N O18N Pr3 O16N -4.6(3) . 3_766
N6N O18N Pr3 O16N 175.4(3) . .
N6N O18N Pr3 O11N -85.7(4) . .
N6N O18N Pr3 O11N 94.3(4) . 3_766
N6N O18N Pr3 O18N -108(25) . 3_766
N6N O18N Pr3 O14N -31.1(4) . 3_766
N6N O18N Pr3 O14N 148.9(4) . .
N6N O18N Pr3 O13N 20.9(4) . 3_766
N6N O18N Pr3 O13N -159.1(4) . .
N5N O14N Pr3 O10N -30.9(4) . .
N5N O14N Pr3 O10N 149.1(4) . 3_766
N5N O14N Pr3 O16N 100.3(4) . 3_766
N5N O14N Pr3 O16N -79.7(4) . .
N5N O14N Pr3 O11N 22.6(4) . .
N5N O14N Pr3 O11N -157.4(4) . 3_766
N5N O14N Pr3 O18N 78.6(4) . .
N5N O14N Pr3 O18N -101.4(4) . 3_766
N5N O14N Pr3 O14N -100(100) . 3_766
N5N O14N Pr3 O13N -179.5(3) . 3_766
N5N O14N Pr3 O13N 0.5(3) . .
N5N O13N Pr3 O10N 148.3(4) . .
N5N O13N Pr3 O10N -31.7(4) . 3_766
N5N O13N Pr3 O16N -102.8(4) . 3_766
N5N O13N Pr3 O16N 77.2(4) . .
N5N O13N Pr3 O11N -158.6(4) . .
N5N O13N Pr3 O11N 21.4(4) . 3_766
N5N O13N Pr3 O18N -82.2(4) . .
N5N O13N Pr3 O18N 97.8(4) . 3_766
N5N O13N Pr3 O14N 179.5(3) . 3_766
N5N O13N Pr3 O14N -0.5(3) . .
N5N O13N Pr3 O13N 31(100) . 3_766
