#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/88/1508893.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1508893
loop_
_publ_author_name
'Izzo, Irene'
'Ianniello, Graziella'
'De Cola, Chiara'
'Nardone, Brunello'
'Erra, Loredana'
'Vaughan, Gavin'
'Tedesco, Consiglia'
'De Riccardis, Francesco'
_publ_section_title
;
 Structural effects of proline substitution and metal binding on hexameric
 cyclic peptoids.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              598
_journal_page_last               601
_journal_paper_doi               10.1021/ol3034143
_journal_volume                  15
_journal_year                    2013
_chemical_absolute_configuration syn
_chemical_formula_moiety         'Na4 C92 H147 N19 O27 4+, 4(PF6-), 3(C2H3N)'
_chemical_formula_sum            'C98 H156 F24 N22 Na4 O27 P4'
_chemical_formula_weight         2746.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   16.382(5)
_cell_length_b                   16.382(5)
_cell_length_c                   39.89(2)
_cell_measurement_reflns_used    11518
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      12.55
_cell_measurement_theta_min      1.05
_cell_volume                     9271(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-2002 (Burla et al.,2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_radiation_source         synchrotron
_diffrn_radiation_wavelength     0.30060
_diffrn_reflns_av_R_equivalents  0.0858
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            30670
_diffrn_reflns_theta_full        12.55
_diffrn_reflns_theta_max         12.55
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    0.016
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             4302
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.141
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.8(3)
_refine_ls_extinction_coef       2.07(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   2.290
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         11518
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      2.289
_refine_ls_R_factor_all          0.1481
_refine_ls_R_factor_gt           0.1436
_refine_ls_shift/su_max          0.147
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4399
_refine_ls_wR_factor_ref         0.4850
_reflns_number_gt                10356
_reflns_number_total             11518
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol3034143_si_001.cif
_cod_data_source_block           new16
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               1508893
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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
P1 P 0.3333 -0.3333 0.40531(10) 0.1067(9) Uiso 1 3 d S
P2 P 0.21251(16) -0.10343(15) 0.58258(5) 0.1011(5) Uiso 1 1 d .
F1 F 0.4268(13) -0.2831(13) 0.3858(4) 0.210(5) Uiso 1 1 d .
F2 F 0.2361(15) -0.3787(14) 0.4211(4) 0.225(6) Uiso 1 1 d .
F3 F 0.2702(12) -0.1624(12) 0.5786(4) 0.134(4) Uiso 0.50 1 d P
F4 F 0.3239(12) -0.0153(12) 0.5820(4) 0.132(4) Uiso 0.50 1 d P
F5 F 0.1981(17) -0.0146(15) 0.5871(6) 0.149(5) Uiso 0.50 1 d P
F6 F 0.1707(16) -0.0933(15) 0.5479(5) 0.151(5) Uiso 0.50 1 d P
F7 F 0.1336(16) -0.2016(15) 0.5766(5) 0.150(5) Uiso 0.50 1 d P
F8 F 0.2437(8) -0.1068(8) 0.6215(3) 0.109(2) Uiso 0.50 1 d P
F10 F 0.1077(17) -0.1397(17) 0.5989(6) 0.167(6) Uiso 0.50 1 d P
F9 F 0.3033(15) -0.0670(16) 0.5685(5) 0.152(5) Uiso 0.50 1 d P
F11 F 0.156(4) -0.065(5) 0.5676(17) 0.276(19) Uiso 0.50 1 d P
F12 F 0.2519(19) 0.0009(16) 0.5927(5) 0.157(5) Uiso 0.50 1 d P
F13 F 0.2300(19) -0.0847(17) 0.5443(6) 0.162(6) Uiso 0.50 1 d P
F14 F 0.191(2) -0.2015(19) 0.5774(7) 0.171(7) Uiso 0.50 1 d P
Na1 Na 0.6667 0.3333 0.80040(18) 0.1016(13) Uani 1 3 d S
Na2 Na 0.6667 0.3333 0.69645(6) 0.0683(6) Uani 1 3 d S
Na3 Na 0.6667 0.3333 0.57842(7) 0.0724(7) Uani 1 3 d S
Na4 Na 0.6667 0.3333 0.49690(8) 0.0729(7) Uani 1 3 d S
O1 O 0.6641(3) 0.1962(3) 0.79218(9) 0.0807(8) Uani 1 1 d .
O2 O 0.7844(3) 0.3346(3) 0.73371(10) 0.0807(8) Uani 1 1 d .
O3 O 0.5435(3) -0.1203(3) 0.74425(12) 0.0859(9) Uani 1 1 d .
O4 O 0.6507(3) 0.1953(3) 0.66592(8) 0.0754(7) Uani 1 1 d .
O5 O 0.7782(2) 0.3134(3) 0.60566(8) 0.0760(7) Uani 1 1 d .
O6 O 0.5185(3) -0.1126(3) 0.63996(14) 0.0934(10) Uani 1 1 d .
O7 O 0.6431(2) 0.2033(2) 0.53513(8) 0.0717(7) Uani 1 1 d .
O8 O 0.7769(2) 0.3003(2) 0.47806(7) 0.0710(6) Uani 1 1 d .
O9 O 0.5001(4) -0.1089(3) 0.5138(2) 0.118(2) Uani 1 1 d .
N1 N 0.5744(3) 0.0763(2) 0.75749(9) 0.0711(7) Uani 1 1 d .
N2 N 0.8285(3) 0.2462(3) 0.76262(12) 0.0789(9) Uani 1 1 d .
N3 N 0.5541(3) 0.0785(2) 0.63179(10) 0.0711(7) Uani 1 1 d .
N4 N 0.8096(3) 0.2206(3) 0.63751(9) 0.0717(7) Uani 1 1 d .
N5 N 0.5387(3) 0.0811(2) 0.50532(10) 0.0705(7) Uani 1 1 d .
N6 N 0.7955(2) 0.2026(2) 0.51273(8) 0.0682(7) Uani 1 1 d .
N7 N 0.3039(9) -0.0496(7) 0.7174(6) 0.190(8) Uani 1 1 d .
C1 C 0.6586(3) 0.1455(3) 0.76815(10) 0.0698(7) Uani 1 1 d .
C2 C 0.9200(3) 0.4147(3) 0.76952(11) 0.0740(8) Uani 1 1 d .
H2A H 0.9126 0.4112 0.7942 0.089 Uiso 1 1 calc R
H2B H 0.9797 0.4162 0.7641 0.089 Uiso 1 1 calc R
C3 C 0.5610(5) 0.0252(4) 0.72617(13) 0.0848(11) Uani 1 1 d .
H3A H 0.6232 0.0376 0.7179 0.102 Uiso 1 1 calc R
H3B H 0.5347 0.0498 0.7092 0.102 Uiso 1 1 calc R
C4 C 0.4971(4) -0.0791(4) 0.72918(15) 0.0832(10) Uani 1 1 d .
H4A H 0.4411 -0.0923 0.7427 0.100 Uiso 1 1 calc R
H4B H 0.4753 -0.1067 0.7066 0.100 Uiso 1 1 calc R
C5 C 0.4855(5) -0.2180(4) 0.74719(15) 0.0884(12) Uani 1 1 d .
H5A H 0.5207 -0.2447 0.7580 0.133 Uiso 1 1 calc R
H5B H 0.4650 -0.2457 0.7249 0.133 Uiso 1 1 calc R
H5C H 0.4302 -0.2320 0.7608 0.133 Uiso 1 1 calc R
C6 C 0.8370(3) 0.3274(3) 0.75343(11) 0.0731(8) Uani 1 1 d .
C7 C 0.7479(4) 0.1594(3) 0.75117(14) 0.0804(10) Uani 1 1 d .
H7 H 0.7416 0.1610 0.7263 0.097 Uiso 1 1 calc R
C8 C 0.8856(5) 0.2300(6) 0.7872(2) 0.105(2) Uani 1 1 d .
H8A H 0.9518 0.2588 0.7796 0.126 Uiso 1 1 calc R
H8B H 0.8842 0.2568 0.8093 0.126 Uiso 1 1 calc R
C9 C 0.8419(9) 0.1285(8) 0.7890(3) 0.129(3) Uani 1 1 d .
H9A H 0.8076 0.1054 0.8105 0.155 Uiso 1 1 calc R
H9B H 0.8906 0.1097 0.7878 0.155 Uiso 1 1 calc R
C10 C 0.7756(7) 0.0877(5) 0.7605(3) 0.114(3) Uani 1 1 d .
