#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:02:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178690 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/01/4080186.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_4080186
loop_
_publ_author_name
'Cui, Peng'
'Spaniol, Thomas P.'
'Okuda, Jun'
_publ_section_title
;
 Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes
 Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1176
_journal_paper_doi               10.1021/om300986w
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C56 H126 K2 N16 O4 Y4'
_chemical_formula_sum            'C56 H126 K2 N16 O4 Y4'
_chemical_formula_weight         1521.57
_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                 98.590(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.997(2)
_cell_length_b                   12.200(2)
_cell_length_c                   18.525(4)
_cell_measurement_reflns_used    4412
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.33
_cell_measurement_theta_min      2.22
_cell_volume                     3574.8(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         microsource
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1128
_diffrn_reflns_av_sigmaI/netI    0.0857
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            41485
_diffrn_reflns_theta_full        26.57
_diffrn_reflns_theta_max         26.57
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    3.383
_exptl_absorpt_correction_T_max  0.5811
_exptl_absorpt_correction_T_min  0.4733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Bruker'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.319
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7375
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0864P)²+0.3319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1403
_refine_ls_wR_factor_ref         0.1586
_reflns_number_gt                5060
_reflns_number_total             7375
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300986w_si_002.cif
_cod_data_source_block           3a
_cod_database_code               4080186
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.76134(3) 0.10560(4) 0.64842(2) 0.02032(15) Uani 1 1 d . A .
Y2 Y 0.55516(3) 0.11058(3) 0.55820(2) 0.01528(14) Uani 1 1 d . . .
H1 H 0.648(3) -0.001(4) 0.636(3) 0.026(13) Uiso 1 1 d . . .
H2 H 0.536(3) 0.038(4) 0.449(2) 0.018(12) Uiso 1 1 d . . .
H3 H 0.693(3) 0.092(4) 0.537(3) 0.021(13) Uiso 1 1 d . . .
K1 K 0.70835(7) -0.11828(9) 0.51448(6) 0.0267(3) Uani 1 1 d . . .
N1 N 0.8363(3) -0.0548(4) 0.6315(2) 0.0333(11) Uani 1 1 d . A .
N2 N 0.7928(2) 0.0149(4) 0.7759(2) 0.0258(10) Uani 1 1 d . . .
N3 N 0.8556(3) 0.2090(4) 0.7252(2) 0.0415(13) Uani 1 1 d . . .
N4 N 0.8887(3) 0.1607(4) 0.5845(2) 0.0344(11) Uani 1 1 d . . .
N5 N 0.6461(3) 0.2331(3) 0.6357(2) 0.0216(9) Uani 1 1 d . . .
N6 N 0.5785(3) 0.2790(3) 0.4805(2) 0.0217(9) Uani 1 1 d . . .
N7 N 0.4421(3) 0.2307(3) 0.5497(2) 0.0220(9) Uani 1 1 d . . .
N8 N 0.4989(3) 0.1182(3) 0.6810(2) 0.0223(9) Uani 1 1 d . . .
O1 O 0.7880(3) -0.0651(4) 0.3897(2) 0.0532(12) Uani 1 1 d . A .
O2 O 0.8029(2) -0.3142(3) 0.5156(3) 0.0469(11) Uani 1 1 d . A .
C1 C 0.8456(4) -0.1234(4) 0.6964(3) 0.0336(13) Uani 1 1 d . . .
H1A H 0.8921 -0.1762 0.6939 0.040 Uiso 1 1 calc R A .
H1B H 0.7929 -0.1662 0.6963 0.040 Uiso 1 1 calc R . .
C2 C 0.8637(3) -0.0610(5) 0.7672(3) 0.0308(12) Uani 1 1 d . A .
H2A H 0.8720 -0.1134 0.8085 0.037 Uiso 1 1 calc R . .
H2B H 0.9165 -0.0184 0.7681 0.037 Uiso 1 1 calc R . .
C3 C 0.8194(4) 0.1057(5) 0.8270(3) 0.0355(14) Uani 1 1 d . A .
H3A H 0.8452 0.0749 0.8746 0.043 Uiso 1 1 calc R . .
H3B H 0.7689 0.1483 0.8351 0.043 Uiso 1 1 calc R . .
C4 C 0.8818(3) 0.1813(5) 0.7991(3) 0.0352(13) Uani 1 1 d . A .
H4A H 0.8877 0.2489 0.8290 0.042 Uiso 1 1 calc R . .
H4B H 0.9378 0.1451 0.8042 0.042 Uiso 1 1 calc R . .
C5A C 0.9052(11) 0.2886(12) 0.6916(8) 0.041(4) Uani 0.562(16) 1 d P A 1
H5A H 0.9609 0.2967 0.7225 0.049 Uiso 0.562(16) 1 calc PR A 1
H5B H 0.8762 0.3605 0.6901 0.049 Uiso 0.562(16) 1 calc PR A 1
C6A C 0.9187(11) 0.2587(17) 0.6158(9) 0.050(5) Uani 0.562(16) 1 d P A 1
H6A H 0.8938 0.3182 0.5831 0.060 Uiso 0.562(16) 1 calc PR A 1
H6B H 0.9804 0.2602 0.6150 0.060 Uiso 0.562(16) 1 calc PR A 1
C7A C 0.9526(7) 0.0621(11) 0.6095(7) 0.035(3) Uani 0.562(16) 1 d P A 1
H7A H 1.0023 0.0676 0.5837 0.042 Uiso 0.562(16) 1 calc PR A 1
H7B H 0.9728 0.0681 0.6626 0.042 Uiso 0.562(16) 1 calc PR A 1
C8A C 0.910(2) -0.049(3) 0.5933(12) 0.045(6) Uani 0.562(16) 1 d P A 1
H8A H 0.8921 -0.0569 0.5400 0.054 Uiso 0.562(16) 1 calc PR A 1
H8B H 0.9502 -0.1084 0.6100 0.054 Uiso 0.562(16) 1 calc PR A 1
C10A C 0.8780(7) 0.1610(13) 0.5052(5) 0.035(3) Uani 0.562(16) 1 d P A 1
H10A H 0.9317 0.1805 0.4891 0.053 Uiso 0.562(16) 1 calc PR A 1
H10B H 0.8347 0.2148 0.4863 0.053 Uiso 0.562(16) 1 calc PR A 1
H10C H 0.8604 0.0880 0.4869 0.053 Uiso 0.562(16) 1 calc PR A 1
C5B C 0.9347(9) 0.2478(14) 0.7007(10) 0.025(4) Uani 0.438(16) 1 d P A 2
H5C H 0.9389 0.3279 0.7093 0.030 Uiso 0.438(16) 1 calc PR A 2
H5D H 0.9829 0.2133 0.7323 0.030 Uiso 0.438(16) 1 calc PR A 2
C6B C 0.9427(13) 0.2313(18) 0.6398(11) 0.033(5) Uani 0.438(16) 1 d P A 2
H6C H 1.0009 0.2026 0.6418 0.040 Uiso 0.438(16) 1 calc PR A 2
H6D H 0.9428 0.3047 0.6170 0.040 Uiso 0.438(16) 1 calc PR A 2
C7B C 0.9230(11) 0.0656(13) 0.5643(12) 0.044(5) Uani 0.438(16) 1 d P A 2
H7C H 0.9825 0.0796 0.5579 0.053 Uiso 0.438(16) 1 calc PR A 2
H7D H 0.8921 0.0426 0.5163 0.053 Uiso 0.438(16) 1 calc PR A 2
C8B C 0.921(2) -0.025(3) 0.6161(15) 0.039(6) Uani 0.438(16) 1 d P A 2
H8C H 0.9567 -0.0043 0.6627 0.047 Uiso 0.438(16) 1 calc PR A 2
H8D H 0.9473 -0.0900 0.5968 0.047 Uiso 0.438(16) 1 calc PR A 2
C10B C 0.8681(8) 0.2387(14) 0.5173(7) 0.031(4) Uani 0.438(16) 1 d P A 2
H10D H 0.9194 0.2507 0.4952 0.047 Uiso 0.438(16) 1 calc PR A 2
H10E H 0.8476 0.3091 0.5333 0.047 Uiso 0.438(16) 1 calc PR A 2
H10F H 0.8245 0.2053 0.4812 0.047 Uiso 0.438(16) 1 calc PR A 2
C9 C 0.7259(3) -0.0464(5) 0.8044(3) 0.0354(14) Uani 1 1 d . A .
H9A H 0.7480 -0.0758 0.8527 0.053 Uiso 1 1 calc R . .
H9B H 0.7069 -0.1069 0.7712 0.053 Uiso 1 1 calc R . .
H9C H 0.6783 0.0026 0.8083 0.053 Uiso 1 1 calc R . .
C11 C 0.6793(4) 0.3204(4) 0.5932(3) 0.0305(12) Uani 1 1 d . A .
H11A H 0.7277 0.2911 0.5715 0.037 Uiso 1 1 calc R . .
H11B H 0.7006 0.3809 0.6266 0.037 Uiso 1 1 calc R . .
C12 C 0.6137(4) 0.3661(4) 0.5321(3) 0.0331(13) Uani 1 1 d . A .
H12A H 0.5672 0.4007 0.5538 0.040 Uiso 1 1 calc R . .
H12B H 0.6403 0.4234 0.5053 0.040 Uiso 1 1 calc R . .
C13 C 0.4937(3) 0.3091(4) 0.4441(3) 0.0292(12) Uani 1 1 d . A .
H13A H 0.4730 0.2523 0.4076 0.035 Uiso 1 1 calc R . .
H13B H 0.4968 0.3794 0.4180 0.035 Uiso 1 1 calc R . .
C14 C 0.4317(3) 0.3204(4) 0.4981(3) 0.0321(13) Uani 1 1 d . . .
H14A H 0.4414 0.3909 0.5246 0.038 Uiso 1 1 calc R . .
H14B H 0.3732 0.3205 0.4716 0.038 Uiso 1 1 calc R . .
C15 C 0.4002(3) 0.2550(4) 0.6117(3) 0.0293(12) Uani 1 1 d . . .
H15A H 0.3391 0.2670 0.5951 0.035 Uiso 1 1 calc R . .
H15B H 0.4239 0.3231 0.6357 0.035 Uiso 1 1 calc R . .
C16 C 0.4119(3) 0.1614(4) 0.6657(3) 0.0273(12) Uani 1 1 d . A .
H16A H 0.3947 0.1864 0.7121 0.033 Uiso 1 1 calc R . .
H16B H 0.3735 0.1009 0.6466 0.033 Uiso 1 1 calc R . .
C17 C 0.5575(3) 0.1913(4) 0.7288(3) 0.0276(12) Uani 1 1 d . A .
H17A H 0.6021 0.1456 0.7568 0.033 Uiso 1 1 calc R . .
H17B H 0.5255 0.2266 0.7644 0.033 Uiso 1 1 calc R . .
C18 C 0.5991(4) 0.2793(4) 0.6904(3) 0.0312(12) Uani 1 1 d . A .
H18A H 0.5555 0.3304 0.6664 0.037 Uiso 1 1 calc R . .
H18B H 0.6382 0.3214 0.7266 0.037 Uiso 1 1 calc R . .
C19 C 0.6329(3) 0.2634(4) 0.4244(3) 0.0299(12) Uani 1 1 d . A .
H19A H 0.6109 0.2030 0.3921 0.045 Uiso 1 1 calc R . .
H19B H 0.6904 0.2459 0.4477 0.045 Uiso 1 1 calc R . .
H19C H 0.6337 0.3307 0.3957 0.045 Uiso 1 1 calc R . .
C20 C 0.4948(3) 0.0129(4) 0.7188(3) 0.0283(12) Uani 1 1 d . A .
H20A H 0.4750 0.0250 0.7657 0.042 Uiso 1 1 calc R . .
H20B H 0.5512 -0.0204 0.7272 0.042 Uiso 1 1 calc R . .
H20C H 0.4556 -0.0362 0.6886 0.042 Uiso 1 1 calc R . .
C21 C 0.7730(6) 0.0376(6) 0.3525(5) 0.073(2) Uani 1 1 d . . .
H21A H 0.7158 0.0652 0.3570 0.088 Uiso 1 1 calc R A .
H21B H 0.8151 0.0926 0.3737 0.088 Uiso 1 1 calc R . .
C22 C 0.7799(7) 0.0190(7) 0.2790(5) 0.098(3) Uani 1 1 d . A .
H22A H 0.8075 0.0826 0.2590 0.118 Uiso 1 1 calc R . .
H22B H 0.7230 0.0098 0.2503 0.118 Uiso 1 1 calc R . .
C23 C 0.8284(5) -0.0763(6) 0.2735(5) 0.070(2) Uani 1 1 d . . .
H23A H 0.8885 -0.0577 0.2727 0.084 Uiso 1 1 calc R A .
H23B H 0.8068 -0.1181 0.2288 0.084 Uiso 1 1 calc R . .
C24 C 0.8185(4) -0.1399(6) 0.3399(5) 0.066(2) Uani 1 1 d . A .
H24A H 0.7777 -0.2005 0.3276 0.079 Uiso 1 1 calc R . .
H24B H 0.8734 -0.1715 0.3620 0.079 Uiso 1 1 calc R . .
C25A C 0.8909(16) -0.290(2) 0.526(2) 0.114(12) Uani 0.50(2) 1 d PU A 1
H25A H 0.9035 -0.2635 0.4778 0.137 Uiso 0.50(2) 1 calc PR A 1
H25B H 0.8990 -0.2259 0.5590 0.137 Uiso 0.50(2) 1 calc PR A 1
C26A C 0.9425(9) -0.3506(18) 0.5465(12) 0.064(6) Uani 0.50(2) 1 d P A 1
H26A H 0.9747 -0.3271 0.5938 0.077 Uiso 0.50(2) 1 calc PR A 1
H26B H 0.9820 -0.3619 0.5108 0.077 Uiso 0.50(2) 1 calc PR A 1
C27A C 0.8852(16) -0.4632(18) 0.5557(16) 0.076(8) Uani 0.50(2) 1 d P A 1
H27A H 0.8959 -0.5210 0.5207 0.092 Uiso 0.50(2) 1 calc PR A 1
H27B H 0.8969 -0.4928 0.6060 0.092 Uiso 0.50(2) 1 calc PR A 1
C28A C 0.7973(13) -0.4199(13) 0.5389(13) 0.054(5) Uani 0.50(2) 1 d PU A 1
H28A H 0.7639 -0.4647 0.5004 0.065 Uiso 0.50(2) 1 calc PR A 1
H28B H 0.7693 -0.4222 0.5831 0.065 Uiso 0.50(2) 1 calc PR A 1
C25B C 0.8851(12) -0.3204(18) 0.4894(6) 0.041(5) Uani 0.50(2) 1 d P A 2
H25C H 0.9182 -0.2523 0.5005 0.050 Uiso 0.50(2) 1 calc PR A 2
H25D H 0.8780 -0.3344 0.4361 0.050 Uiso 0.50(2) 1 calc PR A 2
C26B C 0.9276(13) -0.420(2) 0.5335(10) 0.066(6) Uani 0.50(2) 1 d PU A 2
H26C H 0.9172 -0.4880 0.5049 0.079 Uiso 0.50(2) 1 calc PR A 2
H26D H 0.9894 -0.4080 0.5453 0.079 Uiso 0.50(2) 1 calc PR A 2
C27B C 0.8904(12) -0.4258(17) 0.5984(12) 0.058(6) Uani 0.50(2) 1 d P A 2
H27C H 0.9213 -0.3793 0.6374 0.070 Uiso 0.50(2) 1 calc PR A 2
H27D H 0.8897 -0.5023 0.6162 0.070 Uiso 0.50(2) 1 calc PR A 2
C28B C 0.8015(10) -0.3834(19) 0.5746(11) 0.052(5) Uani 0.50(2) 1 d P A 2
H28C H 0.7624 -0.4454 0.5606 0.062 Uiso 0.50(2) 1 calc PR A 2
H28D H 0.7816 -0.3432 0.6153 0.062 Uiso 0.50(2) 1 calc PR A 2
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'
K K 0.2009 0.2494 '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'
Y Y -2.7962 3.5667 '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'
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
N3 Y1 N1 103.93(18) . .
N3 Y1 N5 97.41(17) . .
N1 Y1 N5 158.66(15) . .
N3 Y1 N2 69.45(15) . .
N1 Y1 N2 74.40(14) . .
N5 Y1 N2 114.13(13) . .
N3 Y1 N4 69.61(16) . .
N1 Y1 N4 72.70(17) . .
N5 Y1 N4 115.59(15) . .
N2 Y1 N4 117.97(13) . .
N3 Y1 C11 86.86(17) . .
N1 Y1 C11 151.65(15) . .
N5 Y1 C11 28.37(14) . .
N2 Y1 C11 133.72(14) . .
N4 Y1 C11 87.23(16) . .
N3 Y1 Y2 141.27(14) . .
N1 Y1 Y2 114.79(12) . .
N5 Y1 Y2 43.88(9) . .
N2 Y1 Y2 119.22(9) . .
N4 Y1 Y2 122.05(10) . .
C11 Y1 Y2 59.40(10) . .
N3 Y1 K1 152.37(14) . .
N1 Y1 K1 50.50(11) . .
N5 Y1 K1 108.50(10) . .
N2 Y1 K1 106.84(10) . .
N4 Y1 K1 90.11(11) . .
C11 Y1 K1 111.50(10) . .
Y2 Y1 K1 65.41(2) . .
N3 Y1 H1 147.4(13) . .
N1 Y1 H1 85.5(13) . .
N5 Y1 H1 76.5(13) . .
N2 Y1 H1 83.8(13) . .
N4 Y1 H1 142.1(13) . .
C11 Y1 H1 99.5(13) . .
Y2 Y1 H1 41.8(13) . .
K1 Y1 H1 52.6(13) . .
N3 Y1 H3 144.7(12) . .
N1 Y1 H3 90.2(12) . .
N5 Y1 H3 71.8(12) . .
N2 Y1 H3 145.8(12) . .
N4 Y1 H3 84.6(13) . .
C11 Y1 H3 67.6(12) . .
Y2 Y1 H3 40.7(13) . .
K1 Y1 H3 44.0(12) . .
H1 Y1 H3 64.4(18) . .
N7 Y2 N5 92.52(14) . .
N7 Y2 N6 68.47(13) . .
N5 Y2 N6 73.27(13) . .
N7 Y2 N8 70.37(13) . .
N5 Y2 N8 73.10(13) . .