H10A H 0.7195 0.0275 0.7671 0.137 Uiso 1 1 calc R
H10B H 0.8065 0.0756 0.7413 0.137 Uiso 1 1 calc R
C11 C 0.6398(3) 0.1411(3) 0.64305(9) 0.0658(7) Uani 1 1 d .
C12 C 0.9094(4) 0.3868(4) 0.64279(13) 0.0804(10) Uani 1 1 d .
H12A H 0.9006 0.3819 0.6674 0.096 Uiso 1 1 calc R
H12B H 0.9673 0.3845 0.6377 0.096 Uiso 1 1 calc R
C13 C 0.5334(5) 0.0121(4) 0.60427(14) 0.0876(12) Uani 1 1 d .
H13A H 0.5932 0.0205 0.5950 0.105 Uiso 1 1 calc R
H13B H 0.5002 0.0253 0.5862 0.105 Uiso 1 1 calc R
C14 C 0.4713(5) -0.0911(4) 0.61642(17) 0.0906(13) Uani 1 1 d .
H14A H 0.4121 -0.0994 0.6262 0.109 Uiso 1 1 calc R
H14B H 0.4547 -0.1346 0.5971 0.109 Uiso 1 1 calc R
C15 C 0.4756(8) -0.2077(6) 0.6465(3) 0.113(2) Uani 1 1 d .
H15A H 0.5111 -0.2190 0.6639 0.170 Uiso 1 1 calc R
H15B H 0.4741 -0.2414 0.6260 0.170 Uiso 1 1 calc R
H15C H 0.4110 -0.2304 0.6543 0.170 Uiso 1 1 calc R
C16 C 0.8266(3) 0.3042(3) 0.62648(8) 0.0660(7) Uani 1 1 d .
C17 C 0.7235(3) 0.1368(3) 0.62842(11) 0.0709(7) Uani 1 1 d .
H17 H 0.7178 0.1306 0.6035 0.085 Uiso 1 1 calc R
C18 C 0.8683(4) 0.2007(4) 0.65937(16) 0.0870(11) Uani 1 1 d .
H18A H 0.8563 0.2079 0.6832 0.104 Uiso 1 1 calc R
H18B H 0.9359 0.2431 0.6544 0.104 Uiso 1 1 calc R
C19 C 0.8397(6) 0.1022(5) 0.6517(2) 0.1013(17) Uani 1 1 d .
H19A H 0.8503 0.0714 0.6712 0.122 Uiso 1 1 calc R
H19B H 0.8755 0.0987 0.6323 0.122 Uiso 1 1 calc R
C20 C 0.7360(6) 0.0561(5) 0.6435(3) 0.104(2) Uani 1 1 d .
H20A H 0.6974 0.0302 0.6640 0.125 Uiso 1 1 calc R
H20B H 0.7176 0.0045 0.6271 0.125 Uiso 1 1 calc R
C21 C 0.6260(2) 0.1392(2) 0.51568(8) 0.0624(6) Uani 1 1 d .
C22 C 0.9037(3) 0.3688(3) 0.51783(13) 0.0746(9) Uani 1 1 d .
H22A H 0.8924 0.3654 0.5423 0.089 Uiso 1 1 calc R
H22B H 0.9608 0.3640 0.5139 0.089 Uiso 1 1 calc R
C23 C 0.5115(4) 0.0099(4) 0.47849(14) 0.0817(10) Uani 1 1 d .
H23A H 0.5690 0.0142 0.4686 0.098 Uiso 1 1 calc R
H23B H 0.4779 0.0231 0.4606 0.098 Uiso 1 1 calc R
C24 C 0.4483(5) -0.0891(5) 0.4920(3) 0.104(2) Uani 1 1 d .
H24A H 0.3932 -0.0928 0.5036 0.125 Uiso 1 1 calc R
H24B H 0.4252 -0.1352 0.4733 0.125 Uiso 1 1 calc R
C25 C 0.4498(7) -0.2024(7) 0.5244(4) 0.127(3) Uani 1 1 d .
H25A H 0.4881 -0.2146 0.5403 0.190 Uiso 1 1 calc R
H25B H 0.4343 -0.2443 0.5050 0.190 Uiso 1 1 calc R
H25C H 0.3914 -0.2140 0.5354 0.190 Uiso 1 1 calc R
C26 C 0.8195(2) 0.2868(2) 0.50061(9) 0.0648(7) Uani 1 1 d .
C27 C 0.7055(3) 0.1233(3) 0.50374(9) 0.0686(7) Uani 1 1 d .
H27 H 0.7011 0.1095 0.4792 0.082 Uiso 1 1 calc R
C28 C 0.8456(3) 0.1827(4) 0.53877(13) 0.0773(9) Uani 1 1 d .
H28A H 0.8325 0.1990 0.5613 0.093 Uiso 1 1 calc R
H28B H 0.9145 0.2174 0.5348 0.093 Uiso 1 1 calc R
C29 C 0.8048(4) 0.0772(4) 0.53504(16) 0.0861(11) Uani 1 1 d .
H29A H 0.8384 0.0630 0.5174 0.103 Uiso 1 1 calc R
H29B H 0.8089 0.0487 0.5564 0.103 Uiso 1 1 calc R
C30 C 0.7038(4) 0.0414(4) 0.52536(19) 0.0886(12) Uani 1 1 d .
H30A H 0.6639 0.0285 0.5455 0.106 Uiso 1 1 calc R
H30B H 0.6789 -0.0172 0.5120 0.106 Uiso 1 1 calc R
C31 C 0.2296(7) -0.0875(6) 0.7071(3) 0.109(2) Uani 1 1 d .
C32 C 0.1365(9) -0.1317(14) 0.6935(3) 0.140(4) Uani 1 1 d .
H32A H 0.1106 -0.0895 0.6960 0.210 Uiso 1 1 calc R
H32B H 0.0965 -0.1907 0.7055 0.210 Uiso 1 1 calc R
H32C H 0.1386 -0.1452 0.6697 0.210 Uiso 1 1 calc R
N100 N 0.6667 0.3333 0.8614(4) 0.150(7) Uani 1 3 d S
C101 C 0.6667 0.3333 0.8869(7) 0.131(5) Uani 1 3 d S
C102 C 0.6667 0.3333 0.9261(8) 0.145(7) Uani 1 3 d S
H10C H 0.6558 0.3835 0.9343 0.217 Uiso 0.33 1 calc PR
H10D H 0.7277 0.3442 0.9343 0.217 Uiso 0.33 1 calc PR
H10E H 0.6165 0.2723 0.9343 0.217 Uiso 0.33 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0015 0.0009 '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 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0096 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0218 0.0150 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0667 0.0580 '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
F2 P1 F2 103.9(8) . 3_655
F2 P1 F2 103.9(8) . 2_545
F2 P1 F2 103.9(8) 3_655 2_545
F2 P1 F1 82.8(9) . 3_655
F2 P1 F1 172.8(10) 3_655 3_655
F2 P1 F1 76.4(9) 2_545 3_655
F2 P1 F1 76.3(9) . 2_545
F2 P1 F1 82.8(9) 3_655 2_545
F2 P1 F1 172.8(10) 2_545 2_545
F1 P1 F1 96.6(8) 3_655 2_545
F2 P1 F1 172.8(10) . .
F2 P1 F1 76.4(9) 3_655 .
F2 P1 F1 82.8(9) 2_545 .
F1 P1 F1 96.7(8) 3_655 .
F1 P1 F1 96.7(8) 2_545 .
F9 P2 F14 91.9(15) . .
F9 P2 F12 82.5(13) . .
F14 P2 F12 168.1(15) . .
F9 P2 F7 123.5(13) . .
F14 P2 F7 36.7(11) . .
F12 P2 F7 152.6(13) . .
F9 P2 F6 91.5(12) . .
F14 P2 F6 96.3(13) . .
F12 P2 F6 94.4(12) . .
F7 P2 F6 77.8(12) . .
F9 P2 F5 105.3(12) . .
F14 P2 F5 160.5(15) . .
F12 P2 F5 30.1(9) . .
F7 P2 F5 123.8(13) . .
F6 P2 F5 74.6(12) . .
F9 P2 F11 114(3) . .
F14 P2 F11 123(3) . .
F12 P2 F11 69(3) . .
F7 P2 F11 90(3) . .
F6 P2 F11 38(3) . .
F5 P2 F11 41(3) . .
F9 P2 F13 58.3(13) . .