N6 Y2 N8 124.52(12) . .
N7 Y2 Y1 136.15(10) . .
N5 Y2 Y1 43.67(10) . .
N6 Y2 Y1 94.41(9) . .
N8 Y2 Y1 90.43(9) . .
N7 Y2 Y2 96.95(10) . 3_656
N5 Y2 Y2 170.52(10) . 3_656
N6 Y2 Y2 110.51(9) . 3_656
N8 Y2 Y2 109.89(9) . 3_656
Y1 Y2 Y2 126.86(2) . 3_656
N7 Y2 K1 162.34(10) . .
N5 Y2 K1 103.14(10) . .
N6 Y2 K1 108.03(9) . .
N8 Y2 K1 121.78(9) . .
Y1 Y2 K1 60.20(2) . .
Y2 Y2 K1 67.52(2) 3_656 .
N7 Y2 K1 39.90(10) . 3_656
N5 Y2 K1 131.38(10) . 3_656
N6 Y2 K1 91.44(9) . 3_656
N8 Y2 K1 79.46(9) . 3_656
Y1 Y2 K1 169.89(2) . 3_656
Y2 Y2 K1 57.929(19) 3_656 3_656
K1 Y2 K1 125.452(19) . 3_656
N7 Y2 H1 146.0(12) . .
N5 Y2 H1 73.9(12) . .
N6 Y2 H1 132.4(12) . .
N8 Y2 H1 75.8(12) . .
Y1 Y2 H1 38.9(12) . .
Y2 Y2 H1 97.9(12) 3_656 .
K1 Y2 H1 49.1(12) . .
K1 Y2 H1 136.2(12) 3_656 .
N7 Y2 H2 101.2(12) . .
N5 Y2 H2 142.4(12) . .
N6 Y2 H2 79.5(12) . .
N8 Y2 H2 144.5(12) . .
Y1 Y2 H2 115.5(12) . .
Y2 Y2 H2 35.2(12) 3_656 .
K1 Y2 H2 61.3(12) . .
K1 Y2 H2 73.7(12) 3_656 .
H1 Y2 H2 108.6(17) . .
N7 Y2 H3 143.9(11) . .
N5 Y2 H3 69.8(11) . .
N6 Y2 H3 76.2(11) . .
N8 Y2 H3 128.5(12) . .
Y1 Y2 H3 38.3(12) . .
Y2 Y2 H3 102.3(11) 3_656 .
K1 Y2 H3 40.9(11) . .
K1 Y2 H3 151.7(12) 3_656 .
H1 Y2 H3 60.5(16) . .
H2 Y2 H3 79.0(16) . .
O2 K1 N1 84.34(13) . .
O2 K1 N7 90.80(12) . 3_656
N1 K1 N7 154.88(13) . 3_656
O2 K1 O1 84.01(14) . .
N1 K1 O1 101.28(13) . .
N7 K1 O1 102.70(12) 3_656 .
O2 K1 C15 78.11(13) . 3_656
N1 K1 C15 162.45(13) . 3_656
N7 K1 C15 27.11(12) 3_656 3_656
O1 K1 C15 77.60(13) . 3_656
O2 K1 C14 74.15(12) . 3_656
N1 K1 C14 130.89(14) . 3_656
N7 K1 C14 25.77(12) 3_656 3_656
O1 K1 C14 119.14(13) . 3_656
C15 K1 C14 42.88(13) 3_656 3_656
O2 K1 C8A 74.9(5) . .
N1 K1 C8A 24.7(4) . .
N7 K1 C8A 165.6(5) 3_656 .
O1 K1 C8A 77.6(5) . .
C15 K1 C8A 144.8(4) 3_656 .
C14 K1 C8A 142.5(6) 3_656 .
O2 K1 Y1 123.37(10) . .
N1 K1 Y1 39.22(9) . .
N7 K1 Y1 136.40(9) 3_656 .
O1 K1 Y1 106.73(9) . .
C15 K1 Y1 158.10(10) 3_656 .
C14 K1 Y1 132.87(10) 3_656 .
C8A K1 Y1 55.1(4) . .
O2 K1 Y2 163.94(9) . .
N1 K1 Y2 92.86(9) . .
N7 K1 Y2 85.04(8) 3_656 .
O1 K1 Y2 112.04(10) . .
C15 K1 Y2 103.85(10) 3_656 .
C14 K1 Y2 96.25(10) 3_656 .
C8A K1 Y2 108.4(5) . .
Y1 K1 Y2 54.384(19) . .
O2 K1 Y2 121.86(9) . 3_656
N1 K1 Y2 143.36(10) . 3_656
N7 K1 Y2 31.17(8) 3_656 3_656
O1 K1 Y2 106.22(10) . 3_656
C15 K1 Y2 50.74(9) 3_656 3_656
C14 K1 Y2 50.48(9) 3_656 3_656
C8A K1 Y2 162.9(5) . 3_656
Y1 K1 Y2 108.33(3) . 3_656
Y2 K1 Y2 54.548(19) . 3_656
O2 K1 H1 129.9(9) . .
N1 K1 H1 64.3(9) . .
N7 K1 H1 101.6(9) 3_656 .
O1 K1 H1 137.5(10) . .
C15 K1 H1 127.9(9) 3_656 .
C14 K1 H1 97.0(9) 3_656 .
C8A K1 H1 87.0(10) . .
Y1 K1 H1 36.6(9) . .
Y2 K1 H1 37.1(9) . .
Y2 K1 H1 79.0(9) 3_656 .
O2 K1 H3 153.0(11) . .
N1 K1 H3 71.7(10) . .
N7 K1 H3 116.2(11) 3_656 .
O1 K1 H3 88.4(11) . .
C15 K1 H3 125.4(10) 3_656 .
C14 K1 H3 131.4(11) 3_656 .
C8A K1 H3 78.2(12) . .
Y1 K1 H3 35.6(10) . .
Y2 K1 H3 35.2(11) . .
Y2 K1 H3 85.2(11) 3_656 .
H1 K1 H3 49.5(14) . .
C1 N1 C8A 116.1(13) . .
C1 N1 C8B 108.6(13) . .
C1 N1 Y1 111.2(3) . .
C8A N1 Y1 119.1(13) . .
C8B N1 Y1 108.8(12) . .
C1 N1 K1 116.4(3) . .
C8A N1 K1 100.6(8) . .
C8B N1 K1 119.8(11) . .
Y1 N1 K1 90.28(14) . .
C9 N2 C3 107.9(4) . .
C9 N2 C2 109.3(4) . .
C3 N2 C2 112.6(4) . .
C9 N2 Y1 119.6(3) . .
C3 N2 Y1 105.2(3) . .
C2 N2 Y1 102.4(3) . .
C4 N3 C5A 118.4(8) . .
C4 N3 C5B 103.3(7) . .
C4 N3 Y1 122.8(4) . .
C5A N3 Y1 116.9(7) . .
C5B N3 Y1 119.9(7) . .
C6A N4 C10A 113.8(9) . .
C7B N4 C6B 117.4(12) . .
C10A N4 C6B 130.9(10) . .
C7B N4 C10B 110.3(10) . .
C6B N4 C10B 103.0(10) . .
C6A N4 C7A 111.2(9) . .
C10A N4 C7A 105.6(7) . .
C7B N4 Y1 106.3(7) . .
C6A N4 Y1 106.2(8) . .
C10A N4 Y1 118.7(5) . .
C6B N4 Y1 104.3(8) . .
C10B N4 Y1 115.8(5) . .
C7A N4 Y1 100.6(5) . .
C18 N5 C11 110.9(4) . .
C18 N5 Y1 130.5(3) . .
C11 N5 Y1 100.8(3) . .
C18 N5 Y2 109.0(3) . .
C11 N5 Y2 111.4(3) . .
Y1 N5 Y2 92.45(13) . .
C19 N6 C13 108.3(4) . .
C19 N6 C12 110.1(4) . .
C13 N6 C12 110.6(4) . .
C19 N6 Y2 116.4(3) . .
C13 N6 Y2 104.8(3) . .
C12 N6 Y2 106.5(3) . .
C15 N7 C14 110.4(4) . .
C15 N7 Y2 121.8(3) . .
C14 N7 Y2 122.4(3) . .
C15 N7 K1 88.1(3) . 3_656
C14 N7 K1 94.7(3) . 3_656
Y2 N7 K1 108.93(15) . 3_656
C20 N8 C16 107.2(4) . .
C20 N8 C17 108.1(4) . .
C16 N8 C17 113.2(4) . .
C20 N8 Y2 115.8(3) . .
C16 N8 Y2 106.7(3) . .
C17 N8 Y2 106.1(3) . .
C24 O1 C21 107.2(5) . .
C24 O1 K1 127.4(4) . .
C21 O1 K1 121.4(4) . .
C28A O2 C25A 105.5(14) . .
C28B O2 C25B 110.6(10) . .
C28A O2 K1 137.7(8) . .
C28B O2 K1 116.7(10) . .
C25A O2 K1 109.9(11) . .
C25B O2 K1 123.1(9) . .
N1 C1 C2 114.3(5) . .
N1 C1 H1A 108.7 . .
C2 C1 H1A 108.7 . .
N1 C1 H1B 108.7 . .
C2 C1 H1B 108.7 . .
H1A C1 H1B 107.6 . .
N2 C2 C1 110.9(4) . .
N2 C2 H2A 109.5 . .
C1 C2 H2A 109.5 . .
N2 C2 H2B 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 108.0 . .
N2 C3 C4 112.4(4) . .
N2 C3 H3A 109.1 . .
C4 C3 H3A 109.1 . .
N2 C3 H3B 109.1 . .
C4 C3 H3B 109.1 . .
H3A C3 H3B 107.8 . .
N3 C4 C3 111.4(4) . .
N3 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
N3 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
N3 C5A C6A 113.9(11) . .
N3 C5A H5A 108.8 . .
C6A C5A H5A 108.8 . .
N3 C5A H5B 108.8 . .
C6A C5A H5B 108.8 . .
H5A C5A H5B 107.7 . .
N4 C6A C5A 120.9(14) . .
N4 C6A H6A 107.1 . .
C5A C6A H6A 107.1 . .
N4 C6A H6B 107.1 . .
C5A C6A H6B 107.1 . .
H6A C6A H6B 106.8 . .
C8A C7A N4 111.2(14) . .
C8A C7A H7A 109.4 . .
N4 C7A H7A 109.4 . .
C8A C7A H7B 109.4 . .
N4 C7A H7B 109.4 . .
H7A C7A H7B 108.0 . .
N1 C8A C7A 108.6(16) . .
N1 C8A K1 54.6(8) . .
C7A C8A K1 131.7(17) . .
N1 C8A H8A 110.0 . .
C7A C8A H8A 110.0 . .
K1 C8A H8A 55.9 . .
N1 C8A H8B 110.0 . .
C7A C8A H8B 110.0 . .
K1 C8A H8B 118.3 . .
H8A C8A H8B 108.4 . .
N4 C10A H10A 109.5 . .
N4 C10A H10B 109.5 . .
N4 C10A H10C 109.5 . .
C6B C5B N3 117.5(15) . .
C6B C5B H5C 107.9 . .
N3 C5B H5C 107.9 . .
C6B C5B H5D 107.9 . .
N3 C5B H5D 107.9 . .
H5C C5B H5D 107.2 . .
C5B C6B N4 128.2(18) . .
C5B C6B H6C 105.3 . .
N4 C6B H6C 105.3 . .
C5B C6B H6D 105.3 . .
N4 C6B H6D 105.3 . .
H6C C6B H6D 106.0 . .
N4 C7B C8B 114.4(18) . .
N4 C7B H7C 108.6 . .
C8B C7B H7C 108.6 . .
N4 C7B H7D 108.6 . .
C8B C7B H7D 108.6 . .
H7C C7B H7D 107.6 . .
C7B C8B N1 115(2) . .
C7B C8B H8C 108.5 . .
N1 C8B H8C 108.5 . .
C7B C8B H8D 108.5 . .
N1 C8B H8D 108.5 . .
H8C C8B H8D 107.5 . .
N4 C10B H10D 109.5 . .
N4 C10B H10E 109.5 . .
H10D C10B H10E 109.5 . .
N4 C10B H10F 109.5 . .
H10D C10B H10F 109.5 . .
H10E C10B H10F 109.5 . .
N2 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N5 C11 C12 113.4(4) . .
N5 C11 Y1 50.8(2) . .
C12 C11 Y1 141.1(3) . .
N5 C11 H11A 108.9 . .
C12 C11 H11A 108.9 . .
Y1 C11 H11A 60.1 . .
N5 C11 H11B 108.9 . .
C12 C11 H11B 108.9 . .
Y1 C11 H11B 110.0 . .
H11A C11 H11B 107.7 . .
N6 C12 C11 111.6(4) . .
N6 C12 H12A 109.3 . .
C11 C12 H12A 109.3 . .
N6 C12 H12B 109.3 . .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
N6 C13 C14 111.8(4) . .
N6 C13 H13A 109.3 . .
C14 C13 H13A 109.3 . .
N6 C13 H13B 109.3 . .
C14 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
N7 C14 C13 110.1(4) . .
N7 C14 K1 59.6(3) . 3_656
C13 C14 K1 112.8(3) . 3_656
N7 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
K1 C14 H14A 137.3 3_656 .
N7 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
K1 C14 H14B 52.2 3_656 .
H14A C14 H14B 108.1 . .
N7 C15 C16 110.1(4) . .
N7 C15 K1 64.7(3) . 3_656
C16 C15 K1 95.2(3) . 3_656
N7 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
K1 C15 H15A 56.1 3_656 .
N7 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
K1 C15 H15B 154.6 3_656 .
H15A C15 H15B 108.2 . .
N8 C16 C15 114.6(4) . .
N8 C16 H16A 108.6 . .
C15 C16 H16A 108.6 . .
N8 C16 H16B 108.6 . .
C15 C16 H16B 108.6 . .
H16A C16 H16B 107.6 . .
N8 C17 C18 115.6(4) . .
N8 C17 H17A 108.4 . .
C18 C17 H17A 108.4 . .
N8 C17 H17B 108.4 . .
C18 C17 H17B 108.4 . .
H17A C17 H17B 107.4 . .
N5 C18 C17 111.4(4) . .
N5 C18 H18A 109.4 . .
C17 C18 H18A 109.4 . .
N5 C18 H18B 109.4 . .
C17 C18 H18B 109.4 . .
H18A C18 H18B 108.0 . .
N6 C19 H19A 109.5 . .
N6 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N6 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N8 C20 H20A 109.5 . .
N8 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N8 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 O1 107.1(6) . .
C22 C21 H21A 110.3 . .
O1 C21 H21A 110.3 . .
C22 C21 H21B 110.3 . .
O1 C21 H21B 110.3 . .
H21A C21 H21B 108.5 . .
C21 C22 C23 109.1(7) . .
C21 C22 H22A 109.9 . .
C23 C22 H22A 109.9 . .
C21 C22 H22B 109.9 . .
C23 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
C22 C23 C24 104.1(7) . .
C22 C23 H23A 110.9 . .
C24 C23 H23A 110.9 . .
C22 C23 H23B 110.9 . .
C24 C23 H23B 110.9 . .
H23A C23 H23B 108.9 . .
O1 C24 C23 106.9(6) . .
O1 C24 H24A 110.4 . .
C23 C24 H24A 110.4 . .
O1 C24 H24B 110.4 . .
C23 C24 H24B 110.4 . .
H24A C24 H24B 108.6 . .
C26A C25A O2 124(2) . .
C26A C25A H25A 106.3 . .
O2 C25A H25A 106.3 . .
C26A C25A H25B 106.3 . .
O2 C25A H25B 106.3 . .
H25A C25A H25B 106.4 . .
C25A C26A C27A 101.1(18) . .
C25A C26A H26A 111.6 . .
C27A C26A H26A 111.6 . .
C25A C26A H26B 111.6 . .
C27A C26A H26B 111.6 . .
H26A C26A H26B 109.4 . .
C28A C27A C26A 101.6(13) . .
C28A C27A H27A 111.4 . .
C26A C27A H27A 111.4 . .
C28A C27A H27B 111.4 . .
C26A C27A H27B 111.4 . .
H27A C27A H27B 109.3 . .
O2 C28A C27A 107.2(14) . .
O2 C28A H28A 110.3 . .
C27A C28A H28A 110.3 . .
O2 C28A H28B 110.3 . .
C27A C28A H28B 110.3 . .
H28A C28A H28B 108.5 . .
O2 C25B C26B 102.0(13) . .
O2 C25B H25C 111.4 . .
C26B C25B H25C 111.4 . .
O2 C25B H25D 111.4 . .
C26B C25B H25D 111.4 . .
H25C C25B H25D 109.2 . .
C27B C26B C25B 106.3(15) . .
C27B C26B H26C 110.5 . .
C25B C26B H26C 110.5 . .
C27B C26B H26D 110.5 . .
C25B C26B H26D 110.5 . .
H26C C26B H26D 108.7 . .
C26B C27B C28B 103.2(14) . .
C26B C27B H27C 111.1 . .
C28B C27B H27C 111.1 . .
C26B C27B H27D 111.1 . .
C28B C27B H27D 111.1 . .
H27C C27B H27D 109.1 . .
O2 C28B C27B 108.1(12) . .
O2 C28B H28C 110.1 . .
C27B C28B H28C 110.1 . .
O2 C28B H28D 110.1 . .
C27B C28B H28D 110.1 . .
H28C C28B H28D 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N3 2.291(5) .
Y1 N1 2.341(5) .
Y1 N5 2.397(4) .
Y1 N2 2.589(4) .
Y1 N4 2.594(4) .
Y1 C11 3.038(5) .
Y1 Y2 3.4682(7) .
Y1 K1 3.7023(13) .
Y1 H1 2.21(5) .
Y1 H3 2.19(5) .
Y2 N7 2.315(4) .
Y2 N5 2.406(4) .
Y2 N6 2.568(4) .
Y2 N8 2.570(4) .
Y2 Y2 3.7293(9) 3_656
Y2 K1 3.8794(12) .
Y2 K1 4.2303(13) 3_656
Y2 H1 2.34(5) .
Y2 H2 2.19(4) .
Y2 H3 2.31(5) .
K1 O2 2.827(4) .
K1 N1 2.857(5) .
K1 N7 2.869(4) 3_656
K1 O1 2.875(5) .
K1 C15 3.170(5) 3_656
K1 C14 3.316(6) 3_656
K1 C8A 3.44(3) .