F14 P2 F13 89.8(14) . .
F12 P2 F13 96.1(12) . .
F7 P2 F13 91.8(12) . .
F6 P2 F13 34.0(10) . .
F5 P2 F13 91.6(12) . .
F11 P2 F13 67(3) . .
F9 P2 F8 96.4(9) . .
F14 P2 F8 90.3(12) . .
F12 P2 F8 79.9(10) . .
F7 P2 F8 103.3(9) . .
F6 P2 F8 169.5(10) . .
F5 P2 F8 96.6(9) . .
F11 P2 F8 132(3) . .
F13 P2 F8 154.7(11) . .
F9 P2 F10 176.8(12) . .
F14 P2 F10 91.3(15) . .
F12 P2 F10 94.5(12) . .
F7 P2 F10 59.3(12) . .
F6 P2 F10 87.5(12) . .
F5 P2 F10 71.4(12) . .
F11 P2 F10 63(3) . .
F13 P2 F10 121.1(13) . .
F8 P2 F10 84.2(9) . .
F9 P2 F4 33.3(9) . .
F14 P2 F4 120.3(14) . .
F12 P2 F4 51.4(11) . .
F7 P2 F4 155.8(11) . .
F6 P2 F4 103.8(10) . .
F5 P2 F4 79.0(10) . .
F11 P2 F4 106(3) . .
F13 P2 F4 78.5(11) . .
F8 P2 F4 79.6(7) . .
F10 P2 F4 144.2(10) . .
F9 P2 F3 54.8(11) . .
F14 P2 F3 41.6(12) . .
F12 P2 F3 128.4(11) . .
F7 P2 F3 78.2(11) . .
F6 P2 F3 112.1(10) . .
F5 P2 F3 157.9(11) . .
F11 P2 F3 150(3) . .
F13 P2 F3 85.3(11) . .
F8 P2 F3 78.1(7) . .
F10 P2 F3 128.5(11) . .
F4 P2 F3 78.9(9) . .
F14 F3 F9 108(2) . .
F14 F3 P2 60.3(17) . .
F9 F3 P2 53.7(10) . .
F9 F4 F12 114(2) . .
F9 F4 P2 57.9(17) . .
F12 F4 P2 59.9(12) . .
F12 F5 F11 127(5) . .
F12 F5 P2 72(2) . .
F11 F5 P2 63(3) . .
F11 F6 F13 122(5) . .
F11 F6 P2 65(4) . .
F13 F6 P2 71(2) . .
F14 F7 P2 71(2) . .
F14 F7 F10 125(3) . .
P2 F7 F10 65.1(13) . .
F7 F10 P2 55.5(12) . .
F4 F9 F13 117(2) . .
F4 F9 F3 127(2) . .
F13 F9 F3 98.4(18) . .
F4 F9 P2 89(2) . .
F13 F9 P2 65.8(13) . .
F3 F9 P2 71.5(12) . .
F6 F11 F5 135(7) . .
F6 F11 F13 28(3) . .
F5 F11 F13 107(5) . .
F6 F11 P2 77(4) . .
F5 F11 P2 75(4) . .
F13 F11 P2 59(2) . .
F5 F12 F4 137(3) . .
F5 F12 P2 78(2) . .
F4 F12 P2 68.7(12) . .
F6 F13 F9 129(3) . .
F6 F13 F11 30(3) . .
F9 F13 F11 101(3) . .
F6 F13 P2 75(2) . .
F9 F13 P2 56.0(11) . .
F11 F13 P2 54(2) . .
F7 F14 F3 151(4) . .
F7 F14 P2 73(2) . .
F3 F14 P2 78.1(18) . .
O1 Na1 O1 117.91(10) 3_665 2_655
O1 Na1 O1 117.91(10) 3_665 .
O1 Na1 O1 117.91(10) 2_655 .
O1 Na1 N100 98.4(2) 3_665 .
O1 Na1 N100 98.4(2) 2_655 .
O1 Na1 N100 98.4(2) . .
O1 Na1 Na2 81.6(2) 3_665 .
O1 Na1 Na2 81.6(2) 2_655 .
O1 Na1 Na2 81.6(2) . .
N100 Na1 Na2 180.000(3) . .
O2 Na2 O2 86.41(17) 2_655 3_665
O2 Na2 O2 86.41(17) 2_655 .
O2 Na2 O2 86.41(17) 3_665 .
O2 Na2 O4 170.18(16) 2_655 .
O2 Na2 O4 83.85(12) 3_665 .
O2 Na2 O4 91.72(13) . .
O2 Na2 O4 91.72(13) 2_655 2_655
O2 Na2 O4 170.18(16) 3_665 2_655
O2 Na2 O4 83.85(12) . 2_655
O4 Na2 O4 97.67(13) . 2_655
O2 Na2 O4 83.85(12) 2_655 3_665
O2 Na2 O4 91.72(13) 3_665 3_665
O2 Na2 O4 170.17(16) . 3_665
O4 Na2 O4 97.68(13) . 3_665
O4 Na2 O4 97.68(13) 2_655 3_665
O2 Na2 Na1 52.23(12) 2_655 .
O2 Na2 Na1 52.23(12) 3_665 .
O2 Na2 Na1 52.23(12) . .
O4 Na2 Na1 119.62(10) . .
O4 Na2 Na1 119.62(10) 2_655 .
O4 Na2 Na1 119.62(10) 3_665 .
O5 Na3 O5 99.24(14) . 2_655
O5 Na3 O5 99.25(14) . 3_665
O5 Na3 O5 99.25(14) 2_655 3_665
O5 Na3 O7 167.02(16) . 3_665
O5 Na3 O7 88.09(12) 2_655 3_665
O5 Na3 O7 90.05(12) 3_665 3_665
O5 Na3 O7 88.09(12) . 2_655
O5 Na3 O7 90.05(12) 2_655 2_655
O5 Na3 O7 167.02(16) 3_665 2_655
O7 Na3 O7 81.16(14) 3_665 2_655
O5 Na3 O7 90.05(12) . .
O5 Na3 O7 167.02(16) 2_655 .
O5 Na3 O7 88.09(12) 3_665 .
O7 Na3 O7 81.16(14) 3_665 .
O7 Na3 O7 81.17(14) 2_655 .
O5 Na3 Na4 118.40(11) . .
O5 Na3 Na4 118.40(11) 2_655 .
O5 Na3 Na4 118.40(11) 3_665 .
O7 Na3 Na4 48.69(9) 3_665 .
O7 Na3 Na4 48.69(9) 2_655 .
O7 Na3 Na4 48.69(9) . .
O8 Na4 O8 109.51(11) . 2_655
O8 Na4 O8 109.51(11) . 3_665
O8 Na4 O8 109.51(11) 2_655 3_665
O8 Na4 O7 161.44(17) . 3_665
O8 Na4 O7 82.24(11) 2_655 3_665
O8 Na4 O7 78.40(11) 3_665 3_665
O8 Na4 O7 78.40(11) . .
O8 Na4 O7 161.45(17) 2_655 .
O8 Na4 O7 82.24(11) 3_665 .
O7 Na4 O7 86.35(13) 3_665 .
O8 Na4 O7 82.24(11) . 2_655
O8 Na4 O7 78.40(11) 2_655 2_655
O8 Na4 O7 161.45(17) 3_665 2_655
O7 Na4 O7 86.35(13) 3_665 2_655
O7 Na4 O7 86.35(13) . 2_655
O8 Na4 C26 119.34(12) . 3_665
O8 Na4 C26 119.02(12) 2_655 3_665
O8 Na4 C26 22.30(10) 3_665 3_665
O7 Na4 C26 62.51(10) 3_665 3_665
O7 Na4 C26 67.19(11) . 3_665
O7 Na4 C26 139.22(16) 2_655 3_665
O8 Na4 C26 119.02(12) . 2_655
O8 Na4 C26 22.30(10) 2_655 2_655
O8 Na4 C26 119.34(11) 3_665 2_655
O7 Na4 C26 67.19(11) 3_665 2_655
O7 Na4 C26 139.22(16) . 2_655
O7 Na4 C26 62.51(10) 2_655 2_655
C26 Na4 C26 119.751(17) 3_665 2_655
O8 Na4 C26 22.30(10) . .
O8 Na4 C26 119.34(12) 2_655 .
O8 Na4 C26 119.02(12) 3_665 .
O7 Na4 C26 139.22(16) 3_665 .
O7 Na4 C26 62.51(10) . .
O7 Na4 C26 67.19(11) 2_655 .