K1 Y2 4.2303(13) 3_656
K1 H1 2.94(5) .
K1 H3 2.62(4) .
N1 C1 1.454(7) .
N1 C8A 1.47(3) .
N1 C8B 1.48(4) .
N2 C9 1.466(6) .
N2 C3 1.478(7) .
N2 C2 1.492(7) .
N3 C4 1.411(7) .
N3 C5A 1.451(14) .
N3 C5B 1.483(17) .
N4 C7B 1.360(16) .
N4 C6A 1.38(2) .
N4 C10A 1.452(10) .
N4 C6B 1.509(19) .
N4 C10B 1.562(14) .
N4 C7A 1.602(13) .
N5 C18 1.461(6) .
N5 C11 1.470(6) .
N6 C19 1.464(6) .
N6 C13 1.468(6) .
N6 C12 1.484(6) .
N7 C15 1.446(6) .
N7 C14 1.447(6) .
N7 K1 2.869(4) 3_656
N8 C20 1.470(6) .
N8 C16 1.476(6) .
N8 C17 1.486(6) .
O1 C24 1.433(9) .
O1 C21 1.434(8) .
O2 C28A 1.368(17) .
O2 C28B 1.385(16) .
O2 C25A 1.42(3) .
O2 C25B 1.47(2) .
C1 C2 1.507(8) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.506(8) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5A C6A 1.50(2) .
C5A H5A 0.9900 .
C5A H5B 0.9900 .
C6A H6A 0.9900 .
C6A H6B 0.9900 .
C7A C8A 1.52(3) .
C7A H7A 0.9900 .
C7A H7B 0.9900 .
C8A H8A 0.9900 .
C8A H8B 0.9900 .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
C5B C6B 1.17(3) .
C5B H5C 0.9900 .
C5B H5D 0.9900 .
C6B H6C 0.9900 .
C6B H6D 0.9900 .
C7B C8B 1.46(4) .
C7B H7C 0.9900 .
C7B H7D 0.9900 .
C8B H8C 0.9900 .
C8B H8D 0.9900 .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C10B H10F 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C11 C12 1.530(7) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.516(7) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 K1 3.316(6) 3_656
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.511(7) .
C15 K1 3.170(5) 3_656
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.497(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.401(11) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.410(10) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.483(10) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25A C26A 1.14(3) .
C25A H25A 0.9900 .
C25A H25B 0.9900 .
C26A C27A 1.67(3) .
C26A H26A 0.9900 .
C26A H26B 0.9900 .
C27A C28A 1.49(3) .
C27A H27A 0.9900 .
C27A H27B 0.9900 .
C28A H28A 0.9900 .
C28A H28B 0.9900 .
C25B C26B 1.56(3) .
C25B H25C 0.9900 .
C25B H25D 0.9900 .
C26B C27B 1.42(3) .
C26B H26C 0.9900 .
C26B H26D 0.9900 .
C27B C28B 1.52(2) .
C27B H27C 0.9900 .
C27B H27D 0.9900 .
C28B H28C 0.9900 .
C28B H28D 0.9900 .
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
N3 Y1 Y2 N7 -0.8(2) . .
N1 Y1 Y2 N7 177.64(18) . .
N5 Y1 Y2 N7 -3.11(19) . .
N2 Y1 Y2 N7 92.28(18) . .
N4 Y1 Y2 N7 -97.9(2) . .
C11 Y1 Y2 N7 -33.82(19) . .
K1 Y1 Y2 N7 -171.45(15) . .
N3 Y1 Y2 N5 2.3(2) . .
N1 Y1 Y2 N5 -179.26(18) . .
N2 Y1 Y2 N5 95.39(18) . .
N4 Y1 Y2 N5 -94.8(2) . .
C11 Y1 Y2 N5 -30.71(18) . .
K1 Y1 Y2 N5 -168.34(14) . .
N3 Y1 Y2 N6 62.3(2) . .
N1 Y1 Y2 N6 -119.18(15) . .
N5 Y1 Y2 N6 60.07(16) . .
N2 Y1 Y2 N6 155.46(14) . .
N4 Y1 Y2 N6 -34.76(17) . .
C11 Y1 Y2 N6 29.36(15) . .
K1 Y1 Y2 N6 -108.27(9) . .
N3 Y1 Y2 N8 -62.3(2) . .
N1 Y1 Y2 N8 116.14(15) . .
N5 Y1 Y2 N8 -64.61(16) . .
N2 Y1 Y2 N8 30.78(14) . .
N4 Y1 Y2 N8 -159.44(17) . .
C11 Y1 Y2 N8 -95.32(15) . .
K1 Y1 Y2 N8 127.05(9) . .
N3 Y1 Y2 Y2 -177.86(18) . 3_656
N1 Y1 Y2 Y2 0.61(13) . 3_656
N5 Y1 Y2 Y2 179.87(14) . 3_656
N2 Y1 Y2 Y2 -84.74(12) . 3_656
N4 Y1 Y2 Y2 85.04(14) . 3_656
C11 Y1 Y2 Y2 149.16(13) . 3_656
K1 Y1 Y2 Y2 11.53(3) . 3_656
N3 Y1 Y2 K1 170.61(18) . .
N1 Y1 Y2 K1 -10.91(12) . .
N5 Y1 Y2 K1 168.34(14) . .
N2 Y1 Y2 K1 -96.27(12) . .
N4 Y1 Y2 K1 73.51(14) . .
C11 Y1 Y2 K1 137.63(13) . .
N3 Y1 Y2 K1 -62.8(2) . 3_656
N1 Y1 Y2 K1 115.68(17) . 3_656
N5 Y1 Y2 K1 -65.06(18) . 3_656
N2 Y1 Y2 K1 30.33(17) . 3_656
N4 Y1 Y2 K1 -159.90(18) . 3_656
C11 Y1 Y2 K1 -95.77(17) . 3_656
K1 Y1 Y2 K1 126.59(11) . 3_656
N3 Y1 K1 O2 32.0(3) . .
N1 Y1 K1 O2 6.46(17) . .
N5 Y1 K1 O2 -169.17(15) . .
N2 Y1 K1 O2 -45.68(14) . .
N4 Y1 K1 O2 73.69(15) . .
C11 Y1 K1 O2 160.76(16) . .
Y2 Y1 K1 O2 -160.67(11) . .
N3 Y1 K1 N1 25.6(3) . .
N5 Y1 K1 N1 -175.62(18) . .
N2 Y1 K1 N1 -52.14(17) . .
N4 Y1 K1 N1 67.24(18) . .
C11 Y1 K1 N1 154.30(19) . .
Y2 Y1 K1 N1 -167.13(15) . .
N3 Y1 K1 N7 167.8(3) . 3_656
N1 Y1 K1 N7 142.2(2) . 3_656
N5 Y1 K1 N7 -33.45(17) . 3_656
N2 Y1 K1 N7 90.03(15) . 3_656
N4 Y1 K1 N7 -150.59(16) . 3_656
C11 Y1 K1 N7 -63.53(17) . 3_656
Y2 Y1 K1 N7 -24.96(12) . 3_656
N3 Y1 K1 O1 -61.8(3) . .
N1 Y1 K1 O1 -87.41(18) . .
N5 Y1 K1 O1 96.97(15) . .
N2 Y1 K1 O1 -139.55(14) . .
N4 Y1 K1 O1 -20.17(15) . .
C11 Y1 K1 O1 66.90(16) . .
Y2 Y1 K1 O1 105.46(10) . .
N3 Y1 K1 C15 -160.3(4) . 3_656
N1 Y1 K1 C15 174.2(3) . 3_656
N5 Y1 K1 C15 -1.5(3) . 3_656
N2 Y1 K1 C15 122.0(3) . 3_656
N4 Y1 K1 C15 -118.6(3) . 3_656
C11 Y1 K1 C15 -31.5(3) . 3_656
Y2 Y1 K1 C15 7.0(3) . 3_656
N3 Y1 K1 C14 131.6(3) . 3_656
N1 Y1 K1 C14 105.97(19) . 3_656
N5 Y1 K1 C14 -69.65(16) . 3_656
N2 Y1 K1 C14 53.83(16) . 3_656
N4 Y1 K1 C14 173.21(16) . 3_656
C11 Y1 K1 C14 -99.73(17) . 3_656
Y2 Y1 K1 C14 -61.16(13) . 3_656
N3 Y1 K1 C8A -0.7(7) . .
N1 Y1 K1 C8A -26.3(7) . .
N5 Y1 K1 C8A 158.1(7) . .
N2 Y1 K1 C8A -78.4(7) . .
N4 Y1 K1 C8A 40.9(7) . .
C11 Y1 K1 C8A 128.0(7) . .
Y2 Y1 K1 C8A 166.6(7) . .
N3 Y1 K1 Y2 -167.3(3) . .
N1 Y1 K1 Y2 167.13(15) . .
N5 Y1 K1 Y2 -8.49(10) . .
N2 Y1 K1 Y2 114.99(9) . .
N4 Y1 K1 Y2 -125.63(11) . .
C11 Y1 K1 Y2 -38.57(12) . .
N3 Y1 K1 Y2 -175.8(3) . 3_656
N1 Y1 K1 Y2 158.59(15) . 3_656
N5 Y1 K1 Y2 -17.03(11) . 3_656
N2 Y1 K1 Y2 106.45(9) . 3_656
N4 Y1 K1 Y2 -134.17(11) . 3_656
C11 Y1 K1 Y2 -47.11(12) . 3_656
Y2 Y1 K1 Y2 -8.54(2) . 3_656
N7 Y2 K1 O2 -112.3(5) . .
N5 Y2 K1 O2 95.8(4) . .
N6 Y2 K1 O2 172.2(4) . .
N8 Y2 K1 O2 17.7(4) . .
Y1 Y2 K1 O2 87.5(3) . .
Y2 Y2 K1 O2 -82.5(3) 3_656 .
K1 Y2 K1 O2 -82.5(3) 3_656 .
N7 Y2 K1 N1 168.3(3) . .
N5 Y2 K1 N1 16.34(14) . .
N6 Y2 K1 N1 92.76(13) . .
N8 Y2 K1 N1 -61.74(15) . .
Y1 Y2 K1 N1 8.11(9) . .
Y2 Y2 K1 N1 -161.93(10) 3_656 .
K1 Y2 K1 N1 -161.93(10) 3_656 .
N7 Y2 K1 N7 -36.8(4) . 3_656
N5 Y2 K1 N7 171.26(12) . 3_656
N6 Y2 K1 N7 -112.33(12) . 3_656
N8 Y2 K1 N7 93.17(14) . 3_656
Y1 Y2 K1 N7 163.02(9) . 3_656
Y2 Y2 K1 N7 -7.02(8) 3_656 3_656
K1 Y2 K1 N7 -7.02(8) 3_656 3_656
N7 Y2 K1 O1 64.9(4) . .
N5 Y2 K1 O1 -87.04(14) . .
N6 Y2 K1 O1 -10.63(13) . .
N8 Y2 K1 O1 -165.13(14) . .
Y1 Y2 K1 O1 -95.28(10) . .
Y2 Y2 K1 O1 94.69(10) 3_656 .
K1 Y2 K1 O1 94.69(10) 3_656 .
N7 Y2 K1 C15 -17.1(4) . 3_656
N5 Y2 K1 C15 -169.07(14) . 3_656
N6 Y2 K1 C15 -92.65(14) . 3_656
N8 Y2 K1 C15 112.85(15) . 3_656
Y1 Y2 K1 C15 -177.31(10) . 3_656
Y2 Y2 K1 C15 12.66(10) 3_656 3_656
K1 Y2 K1 C15 12.66(10) 3_656 3_656
N7 Y2 K1 C14 -60.1(4) . 3_656
N5 Y2 K1 C14 148.01(14) . 3_656
N6 Y2 K1 C14 -135.58(13) . 3_656
N8 Y2 K1 C14 69.92(14) . 3_656
Y1 Y2 K1 C14 139.77(10) . 3_656
Y2 Y2 K1 C14 -30.26(9) 3_656 3_656
K1 Y2 K1 C14 -30.26(9) 3_656 3_656
N7 Y2 K1 C8A 148.6(6) . .
N5 Y2 K1 C8A -3.3(6) . .
N6 Y2 K1 C8A 73.1(6) . .
N8 Y2 K1 C8A -81.4(6) . .
Y1 Y2 K1 C8A -11.6(6) . .
Y2 Y2 K1 C8A 178.4(6) 3_656 .
K1 Y2 K1 C8A 178.4(6) 3_656 .
N7 Y2 K1 Y1 160.2(3) . .
N5 Y2 K1 Y1 8.24(10) . .
N6 Y2 K1 Y1 84.65(9) . .
N8 Y2 K1 Y1 -69.85(11) . .
Y2 Y2 K1 Y1 -170.03(3) 3_656 .
K1 Y2 K1 Y1 -170.03(3) 3_656 .
N7 Y2 K1 Y2 -29.8(3) . 3_656
N5 Y2 K1 Y2 178.27(10) . 3_656
N6 Y2 K1 Y2 -105.32(9) . 3_656
N8 Y2 K1 Y2 100.19(11) . 3_656
Y1 Y2 K1 Y2 170.03(3) . 3_656
K1 Y2 K1 Y2 0.0 3_656 3_656
N3 Y1 N1 C1 73.3(4) . .
N5 Y1 N1 C1 -107.1(5) . .
N2 Y1 N1 C1 9.7(3) . .
N4 Y1 N1 C1 136.4(4) . .
C11 Y1 N1 C1 -176.8(3) . .
Y2 Y1 N1 C1 -105.7(3) . .
K1 Y1 N1 C1 -118.6(4) . .
N3 Y1 N1 C8A -65.7(10) . .
N5 Y1 N1 C8A 113.8(10) . .
N2 Y1 N1 C8A -129.3(10) . .
N4 Y1 N1 C8A -2.7(10) . .
C11 Y1 N1 C8A 44.2(10) . .
Y2 Y1 N1 C8A 115.2(10) . .
K1 Y1 N1 C8A 102.4(10) . .
N3 Y1 N1 C8B -46.3(12) . .
N5 Y1 N1 C8B 133.3(12) . .
N2 Y1 N1 C8B -109.9(12) . .
N4 Y1 N1 C8B 16.8(12) . .
C11 Y1 N1 C8B 63.6(12) . .
Y2 Y1 N1 C8B 134.7(12) . .
K1 Y1 N1 C8B 121.8(12) . .
N3 Y1 N1 K1 -168.09(13) . .
N5 Y1 N1 K1 11.5(5) . .
N2 Y1 N1 K1 128.32(15) . .
N4 Y1 N1 K1 -105.03(15) . .
C11 Y1 N1 K1 -58.2(3) . .
Y2 Y1 N1 K1 12.89(15) . .
O2 K1 N1 C1 -60.6(4) . .
N7 K1 N1 C1 19.1(5) 3_656 .
O1 K1 N1 C1 -143.4(4) . .
C15 K1 N1 C1 -58.8(6) 3_656 .
C14 K1 N1 C1 2.7(4) 3_656 .
C8A K1 N1 C1 -126.3(14) . .
Y1 K1 N1 C1 113.9(4) . .
Y2 K1 N1 C1 103.5(3) . .
Y2 K1 N1 C1 78.5(4) 3_656 .
O2 K1 N1 C8A 65.7(13) . .
N7 K1 N1 C8A 145.4(13) 3_656 .
O1 K1 N1 C8A -17.1(13) . .
C15 K1 N1 C8A 67.5(14) 3_656 .
C14 K1 N1 C8A 129.0(13) 3_656 .
Y1 K1 N1 C8A -119.8(13) . .
Y2 K1 N1 C8A -130.2(13) . .
Y2 K1 N1 C8A -155.3(13) 3_656 .
O2 K1 N1 C8B 73.4(15) . .
N7 K1 N1 C8B 153.1(14) 3_656 .
O1 K1 N1 C8B -9.3(15) . .
C15 K1 N1 C8B 75.2(15) 3_656 .
C14 K1 N1 C8B 136.8(15) 3_656 .
C8A K1 N1 C8B 8(3) . .
Y1 K1 N1 C8B -112.0(15) . .
Y2 K1 N1 C8B -122.4(15) . .
Y2 K1 N1 C8B -147.5(14) 3_656 .
O2 K1 N1 Y1 -174.58(15) . .
N7 K1 N1 Y1 -94.9(3) 3_656 .
O1 K1 N1 Y1 102.70(15) . .
C15 K1 N1 Y1 -172.8(4) 3_656 .
C14 K1 N1 Y1 -111.25(17) 3_656 .
C8A K1 N1 Y1 119.8(13) . .
Y2 K1 N1 Y1 -10.45(12) . .
Y2 K1 N1 Y1 -35.5(2) 3_656 .
N3 Y1 N2 C9 146.4(4) . .
N1 Y1 N2 C9 -101.7(4) . .
N5 Y1 N2 C9 57.4(4) . .
N4 Y1 N2 C9 -161.9(4) . .
C11 Y1 N2 C9 82.5(4) . .
Y2 Y1 N2 C9 8.3(4) . .
K1 Y1 N2 C9 -62.5(4) . .
N3 Y1 N2 C3 25.1(3) . .
N1 Y1 N2 C3 136.9(3) . .
N5 Y1 N2 C3 -63.9(3) . .
N4 Y1 N2 C3 76.8(3) . .
C11 Y1 N2 C3 -38.8(4) . .
Y2 Y1 N2 C3 -113.0(3) . .
K1 Y1 N2 C3 176.1(3) . .
N3 Y1 N2 C2 -92.7(3) . .
N1 Y1 N2 C2 19.1(3) . .
N5 Y1 N2 C2 178.3(3) . .
N4 Y1 N2 C2 -41.0(3) . .
C11 Y1 N2 C2 -156.6(3) . .
Y2 Y1 N2 C2 129.2(3) . .
K1 Y1 N2 C2 58.4(3) . .
N1 Y1 N3 C4 -69.6(5) . .
N5 Y1 N3 C4 110.6(5) . .
N2 Y1 N3 C4 -2.5(4) . .
N4 Y1 N3 C4 -134.8(5) . .
C11 Y1 N3 C4 137.0(5) . .
Y2 Y1 N3 C4 109.0(5) . .
K1 Y1 N3 C4 -89.7(5) . .
N1 Y1 N3 C5A 94.6(9) . .
N5 Y1 N3 C5A -85.2(9) . .
N2 Y1 N3 C5A 161.7(9) . .