C26 Na4 C26 119.752(17) 3_665 .
C26 Na4 C26 119.753(18) 2_655 .
O8 Na4 C21 69.16(11) . 2_655
O8 Na4 C21 66.98(11) 2_655 2_655
O8 Na4 C21 174.87(17) 3_665 2_655
O7 Na4 C21 104.39(12) 3_665 2_655
O7 Na4 C21 102.14(12) . 2_655
O7 Na4 C21 23.40(9) 2_655 2_655
C26 Na4 C21 162.62(16) 3_665 2_655
C26 Na4 C21 58.86(10) 2_655 2_655
C26 Na4 C21 61.66(10) . 2_655
O8 Na4 C21 66.98(11) . .
O8 Na4 C21 174.87(17) 2_655 .
O8 Na4 C21 69.16(11) 3_665 .
O7 Na4 C21 102.13(12) 3_665 .
O7 Na4 C21 23.40(9) . .
O7 Na4 C21 104.39(12) 2_655 .
C26 Na4 C21 61.66(10) 3_665 .
C26 Na4 C21 162.62(16) 2_655 .
C26 Na4 C21 58.86(10) . .
C21 Na4 C21 113.99(7) 2_655 .
O8 Na4 C21 174.87(17) . 3_665
O8 Na4 C21 69.16(11) 2_655 3_665
O8 Na4 C21 66.98(11) 3_665 3_665
O7 Na4 C21 23.40(9) 3_665 3_665
O7 Na4 C21 104.39(12) . 3_665
O7 Na4 C21 102.13(12) 2_655 3_665
C26 Na4 C21 58.86(10) 3_665 3_665
C26 Na4 C21 61.66(10) 2_655 3_665
C26 Na4 C21 162.62(16) . 3_665
C21 Na4 C21 113.99(7) 2_655 3_665
C21 Na4 C21 113.99(7) . 3_665
C1 O1 Na1 137.7(4) . .
C6 O2 Na2 174.1(3) . .
C4 O3 C5 111.8(5) . .
C11 O4 Na2 161.0(3) . .
C16 O5 Na3 165.0(3) . .
C14 O6 C15 112.7(6) . .
C21 O7 Na4 102.6(2) . .
C21 O7 Na3 175.7(3) . .
Na4 O7 Na3 79.12(12) . .
C26 O8 Na4 113.2(3) . .
C24 O9 C25 111.1(7) . .
C1 N1 C2 115.8(4) . 3_665
C1 N1 C3 123.5(4) . .
C2 N1 C3 115.8(4) 3_665 .
C6 N2 C7 119.2(4) . .
C6 N2 C8 127.7(5) . .
C7 N2 C8 112.6(5) . .
C11 N3 C12 116.6(4) . 3_665
C11 N3 C13 126.0(4) . .
C12 N3 C13 116.1(4) 3_665 .
C16 N4 C17 120.0(4) . .
C16 N4 C18 127.6(4) . .
C17 N4 C18 112.3(4) . .
C21 N5 C22 117.7(4) . 3_665
C21 N5 C23 125.7(4) . .
C22 N5 C23 116.1(4) 3_665 .
C26 N6 C27 119.1(3) . .
C26 N6 C28 126.0(3) . .
C27 N6 C28 114.3(3) . .
O1 C1 N1 120.6(4) . .
O1 C1 C7 120.1(4) . .
N1 C1 C7 119.3(4) . .
N1 C2 C6 110.2(3) 2_655 .
N1 C2 H2A 109.6 2_655 .
C6 C2 H2A 109.6 . .
N1 C2 H2B 109.6 2_655 .
C6 C2 H2B 109.6 . .
H2A C2 H2B 108.1 . .
N1 C3 C4 113.9(4) . .
N1 C3 H3A 108.8 . .
C4 C3 H3A 108.8 . .
N1 C3 H3B 108.8 . .
C4 C3 H3B 108.8 . .
H3A C3 H3B 107.7 . .
O3 C4 C3 110.5(4) . .
O3 C4 H4A 109.5 . .
C3 C4 H4A 109.5 . .
O3 C4 H4B 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
O3 C5 H5A 109.5 . .
O3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
O3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O2 C6 N2 123.7(5) . .
O2 C6 C2 121.4(4) . .
N2 C6 C2 114.9(4) . .
N2 C7 C10 101.9(6) . .
N2 C7 C1 110.0(4) . .
C10 C7 C1 114.6(5) . .
N2 C7 H7 110.0 . .
C10 C7 H7 110.0 . .
C1 C7 H7 110.0 . .
C9 C8 N2 104.4(7) . .
C9 C8 H8A 110.9 . .
N2 C8 H8A 110.9 . .
C9 C8 H8B 110.9 . .
N2 C8 H8B 110.9 . .
H8A C8 H8B 108.9 . .
C8 C9 C10 108.0(7) . .
C8 C9 H9A 110.1 . .
C10 C9 H9A 110.1 . .
C8 C9 H9B 110.1 . .
C10 C9 H9B 110.1 . .
H9A C9 H9B 108.4 . .
C9 C10 C7 106.1(7) . .
C9 C10 H10A 110.5 . .
C7 C10 H10A 110.5 . .
C9 C10 H10B 110.5 . .
C7 C10 H10B 110.5 . .
H10A C10 H10B 108.7 . .
O4 C11 N3 121.6(4) . .
O4 C11 C17 120.8(4) . .
N3 C11 C17 117.4(3) . .
N3 C12 C16 112.7(4) 2_655 .
N3 C12 H12A 109.1 2_655 .
C16 C12 H12A 109.0 . .
N3 C12 H12B 109.1 2_655 .
C16 C12 H12B 109.1 . .
H12A C12 H12B 107.8 . .
N3 C13 C14 111.0(5) . .
N3 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
N3 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
O6 C14 C13 110.3(5) . .
O6 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
O6 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
O6 C15 H15A 109.5 . .
O6 C15 H15B 109.4 . .
H15A C15 H15B 109.5 . .
O6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O5 C16 N4 123.0(4) . .
O5 C16 C12 122.5(4) . .
N4 C16 C12 114.5(3) . .
N4 C17 C11 109.5(3) . .
N4 C17 C20 103.3(5) . .
C11 C17 C20 113.3(4) . .
N4 C17 H17 110.2 . .
C11 C17 H17 110.2 . .
C20 C17 H17 110.2 . .
N4 C18 C19 103.7(5) . .
N4 C18 H18A 111.0 . .
C19 C18 H18A 111.0 . .
N4 C18 H18B 111.0 . .
C19 C18 H18B 111.0 . .
H18A C18 H18B 109.0 . .
C18 C19 C20 104.8(5) . .
C18 C19 H19A 110.8 . .
C20 C19 H19A 110.8 . .
C18 C19 H19B 110.8 . .
C20 C19 H19B 110.8 . .
H19A C19 H19B 108.9 . .
C19 C20 C17 104.6(5) . .
C19 C20 H20A 110.8 . .
C17 C20 H20A 110.8 . .
C19 C20 H20B 110.8 . .
C17 C20 H20B 110.8 . .
H20A C20 H20B 108.9 . .
O7 C21 N5 121.1(3) . .
O7 C21 C27 119.8(3) . .
N5 C21 C27 119.1(3) . .
O7 C21 Na4 54.0(2) . .
N5 C21 Na4 105.7(2) . .
C27 C21 Na4 110.3(2) . .
N5 C22 C26 111.0(3) 2_655 .
N5 C22 H22A 109.4 2_655 .
C26 C22 H22A 109.4 . .
N5 C22 H22B 109.5 2_655 .
C26 C22 H22B 109.5 . .
H22A C22 H22B 108.0 . .
N5 C23 C24 111.2(5) . .
N5 C23 H23A 109.4 . .
C24 C23 H23A 109.4 . .
N5 C23 H23B 109.4 . .
C24 C23 H23B 109.4 . .
H23A C23 H23B 108.0 . .
O9 C24 C23 107.9(5) . .
O9 C24 H24A 110.1 . .
C23 C24 H24A 110.1 . .
O9 C24 H24B 110.1 . .
C23 C24 H24B 110.1 . .
H24A C24 H24B 108.4 . .
O9 C25 H25A 109.5 . .
O9 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O9 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O8 C26 N6 123.9(4) . .
O8 C26 C22 121.2(3) . .
N6 C26 C22 114.8(3) . .
O8 C26 Na4 44.5(2) . .
N6 C26 Na4 116.0(2) . .