N4 Y1 N3 C5A 29.4(9) . .
C11 Y1 N3 C5A -58.8(9) . .
Y2 Y1 N3 C5A -86.8(9) . .
K1 Y1 N3 C5A 74.5(9) . .
N1 Y1 N3 C5B 63.8(8) . .
N5 Y1 N3 C5B -116.0(8) . .
N2 Y1 N3 C5B 131.0(8) . .
N4 Y1 N3 C5B -1.4(8) . .
C11 Y1 N3 C5B -89.6(8) . .
Y2 Y1 N3 C5B -117.6(8) . .
K1 Y1 N3 C5B 43.8(9) . .
N3 Y1 N4 C7B 122.5(11) . .
N1 Y1 N4 C7B 9.8(11) . .
N5 Y1 N4 C7B -149.0(11) . .
N2 Y1 N4 C7B 70.9(11) . .
C11 Y1 N4 C7B -149.8(11) . .
Y2 Y1 N4 C7B -99.0(11) . .
K1 Y1 N4 C7B -38.3(11) . .
N3 Y1 N4 C6A -28.1(8) . .
N1 Y1 N4 C6A -140.7(8) . .
N5 Y1 N4 C6A 60.5(8) . .
N2 Y1 N4 C6A -79.6(8) . .
C11 Y1 N4 C6A 59.6(8) . .
Y2 Y1 N4 C6A 110.5(8) . .
K1 Y1 N4 C6A 171.1(8) . .
N3 Y1 N4 C10A -157.7(8) . .
N1 Y1 N4 C10A 89.6(8) . .
N5 Y1 N4 C10A -69.2(8) . .
N2 Y1 N4 C10A 150.7(8) . .
C11 Y1 N4 C10A -70.1(8) . .
Y2 Y1 N4 C10A -19.2(8) . .
K1 Y1 N4 C10A 41.5(8) . .
N3 Y1 N4 C6B -2.2(9) . .
N1 Y1 N4 C6B -114.8(9) . .
N5 Y1 N4 C6B 86.3(9) . .
N2 Y1 N4 C6B -53.8(9) . .
C11 Y1 N4 C6B 85.5(9) . .
Y2 Y1 N4 C6B 136.3(9) . .
K1 Y1 N4 C6B -163.0(9) . .
N3 Y1 N4 C10B -114.6(8) . .
N1 Y1 N4 C10B 132.7(8) . .
N5 Y1 N4 C10B -26.1(8) . .
N2 Y1 N4 C10B -166.2(8) . .
C11 Y1 N4 C10B -26.9(8) . .
Y2 Y1 N4 C10B 23.9(8) . .
K1 Y1 N4 C10B 84.6(8) . .
N3 Y1 N4 C7A 87.8(5) . .
N1 Y1 N4 C7A -24.8(5) . .
N5 Y1 N4 C7A 176.4(5) . .
N2 Y1 N4 C7A 36.2(6) . .
C11 Y1 N4 C7A 175.5(5) . .
Y2 Y1 N4 C7A -133.7(5) . .
K1 Y1 N4 C7A -73.0(5) . .
N3 Y1 N5 C18 -60.9(4) . .
N1 Y1 N5 C18 119.6(5) . .
N2 Y1 N5 C18 9.9(4) . .
N4 Y1 N5 C18 -131.8(4) . .
C11 Y1 N5 C18 -130.0(5) . .
Y2 Y1 N5 C18 117.7(4) . .
K1 Y1 N5 C18 128.9(4) . .
N3 Y1 N5 C11 69.1(3) . .
N1 Y1 N5 C11 -110.5(4) . .
N2 Y1 N5 C11 139.8(3) . .
N4 Y1 N5 C11 -1.8(3) . .
Y2 Y1 N5 C11 -112.3(3) . .
K1 Y1 N5 C11 -101.2(3) . .
N3 Y1 N5 Y2 -178.57(14) . .
N1 Y1 N5 Y2 1.9(5) . .
N2 Y1 N5 Y2 -107.82(14) . .
N4 Y1 N5 Y2 110.53(15) . .
C11 Y1 N5 Y2 112.3(3) . .
K1 Y1 N5 Y2 11.17(13) . .
N7 Y2 N5 C18 43.2(3) . .
N6 Y2 N5 C18 109.8(3) . .
N8 Y2 N5 C18 -25.4(3) . .
Y1 Y2 N5 C18 -134.6(4) . .
K1 Y2 N5 C18 -145.0(3) . .
K1 Y2 N5 C18 33.1(4) 3_656 .
N7 Y2 N5 C11 -79.5(3) . .
N6 Y2 N5 C11 -12.9(3) . .
N8 Y2 N5 C11 -148.1(4) . .
Y1 Y2 N5 C11 102.6(4) . .
K1 Y2 N5 C11 92.3(3) . .
K1 Y2 N5 C11 -89.6(3) 3_656 .
N7 Y2 N5 Y1 177.84(13) . .
N6 Y2 N5 Y1 -115.54(15) . .
N8 Y2 N5 Y1 109.24(15) . .
K1 Y2 N5 Y1 -10.37(12) . .
K1 Y2 N5 Y1 167.75(4) 3_656 .
N7 Y2 N6 C19 -152.5(4) . .
N5 Y2 N6 C19 107.8(3) . .
N8 Y2 N6 C19 162.7(3) . .
Y1 Y2 N6 C19 69.2(3) . .
Y2 Y2 N6 C19 -63.0(3) 3_656 .
K1 Y2 N6 C19 9.1(3) . .
K1 Y2 N6 C19 -119.1(3) 3_656 .
N7 Y2 N6 C13 -32.9(3) . .
N5 Y2 N6 C13 -132.6(3) . .
N8 Y2 N6 C13 -77.7(3) . .
Y1 Y2 N6 C13 -171.3(3) . .
Y2 Y2 N6 C13 56.6(3) 3_656 .
K1 Y2 N6 C13 128.7(3) . .
K1 Y2 N6 C13 0.5(3) 3_656 .
N7 Y2 N6 C12 84.3(3) . .
N5 Y2 N6 C12 -15.3(3) . .
N8 Y2 N6 C12 39.6(4) . .
Y1 Y2 N6 C12 -54.0(3) . .
Y2 Y2 N6 C12 173.8(3) 3_656 .
K1 Y2 N6 C12 -114.1(3) . .
K1 Y2 N6 C12 117.7(3) 3_656 .
N5 Y2 N7 C15 -68.3(4) . .
N6 Y2 N7 C15 -139.2(4) . .
N8 Y2 N7 C15 2.8(4) . .
Y1 Y2 N7 C15 -66.1(4) . .
Y2 Y2 N7 C15 111.5(4) 3_656 .
K1 Y2 N7 C15 139.1(3) . .
K1 Y2 N7 C15 99.9(4) 3_656 .
N5 Y2 N7 C14 83.2(4) . .
N6 Y2 N7 C14 12.3(4) . .
N8 Y2 N7 C14 154.3(4) . .
Y1 Y2 N7 C14 85.3(4) . .
Y2 Y2 N7 C14 -97.1(4) 3_656 .
K1 Y2 N7 C14 -69.5(6) . .
K1 Y2 N7 C14 -108.6(4) 3_656 .
N5 Y2 N7 K1 -168.17(14) . 3_656
N6 Y2 N7 K1 120.93(17) . 3_656
N8 Y2 N7 K1 -97.11(16) . 3_656
Y1 Y2 N7 K1 -166.02(5) . 3_656
Y2 Y2 N7 K1 11.58(13) 3_656 3_656
K1 Y2 N7 K1 39.1(4) . 3_656
N7 Y2 N8 C20 139.3(4) . .
N5 Y2 N8 C20 -121.7(3) . .
N6 Y2 N8 C20 -176.6(3) . .
Y1 Y2 N8 C20 -81.0(3) . .
Y2 Y2 N8 C20 48.9(3) 3_656 .
K1 Y2 N8 C20 -26.4(4) . .
K1 Y2 N8 C20 98.9(3) 3_656 .
N7 Y2 N8 C16 20.1(3) . .
N5 Y2 N8 C16 119.1(3) . .
N6 Y2 N8 C16 64.1(3) . .
Y1 Y2 N8 C16 159.8(3) . .
Y2 Y2 N8 C16 -70.4(3) 3_656 .
K1 Y2 N8 C16 -145.6(3) . .
K1 Y2 N8 C16 -20.3(3) 3_656 .
N7 Y2 N8 C17 -100.8(3) . .
N5 Y2 N8 C17 -1.8(3) . .
N6 Y2 N8 C17 -56.8(3) . .
Y1 Y2 N8 C17 38.9(3) . .
Y2 Y2 N8 C17 168.7(3) 3_656 .
K1 Y2 N8 C17 93.5(3) . .
K1 Y2 N8 C17 -141.2(3) 3_656 .
O2 K1 O1 C24 27.1(5) . .
N1 K1 O1 C24 110.1(5) . .
N7 K1 O1 C24 -62.4(5) 3_656 .
C15 K1 O1 C24 -52.0(5) 3_656 .
C14 K1 O1 C24 -41.0(5) 3_656 .
C8A K1 O1 C24 102.9(7) . .
Y1 K1 O1 C24 150.2(5) . .
Y2 K1 O1 C24 -152.1(5) . .
Y2 K1 O1 C24 -94.4(5) 3_656 .