C22 C26 Na4 107.7(2) . .
N6 C27 C21 110.2(3) . .
N6 C27 C30 101.9(3) . .
C21 C27 C30 108.6(4) . .
N6 C27 H27 111.9 . .
C21 C27 H27 111.9 . .
C30 C27 H27 111.9 . .
N6 C28 C29 102.1(4) . .
N6 C28 H28A 111.4 . .
C29 C28 H28A 111.3 . .
N6 C28 H28B 111.4 . .
C29 C28 H28B 111.4 . .
H28A C28 H28B 109.2 . .
C30 C29 C28 103.9(4) . .
C30 C29 H29A 111.0 . .
C28 C29 H29A 111.0 . .
C30 C29 H29B 111.0 . .
C28 C29 H29B 111.0 . .
H29A C29 H29B 109.0 . .
C29 C30 C27 105.0(4) . .
C29 C30 H30A 110.7 . .
C27 C30 H30A 110.7 . .
C29 C30 H30B 110.7 . .
C27 C30 H30B 110.7 . .
H30A C30 H30B 108.8 . .
N7 C31 C32 177.7(13) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C101 N100 Na1 180.000(11) . .
N100 C101 C102 180.00(2) . .
C101 C102 H10C 109.5 . .
C101 C102 H10D 109.5 . .
H10C C102 H10D 109.5 . .
C101 C102 H10E 109.5 . .
H10C C102 H10E 109.5 . .
H10D C102 H10E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 F2 1.52(2) .
P1 F2 1.52(2) 3_655
P1 F2 1.52(2) 2_545
P1 F1 1.539(18) 3_655
P1 F1 1.539(18) 2_545
P1 F1 1.539(18) .
P2 F9 1.41(2) .
P2 F14 1.48(3) .
P2 F12 1.55(2) .
P2 F7 1.50(2) .
P2 F6 1.59(2) .
P2 F5 1.60(2) .
P2 F11 1.48(6) .
P2 F13 1.56(2) .
P2 F8 1.644(11) .
P2 F10 1.65(2) .
P2 F4 1.667(17) .
P2 F3 1.663(17) .
F3 F14 1.13(3) .
F3 F9 1.43(3) .
F4 F9 0.91(2) .
F4 F12 1.40(3) .
F5 F12 0.82(2) .
F5 F11 1.09(6) .
F6 F11 1.00(6) .
F6 F13 0.92(3) .
F7 F14 0.94(3) .
F7 F10 1.56(3) .
F9 F13 1.45(3) .
F11 F13 1.68(7) .
Na1 O1 2.251(4) 3_665
Na1 O1 2.251(4) 2_655
Na1 O1 2.251(4) .
Na1 N100 2.431(18) .
Na1 Na2 4.146(8) .
Na2 O2 2.426(4) 2_655
Na2 O2 2.426(4) 3_665
Na2 O2 2.426(4) .
Na2 O4 2.464(3) .
Na2 O4 2.464(4) 2_655
Na2 O4 2.464(3) 3_665
Na3 O5 2.285(4) .
Na3 O5 2.285(4) 2_655
Na3 O5 2.285(4) 3_665
Na3 O7 2.616(4) 3_665
Na3 O7 2.616(4) 2_655
Na3 O7 2.616(4) .
Na3 Na4 3.252(4) .
Na4 O8 2.258(3) .
Na4 O8 2.258(3) 2_655
Na4 O8 2.258(3) 3_665
Na4 O7 2.487(4) 3_665
Na4 O7 2.487(4) .
Na4 O7 2.487(4) 2_655
Na4 C26 2.963(3) 3_665
Na4 C26 2.963(3) 2_655
Na4 C26 2.963(3) .
Na4 C21 3.000(4) 2_655
Na4 C21 3.000(4) .
Na4 C21 3.000(4) 3_665
O1 C1 1.242(5) .
O2 C6 1.215(5) .
O3 C4 1.380(6) .
O3 C5 1.399(6) .
O4 C11 1.222(4) .
O5 C16 1.209(5) .
O6 C14 1.370(8) .
O6 C15 1.376(9) .
O7 C21 1.221(4) .
O8 C26 1.223(4) .
O9 C24 1.363(11) .
O9 C25 1.393(11) .
N1 C1 1.343(5) .
N1 C2 1.421(5) 3_665
N1 C3 1.458(6) .
N2 C6 1.319(5) .
N2 C7 1.448(6) .
N2 C8 1.467(7) .
N3 C11 1.337(5) .
N3 C12 1.434(6) 3_665
N3 C13 1.461(6) .
N4 C16 1.329(5) .
N4 C17 1.439(6) .
N4 C18 1.450(6) .
N5 C21 1.327(5) .
N5 C22 1.438(5) 3_665
N5 C23 1.478(6) .
N6 C26 1.322(5) .
N6 C27 1.441(5) .
N6 C28 1.458(5) .
N7 C31 1.133(12) .
C1 C7 1.521(6) .
C2 N1 1.421(5) 2_655
C2 C6 1.536(6) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.498(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C7 C10 1.502(8) .
C7 H7 1.0000 .
C8 C9 1.446(13) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.483(19) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C17 1.524(5) .
C12 N3 1.434(6) 2_655
C12 C16 1.503(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.552(8) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C17 C20 1.555(8) .
C17 H17 1.0000 .
C18 C19 1.470(10) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.508(12) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C27 1.526(5) .
C22 N5 1.438(5) 2_655
C22 C26 1.526(5) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.521(10) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C27 C30 1.583(7) .
C27 H27 1.0000 .
C28 C29 1.517(7) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.505(8) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.427(15) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
N100 C101 1.02(3) .
C101 C102 1.56(4) .
C102 H10C 0.9801 .
C102 H10D 0.9801 .
C102 H10E 0.9801 .
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
F9 P2 F3 F14 -149(2) . .
F12 P2 F3 F14 170.9(19) . .
F7 P2 F3 F14 -2(2) . .
F6 P2 F3 F14 -74(2) . .
F5 P2 F3 F14 -178(3) . .
F11 P2 F3 F14 -72(6) . .
F13 P2 F3 F14 -95(2) . .
F8 P2 F3 F14 104.2(18) . .
F10 P2 F3 F14 32(2) . .
F4 P2 F3 F14 -174.3(19) . .
F14 P2 F3 F9 149(2) . .
F12 P2 F3 F9 -40.0(16) . .
F7 P2 F3 F9 146.8(13) . .
F6 P2 F3 F9 75.4(14) . .
F5 P2 F3 F9 -29(3) . .
F11 P2 F3 F9 77(5) . .
F13 P2 F3 F9 54.0(14) . .
F8 P2 F3 F9 -106.8(12) . .
F10 P2 F3 F9 -179.4(15) . .
F4 P2 F3 F9 -25.2(11) . .
F14 P2 F4 F9 35(2) . .
F12 P2 F4 F9 -156(2) . .
F7 P2 F4 F9 20(3) . .
F6 P2 F4 F9 -71(2) . .
F5 P2 F4 F9 -142.0(19) . .
F11 P2 F4 F9 -110(3) . .
F13 P2 F4 F9 -48.1(19) . .
F8 P2 F4 F9 119.1(18) . .
F10 P2 F4 F9 -176(2) . .
F3 P2 F4 F9 39.3(18) . .
F9 P2 F4 F12 156(2) . .
F14 P2 F4 F12 -169.6(16) . .
F7 P2 F4 F12 175(2) . .
F6 P2 F4 F12 84.5(15) . .
F5 P2 F4 F12 13.6(14) . .
F11 P2 F4 F12 45(3) . .
F13 P2 F4 F12 107.4(14) . .
F8 P2 F4 F12 -85.4(12) . .
F10 P2 F4 F12 -21(2) . .
F3 P2 F4 F12 -165.2(13) . .
F9 P2 F5 F12 -42(2) . .
F14 P2 F5 F12 167(4) . .
F7 P2 F5 F12 167(2) . .
F6 P2 F5 F12 -129(2) . .
F11 P2 F5 F12 -151(5) . .
F13 P2 F5 F12 -99(2) . .
F8 P2 F5 F12 57(2) . .
F10 P2 F5 F12 138(3) . .
F4 P2 F5 F12 -21(2) . .
F3 P2 F5 F12 -18(4) . .
F9 P2 F5 F11 109(4) . .
F14 P2 F5 F11 -42(6) . .
F12 P2 F5 F11 151(5) . .
F7 P2 F5 F11 -41(4) . .
F6 P2 F5 F11 22(4) . .
F13 P2 F5 F11 52(4) . .
F8 P2 F5 F11 -152(4) . .
F10 P2 F5 F11 -71(4) . .
F4 P2 F5 F11 130(4) . .
F3 P2 F5 F11 133(4) . .
F9 P2 F6 F11 -129(5) . .
F14 P2 F6 F11 139(5) . .
F12 P2 F6 F11 -47(5) . .
F7 P2 F6 F11 107(5) . .
F5 P2 F6 F11 -24(5) . .
F13 P2 F6 F11 -141(5) . .
F8 P2 F6 F11 10(8) . .
F10 P2 F6 F11 48(5) . .
F4 P2 F6 F11 -98(5) . .
F3 P2 F6 F11 178(5) . .
F9 P2 F6 F13 12(2) . .
F14 P2 F6 F13 -80(2) . .
F12 P2 F6 F13 94(2) . .
F7 P2 F6 F13 -112(2) . .
F5 P2 F6 F13 117(2) . .
F11 P2 F6 F13 141(5) . .
F8 P2 F6 F13 151(4) . .
F10 P2 F6 F13 -171(2) . .
F4 P2 F6 F13 43(2) . .
F3 P2 F6 F13 -40(2) . .
F9 P2 F7 F14 35(3) . .
F12 P2 F7 F14 -166(3) . .
F6 P2 F7 F14 119(2) . .
F5 P2 F7 F14 -180(2) . .
F11 P2 F7 F14 154(3) . .
F13 P2 F7 F14 87(2) . .
F8 P2 F7 F14 -72(2) . .
F10 P2 F7 F14 -147(3) . .
F4 P2 F7 F14 22(4) . .
F3 P2 F7 F14 3(2) . .
F9 P2 F7 F10 -178.0(14) . .
F14 P2 F7 F10 147(3) . .
F12 P2 F7 F10 -19(3) . .
F6 P2 F7 F10 -94.4(14) . .
F5 P2 F7 F10 -32.6(16) . .
F11 P2 F7 F10 -58(3) . .
F13 P2 F7 F10 -125.6(14) . .
F8 P2 F7 F10 74.9(12) . .
F4 P2 F7 F10 169(2) . .
F3 P2 F7 F10 149.6(12) . .
F14 F7 F10 P2 39(3) . .
F14 P2 F10 F7 -19.0(15) . .
F12 P2 F10 F7 171.4(13) . .
F6 P2 F10 F7 77.2(13) . .
F5 P2 F10 F7 151.9(15) . .
F11 P2 F10 F7 108(3) . .
F13 P2 F10 F7 71.6(16) . .
F8 P2 F10 F7 -109.2(11) . .
F4 P2 F10 F7 -172.4(15) . .
F3 P2 F10 F7 -39.3(16) . .
F12 F4 F9 F13 39(3) . .
P2 F4 F9 F13 61.7(19) . .
F12 F4 F9 F3 -89(3) . .
P2 F4 F9 F3 -65(2) . .
F12 F4 F9 P2 -23(2) . .
F14 F3 F9 F4 102(3) . .
P2 F3 F9 F4 74(3) . .
F14 F3 F9 F13 -33(2) . .
P2 F3 F9 F13 -60.9(13) . .
F14 F3 F9 P2 28.0(19) . .
F14 P2 F9 F4 -150(2) . .
F12 P2 F9 F4 19.1(18) . .
F7 P2 F9 F4 -170.4(16) . .
F6 P2 F9 F4 113.3(18) . .
F5 P2 F9 F4 38.8(19) . .
F11 P2 F9 F4 82(4) . .
F13 P2 F9 F4 121(2) . .
F8 P2 F9 F4 -59.8(17) . .
F3 P2 F9 F4 -130(2) . .
F14 P2 F9 F13 88.6(17) . .
F12 P2 F9 F13 -101.9(14) . .
F7 P2 F9 F13 68.6(16) . .
F6 P2 F9 F13 -7.7(15) . .
F5 P2 F9 F13 -82.2(15) . .
F11 P2 F9 F13 -39(3) . .
F8 P2 F9 F13 179.1(12) . .
F4 P2 F9 F13 -121(2) . .
F3 P2 F9 F13 108.6(15) . .
F14 P2 F9 F3 -19.9(14) . .
F12 P2 F9 F3 149.5(13) . .
F7 P2 F9 F3 -40.0(15) . .
F6 P2 F9 F3 -116.3(12) . .
F5 P2 F9 F3 169.2(12) . .
F11 P2 F9 F3 -148(3) . .
F13 P2 F9 F3 -108.6(15) . .
F8 P2 F9 F3 70.6(10) . .
F4 P2 F9 F3 130(2) . .
F13 F6 F11 F5 9(12) . .
P2 F6 F11 F5 53(7) . .
P2 F6 F11 F13 44(5) . .
F13 F6 F11 P2 -44(5) . .
F12 F5 F11 F6 -19(12) . .
P2 F5 F11 F6 -54(8) . .
F12 F5 F11 F13 -15(7) . .
P2 F5 F11 F13 -50(2) . .
F12 F5 F11 P2 35(5) . .
F9 P2 F11 F6 58(5) . .
F14 P2 F11 F6 -52(5) . .
F12 P2 F11 F6 129(4) . .
F7 P2 F11 F6 -69(4) . .
F5 P2 F11 F6 144(6) . .
F13 P2 F11 F6 22(3) . .
F8 P2 F11 F6 -177.6(19) . .
F10 P2 F11 F6 -125(5) . .
F4 P2 F11 F6 92(4) . .
F3 P2 F11 F6 -3(8) . .
F9 P2 F11 F5 -86(4) . .
F14 P2 F11 F5 165(2) . .
F12 P2 F11 F5 -15(3) . .
F7 P2 F11 F5 147(3) . .
F6 P2 F11 F5 -144(6) . .
F13 P2 F11 F5 -121(4) . .
F8 P2 F11 F5 39(5) . .
F10 P2 F11 F5 92(4) . .
F4 P2 F11 F5 -52(4) . .
F3 P2 F11 F5 -147(3) . .
F9 P2 F11 F13 35(3) . .
F14 P2 F11 F13 -74(3) . .
F12 P2 F11 F13 106(2) . .
F7 P2 F11 F13 -91.8(18) . .
F6 P2 F11 F13 -22(3) . .
F5 P2 F11 F13 121(4) . .
F8 P2 F11 F13 160.0(18) . .
F10 P2 F11 F13 -147(3) . .
F4 P2 F11 F13 70(2) . .
F3 P2 F11 F13 -25(6) . .
F11 F5 F12 F4 6(8) . .
P2 F5 F12 F4 39(4) . .
F11 F5 F12 P2 -33(5) . .
F9 F4 F12 F5 -19(5) . .
P2 F4 F12 F5 -42(4) . .
F9 F4 F12 P2 23(2) . .
F9 P2 F12 F5 139(2) . .
F14 P2 F12 F5 -158(6) . .
F7 P2 F12 F5 -23(4) . .
F6 P2 F12 F5 48(2) . .
F11 P2 F12 F5 20(3) . .
F13 P2 F12 F5 83(2) . .
F8 P2 F12 F5 -123(2) . .
F10 P2 F12 F5 -39(2) . .
F4 P2 F12 F5 153(3) . .
F3 P2 F12 F5 171.4(19) . .
F9 P2 F12 F4 -13.3(12) . .
F14 P2 F12 F4 49(7) . .
F7 P2 F12 F4 -176(2) . .
F6 P2 F12 F4 -104.2(13) . .
F5 P2 F12 F4 -153(3) . .
F11 P2 F12 F4 -133(3) . .
F13 P2 F12 F4 -70.1(13) . .
F8 P2 F12 F4 84.7(10) . .
F10 P2 F12 F4 168.0(12) . .
F3 P2 F12 F4 18.7(16) . .
F11 F6 F13 F9 27(7) . .
P2 F6 F13 F9 -15(3) . .
P2 F6 F13 F11 -42(5) . .
F11 F6 F13 P2 42(5) . .
F4 F9 F13 F6 -58(4) . .
F3 F9 F13 F6 83(4) . .
P2 F9 F13 F6 17(3) . .
F4 F9 F13 F11 -44(4) . .
F3 F9 F13 F11 96(3) . .
P2 F9 F13 F11 31(2) . .
F4 F9 F13 P2 -75(2) . .
F3 F9 F13 P2 65.3(12) . .
F5 F11 F13 F6 -173(9) . .
P2 F11 F13 F6 127(6) . .
F6 F11 F13 F9 -159(5) . .
F5 F11 F13 F9 28(5) . .
P2 F11 F13 F9 -32(2) . .
F6 F11 F13 P2 -127(6) . .
F5 F11 F13 P2 60(4) . .
F9 P2 F13 F6 -166(3) . .
F14 P2 F13 F6 102(2) . .
F12 P2 F13 F6 -89(2) . .
F7 P2 F13 F6 65(2) . .
F5 P2 F13 F6 -59(2) . .
F11 P2 F13 F6 -25(3) . .
F8 P2 F13 F6 -168.1(18) . .
F10 P2 F13 F6 10(3) . .
F4 P2 F13 F6 -137(2) . .
F3 P2 F13 F6 143(2) . .
F14 P2 F13 F9 -92.3(18) . .
F12 P2 F13 F9 77.3(16) . .
F7 P2 F13 F9 -129.0(15) . .
F6 P2 F13 F9 166(3) . .
F5 P2 F13 F9 107.1(15) . .
F11 P2 F13 F9 142(3) . .
F8 P2 F13 F9 -2(3) . .
F10 P2 F13 F9 176.3(15) . .
F4 P2 F13 F9 28.7(12) . .
F3 P2 F13 F9 -51.0(13) . .
F9 P2 F13 F11 -142(3) . .
F14 P2 F13 F11 126(3) . .
F12 P2 F13 F11 -64(3) . .
F7 P2 F13 F11 89(3) . .
F6 P2 F13 F11 25(3) . .
F5 P2 F13 F11 -34(3) . .
F8 P2 F13 F11 -143(4) . .
F10 P2 F13 F11 35(3) . .
F4 P2 F13 F11 -113(3) . .
F3 P2 F13 F11 168(3) . .
P2 F7 F14 F3 -7(6) . .
F10 F7 F14 F3 -45(8) . .
F10 F7 F14 P2 -37(3) . .
F9 F3 F14 F7 -18(8) . .
P2 F3 F14 F7 7(6) . .
F9 F3 F14 P2 -25.8(17) . .
F9 P2 F14 F7 -151(2) . .
F12 P2 F14 F7 147(6) . .
F6 P2 F14 F7 -60(2) . .
F5 P2 F14 F7 1(5) . .
F11 P2 F14 F7 -31(4) . .
F13 P2 F14 F7 -93(2) . .
F8 P2 F14 F7 112(2) . .
F10 P2 F14 F7 28(2) . .
F4 P2 F14 F7 -169.7(17) . .
F3 P2 F14 F7 -176(3) . .
F9 P2 F14 F3 24.8(17) . .
F12 P2 F14 F3 -37(8) . .
F7 P2 F14 F3 176(3) . .
F6 P2 F14 F3 116.6(17) . .
F5 P2 F14 F3 177(3) . .
F11 P2 F14 F3 145(3) . .
F13 P2 F14 F3 83.1(18) . .
F8 P2 F14 F3 -71.6(15) . .
F10 P2 F14 F3 -155.8(17) . .
F4 P2 F14 F3 7(2) . .
O1 Na1 Na2 O2 58.51(15) 3_665 2_655
O1 Na1 Na2 O2 -61.49(15) 2_655 2_655
O1 Na1 Na2 O2 178.51(15) . 2_655
O1 Na1 Na2 O2 -61.49(15) 3_665 3_665
O1 Na1 Na2 O2 178.51(15) 2_655 3_665
O1 Na1 Na2 O2 58.51(15) . 3_665
O1 Na1 Na2 O2 178.51(15) 3_665 .
O1 Na1 Na2 O2 58.51(15) 2_655 .
O1 Na1 Na2 O2 -61.49(15) . .
O1 Na1 Na2 O4 -114.87(14) 3_665 .
O1 Na1 Na2 O4 125.12(14) 2_655 .
O1 Na1 Na2 O4 5.13(14) . .
O1 Na1 Na2 O4 125.13(14) 3_665 2_655
O1 Na1 Na2 O4 5.12(14) 2_655 2_655
O1 Na1 Na2 O4 -114.87(14) . 2_655
O1 Na1 Na2 O4 5.13(14) 3_665 3_665
O1 Na1 Na2 O4 -114.87(14) 2_655 3_665
O1 Na1 Na2 O4 125.13(14) . 3_665
O1 Na1 O1 C1 71.4(6) 3_665 .
O1 Na1 O1 C1 -80.3(6) 2_655 .
N100 Na1 O1 C1 175.5(5) . .
Na2 Na1 O1 C1 -4.5(5) . .
O2 Na2 O4 C11 130.3(10) 3_665 .
O2 Na2 O4 C11 -143.5(9) . .
O4 Na2 O4 C11 -59.4(9) 2_655 .
O4 Na2 O4 C11 39.4(9) 3_665 .
Na1 Na2 O4 C11 170.0(9) . .
O5 Na3 O5 C16 51.9(12) 2_655 .
O5 Na3 O5 C16 -49.1(12) 3_665 .
O7 Na3 O5 C16 175.7(10) 3_665 .
O7 Na3 O5 C16 141.6(12) 2_655 .
O7 Na3 O5 C16 -137.2(12) . .
Na4 Na3 O5 C16 -178.6(12) . .
O8 Na4 O7 C21 -57.9(3) . .
O8 Na4 O7 C21 -175.3(3) 2_655 .
O8 Na4 O7 C21 53.9(3) 3_665 .
O7 Na4 O7 C21 132.7(3) 3_665 .
O7 Na4 O7 C21 -140.8(3) 2_655 .
C26 Na4 O7 C21 71.0(2) 3_665 .
C26 Na4 O7 C21 -179.3(2) 2_655 .
C26 Na4 O7 C21 -74.6(2) . .
C21 Na4 O7 C21 -123.4(2) 2_655 .
C21 Na4 O7 C21 117.6(2) 3_665 .
O8 Na4 O7 Na3 126.10(11) . .
O8 Na4 O7 Na3 8.7(4) 2_655 .
O8 Na4 O7 Na3 -122.06(12) 3_665 .
O7 Na4 O7 Na3 -43.28(6) 3_665 .
O7 Na4 O7 Na3 43.28(6) 2_655 .
C26 Na4 O7 Na3 -104.93(11) 3_665 .
C26 Na4 O7 Na3 4.75(18) 2_655 .
C26 Na4 O7 Na3 109.41(11) . .
C21 Na4 O7 Na3 60.66(11) 2_655 .
C21 Na4 O7 Na3 -176.0(3) . .
C21 Na4 O7 Na3 -58.32(11) 3_665 .
O5 Na3 O7 Na4 -129.23(12) . .
O5 Na3 O7 Na4 6.7(6) 2_655 .
O5 Na3 O7 Na4 131.52(12) 3_665 .
O7 Na3 O7 Na4 41.17(5) 3_665 .
O7 Na3 O7 Na4 -41.17(5) 2_655 .
O8 Na4 O8 C26 120.4(3) 2_655 .
O8 Na4 O8 C26 -119.5(3) 3_665 .
O7 Na4 O8 C26 -6.8(6) 3_665 .
O7 Na4 O8 C26 -42.2(3) . .
O7 Na4 O8 C26 45.7(3) 2_655 .
C26 Na4 O8 C26 -97.4(3) 3_665 .
C26 Na4 O8 C26 98.2(3) 2_655 .
C21 Na4 O8 C26 65.8(3) 2_655 .
C21 Na4 O8 C26 -63.6(3) . .
Na1 O1 C1 N1 -91.0(5) . .
Na1 O1 C1 C7 90.8(6) . .
C2 N1 C1 O1 14.6(5) 3_665 .
C3 N1 C1 O1 168.9(4) . .
C2 N1 C1 C7 -167.3(4) 3_665 .
C3 N1 C1 C7 -13.0(6) . .
C1 N1 C3 C4 136.2(5) . .
C2 N1 C3 C4 -69.5(5) 3_665 .
C5 O3 C4 C3 -179.6(5) . .
N1 C3 C4 O3 -76.7(7) . .
C7 N2 C6 O2 -5.6(7) . .
C8 N2 C6 O2 -177.2(6) . .
C7 N2 C6 C2 174.7(4) . .
C8 N2 C6 C2 3.1(8) . .
N1 C2 C6 O2 -0.8(6) 2_655 .
N1 C2 C6 N2 178.9(4) 2_655 .
C6 N2 C7 C10 168.2(6) . .
C8 N2 C7 C10 -18.9(7) . .
C6 N2 C7 C1 -69.8(6) . .
C8 N2 C7 C1 103.1(6) . .
O1 C1 C7 N2 -11.3(6) . .
N1 C1 C7 N2 170.6(4) . .
O1 C1 C7 C10 102.8(7) . .
N1 C1 C7 C10 -75.3(7) . .
C6 N2 C8 C9 176.3(7) . .
C7 N2 C8 C9 4.2(10) . .
N2 C8 C9 C10 13.0(11) . .
C8 C9 C10 C7 -25.0(11) . .
N2 C7 C10 C9 26.0(8) . .
C1 C7 C10 C9 -92.8(8) . .
Na2 O4 C11 N3 -82.4(10) . .
Na2 O4 C11 C17 103.0(9) . .
C12 N3 C11 O4 12.4(6) 3_665 .
C13 N3 C11 O4 178.7(4) . .
C12 N3 C11 C17 -172.8(4) 3_665 .
C13 N3 C11 C17 -6.5(6) . .
C11 N3 C13 C14 120.7(5) . .
C12 N3 C13 C14 -73.0(6) 3_665 .
C15 O6 C14 C13 -167.4(6) . .
N3 C13 C14 O6 -62.9(7) . .
Na3 O5 C16 N4 92.3(12) . .
Na3 O5 C16 C12 -85.8(13) . .
C17 N4 C16 O5 -9.1(6) . .
C18 N4 C16 O5 172.5(5) . .
C17 N4 C16 C12 169.2(4) . .
C18 N4 C16 C12 -9.3(6) . .
N3 C12 C16 O5 2.1(6) 2_655 .
N3 C12 C16 N4 -176.2(4) 2_655 .
C16 N4 C17 C11 -63.9(5) . .
C18 N4 C17 C11 114.8(4) . .
C16 N4 C17 C20 175.1(4) . .
C18 N4 C17 C20 -6.2(5) . .
O4 C11 C17 N4 -18.0(5) . .
N3 C11 C17 N4 167.2(3) . .
O4 C11 C17 C20 96.7(6) . .
N3 C11 C17 C20 -78.1(6) . .
C16 N4 C18 C19 -156.3(5) . .
C17 N4 C18 C19 25.2(6) . .
N4 C18 C19 C20 -33.4(8) . .
C18 C19 C20 C17 30.0(8) . .
N4 C17 C20 C19 -14.8(7) . .
C11 C17 C20 C19 -133.2(6) . .
Na4 O7 C21 N5 -87.3(3) . .
Na4 O7 C21 C27 94.5(3) . .
C22 N5 C21 O7 -0.1(5) 3_665 .
C23 N5 C21 O7 171.0(4) . .
C22 N5 C21 C27 178.2(3) 3_665 .
C23 N5 C21 C27 -10.8(6) . .
C22 N5 C21 Na4 -57.2(4) 3_665 .
C23 N5 C21 Na4 113.9(4) . .
O8 Na4 C21 O7 115.6(3) . .
O8 Na4 C21 O7 -121.1(3) 3_665 .
O7 Na4 C21 O7 -48.6(3) 3_665 .
O7 Na4 C21 O7 40.7(3) 2_655 .
C26 Na4 C21 O7 -97.9(3) 3_665 .
C26 Na4 C21 O7 1.6(5) 2_655 .
C26 Na4 C21 O7 92.2(3) . .
C21 Na4 C21 O7 63.3(3) 2_655 .
C21 Na4 C21 O7 -69.9(3) 3_665 .
O8 Na4 C21 N5 -127.1(3) . .
O8 Na4 C21 N5 -3.8(2) 3_665 .
O7 Na4 C21 N5 68.7(3) 3_665 .
O7 Na4 C21 N5 117.3(4) . .
O7 Na4 C21 N5 158.0(2) 2_655 .
C26 Na4 C21 N5 19.4(2) 3_665 .
C26 Na4 C21 N5 118.8(3) 2_655 .
C26 Na4 C21 N5 -150.5(3) . .
C21 Na4 C21 N5 -179.4(2) 2_655 .
C21 Na4 C21 N5 47.4(3) 3_665 .
O8 Na4 C21 C27 2.8(2) . .
O8 Na4 C21 C27 126.2(2) 3_665 .
O7 Na4 C21 C27 -161.4(2) 3_665 .
O7 Na4 C21 C27 -112.7(3) . .
O7 Na4 C21 C27 -72.1(2) 2_655 .
C26 Na4 C21 C27 149.4(2) 3_665 .
C26 Na4 C21 C27 -111.2(3) 2_655 .
C26 Na4 C21 C27 -20.6(2) . .
C21 Na4 C21 C27 -49.4(3) 2_655 .
C21 Na4 C21 C27 177.36(19) 3_665 .
C21 N5 C23 C24 118.3(5) . .
C22 N5 C23 C24 -70.5(5) 3_665 .
C25 O9 C24 C23 -173.5(9) . .
N5 C23 C24 O9 -65.8(7) . .
Na4 O8 C26 N6 94.0(4) . .
Na4 O8 C26 C22 -83.8(4) . .
C27 N6 C26 O8 -11.9(6) . .
C28 N6 C26 O8 177.9(4) . .
C27 N6 C26 C22 166.0(3) . .
C28 N6 C26 C22 -4.2(6) . .
C27 N6 C26 Na4 39.2(4) . .
C28 N6 C26 Na4 -131.0(4) . .
N5 C22 C26 O8 3.5(6) 2_655 .
N5 C22 C26 N6 -174.4(4) 2_655 .
N5 C22 C26 Na4 -43.4(4) 2_655 .
O8 Na4 C26 O8 -68.8(3) 2_655 .
O8 Na4 C26 O8 69.7(3) 3_665 .
O7 Na4 C26 O8 176.7(3) 3_665 .
O7 Na4 C26 O8 132.2(3) . .
O7 Na4 C26 O8 -129.7(3) 2_655 .
C26 Na4 C26 O8 95.4(3) 3_665 .
C26 Na4 C26 O8 -94.5(3) 2_655 .
C21 Na4 C26 O8 -104.5(3) 2_655 .
C21 Na4 C26 O8 105.6(3) . .
C21 Na4 C26 O8 175.7(3) 3_665 .
O8 Na4 C26 N6 -112.9(4) . .
O8 Na4 C26 N6 178.2(3) 2_655 .
O8 Na4 C26 N6 -43.2(3) 3_665 .
O7 Na4 C26 N6 63.7(3) 3_665 .
O7 Na4 C26 N6 19.2(3) . .
O7 Na4 C26 N6 117.3(3) 2_655 .
C26 Na4 C26 N6 -17.6(4) 3_665 .
C26 Na4 C26 N6 152.5(2) 2_655 .
C21 Na4 C26 N6 142.6(3) 2_655 .
C21 Na4 C26 N6 -7.3(2) . .
C21 Na4 C26 N6 62.8(5) 3_665 .
O8 Na4 C26 C22 116.8(4) . .
O8 Na4 C26 C22 47.9(3) 2_655 .
O8 Na4 C26 C22 -173.5(3) 3_665 .
O7 Na4 C26 C22 -66.5(3) 3_665 .
O7 Na4 C26 C22 -111.0(3) . .
O7 Na4 C26 C22 -12.9(3) 2_655 .
C26 Na4 C26 C22 -147.8(2) 3_665 .
C26 Na4 C26 C22 22.3(4) 2_655 .
C21 Na4 C26 C22 12.3(2) 2_655 .
C21 Na4 C26 C22 -137.6(3) . .
C21 Na4 C26 C22 -67.5(4) 3_665 .
C26 N6 C27 C21 -61.0(4) . .
C28 N6 C27 C21 110.3(4) . .
C26 N6 C27 C30 -176.1(4) . .
C28 N6 C27 C30 -4.8(5) . .
O7 C21 C27 N6 -12.1(5) . .
N5 C21 C27 N6 169.6(3) . .
Na4 C21 C27 N6 47.2(3) . .
O7 C21 C27 C30 98.7(4) . .
N5 C21 C27 C30 -79.6(4) . .
Na4 C21 C27 C30 158.0(3) . .
C26 N6 C28 C29 -164.3(4) . .
C27 N6 C28 C29 25.1(5) . .
N6 C28 C29 C30 -34.9(6) . .
C28 C29 C30 C27 33.0(6) . .
N6 C27 C30 C29 -17.9(5) . .
C21 C27 C30 C29 -134.1(4) . .