O2 K1 O1 C21 -178.2(5) . .
N1 K1 O1 C21 -95.2(5) . .
N7 K1 O1 C21 92.3(5) 3_656 .
C15 K1 O1 C21 102.7(5) 3_656 .
C14 K1 O1 C21 113.7(5) 3_656 .
C8A K1 O1 C21 -102.4(7) . .
Y1 K1 O1 C21 -55.1(5) . .
Y2 K1 O1 C21 2.6(5) . .
Y2 K1 O1 C21 60.3(5) 3_656 .
N1 K1 O2 C28A 104.0(16) . .
N7 K1 O2 C28A -51.3(16) 3_656 .
O1 K1 O2 C28A -154.0(16) . .
C15 K1 O2 C28A -75.4(16) 3_656 .
C14 K1 O2 C28A -31.4(16) 3_656 .
C8A K1 O2 C28A 127.3(17) . .
Y1 K1 O2 C28A 99.9(16) . .
Y2 K1 O2 C28A 23.4(17) . .
Y2 K1 O2 C28A -48.6(16) 3_656 .
N1 K1 O2 C28B 70.6(10) . .
N7 K1 O2 C28B -84.7(10) 3_656 .
O1 K1 O2 C28B 172.6(10) . .
C15 K1 O2 C28B -108.8(10) 3_656 .
C14 K1 O2 C28B -64.8(10) 3_656 .
C8A K1 O2 C28B 93.9(11) . .
Y1 K1 O2 C28B 66.5(10) . .
Y2 K1 O2 C28B -10.0(11) . .
Y2 K1 O2 C28B -82.0(10) 3_656 .
N1 K1 O2 C25A -41.2(19) . .
N7 K1 O2 C25A 163.5(19) 3_656 .
O1 K1 O2 C25A 60.8(19) . .
C15 K1 O2 C25A 139.4(19) 3_656 .
C14 K1 O2 C25A -176.6(19) 3_656 .
C8A K1 O2 C25A -18(2) . .
Y1 K1 O2 C25A -45.3(19) . .
Y2 K1 O2 C25A -121.8(19) . .
Y2 K1 O2 C25A 166.2(19) 3_656 .
N1 K1 O2 C25B -72.2(7) . .
N7 K1 O2 C25B 132.5(7) 3_656 .
O1 K1 O2 C25B 29.9(7) . .
C15 K1 O2 C25B 108.4(7) 3_656 .
C14 K1 O2 C25B 152.5(7) 3_656 .
C8A K1 O2 C25B -48.9(8) . .
Y1 K1 O2 C25B -76.2(7) . .
Y2 K1 O2 C25B -152.8(6) . .
Y2 K1 O2 C25B 135.2(6) 3_656 .
C8A N1 C1 C2 100.5(11) . .
C8B N1 C1 C2 79.8(13) . .
Y1 N1 C1 C2 -39.9(6) . .
K1 N1 C1 C2 -141.3(4) . .
C9 N2 C2 C1 82.3(5) . .
C3 N2 C2 C1 -157.8(4) . .
Y1 N2 C2 C1 -45.4(5) . .
N1 C1 C2 N2 62.0(6) . .
C9 N2 C3 C4 -174.1(4) . .
C2 N2 C3 C4 65.2(6) . .
Y1 N2 C3 C4 -45.4(5) . .
C5A N3 C4 C3 175.0(9) . .
C5B N3 C4 C3 -160.7(8) . .
Y1 N3 C4 C3 -21.1(7) . .
N2 C3 C4 N3 46.3(7) . .
C4 N3 C5A C6A 137.7(11) . .
C5B N3 C5A C6A 76(2) . .
Y1 N3 C5A C6A -27.2(16) . .
C7B N4 C6A C5A -111.2(19) . .
C10A N4 C6A C5A 158.1(13) . .
C6B N4 C6A C5A -64(3) . .
C10B N4 C6A C5A 139.8(16) . .
C7A N4 C6A C5A -82.9(16) . .
Y1 N4 C6A C5A 25.6(16) . .
N3 C5A C6A N4 -3(2) . .
C7B N4 C7A C8A -51.6(16) . .
C6A N4 C7A C8A 164.1(15) . .
C10A N4 C7A C8A -72.0(14) . .
C6B N4 C7A C8A 156.1(16) . .
C10B N4 C7A C8A -97.4(17) . .
Y1 N4 C7A C8A 52.0(13) . .
C1 N1 C8A C7A -104.9(18) . .
C8B N1 C8A C7A -32(6) . .
Y1 N1 C8A C7A 32(2) . .
K1 N1 C8A C7A 128.5(14) . .
C1 N1 C8A K1 126.5(8) . .
C8B N1 C8A K1 -160(7) . .
Y1 N1 C8A K1 -96.3(6) . .
N4 C7A C8A N1 -58.6(19) . .
N4 C7A C8A K1 0(2) . .
O2 K1 C8A N1 -110.1(13) . .
N7 K1 C8A N1 -104.3(16) 3_656 .
O1 K1 C8A N1 162.9(13) . .
C15 K1 C8A N1 -151.1(6) 3_656 .
C14 K1 C8A N1 -74.9(14) 3_656 .
Y1 K1 C8A N1 42.0(9) . .
Y2 K1 C8A N1 53.5(13) . .
Y2 K1 C8A N1 58(3) 3_656 .
O2 K1 C8A C7A 166(2) . .
N1 K1 C8A C7A -83.7(19) . .
N7 K1 C8A C7A 172.0(8) 3_656 .
O1 K1 C8A C7A 79.2(19) . .
C15 K1 C8A C7A 125.3(15) 3_656 .
C14 K1 C8A C7A -158.6(15) 3_656 .
Y1 K1 C8A C7A -41.6(16) . .
Y2 K1 C8A C7A -30(2) . .
Y2 K1 C8A C7A -26(3) 3_656 .
C4 N3 C5B C6B 147.3(16) . .
C5A N3 C5B C6B -85(3) . .
Y1 N3 C5B C6B 6.2(19) . .
N3 C5B C6B N4 -10(3) . .
C7B N4 C6B C5B -110(2) . .
C6A N4 C6B C5B 106(4) . .
C10A N4 C6B C5B 159.0(18) . .
C10B N4 C6B C5B 129(2) . .
C7A N4 C6B C5B -93(2) . .
Y1 N4 C6B C5B 8(2) . .
C6A N4 C7B C8B 100(2) . .
C10A N4 C7B C8B -152(2) . .
C6B N4 C7B C8B 80(2) . .
C10B N4 C7B C8B -163(2) . .
C7A N4 C7B C8B 48(2) . .
Y1 N4 C7B C8B -36(2) . .
N4 C7B C8B N1 58(3) . .
C1 N1 C8B C7B -165.2(18) . .
C8A N1 C8B C7B 80(7) . .
Y1 N1 C8B C7B -44(2) . .
K1 N1 C8B C7B 58(3) . .
C18 N5 C11 C12 -80.8(5) . .
Y1 N5 C11 C12 137.8(4) . .
Y2 N5 C11 C12 40.8(5) . .
C18 N5 C11 Y1 141.4(4) . .
Y2 N5 C11 Y1 -97.0(2) . .
N3 Y1 C11 N5 -111.9(3) . .
N1 Y1 C11 N5 134.1(4) . .
N2 Y1 C11 N5 -54.5(3) . .
N4 Y1 C11 N5 178.4(3) . .
Y2 Y1 C11 N5 48.1(2) . .
K1 Y1 C11 N5 89.3(3) . .
N3 Y1 C11 C12 169.3(6) . .
N1 Y1 C11 C12 55.3(8) . .
N5 Y1 C11 C12 -78.8(6) . .
N2 Y1 C11 C12 -133.3(6) . .
N4 Y1 C11 C12 99.6(6) . .
Y2 Y1 C11 C12 -30.6(6) . .
K1 Y1 C11 C12 10.5(7) . .
C19 N6 C12 C11 -85.8(5) . .
C13 N6 C12 C11 154.6(4) . .
Y2 N6 C12 C11 41.3(5) . .
N5 C11 C12 N6 -58.0(6) . .
Y1 C11 C12 N6 -2.1(9) . .
C19 N6 C13 C14 176.7(4) . .
C12 N6 C13 C14 -62.6(5) . .
Y2 N6 C13 C14 51.8(4) . .
C15 N7 C14 C13 165.0(4) . .
Y2 N7 C14 C13 10.7(6) . .
K1 N7 C14 C13 -105.2(4) 3_656 .
C15 N7 C14 K1 -89.8(4) . 3_656
Y2 N7 C14 K1 115.9(3) . 3_656
N6 C13 C14 N7 -44.0(6) . .
N6 C13 C14 K1 -108.4(4) . 3_656
C14 N7 C15 C16 -179.6(4) . .
Y2 N7 C15 C16 -25.0(6) . .
K1 N7 C15 C16 86.2(4) 3_656 .
C14 N7 C15 K1 94.3(4) . 3_656
Y2 N7 C15 K1 -111.2(3) . 3_656
C20 N8 C16 C15 -166.1(4) . .
C17 N8 C16 C15 74.8(5) . .
Y2 N8 C16 C15 -41.4(5) . .
N7 C15 C16 N8 45.3(6) . .
K1 C15 C16 N8 110.3(4) 3_656 .
C20 N8 C17 C18 154.4(4) . .
C16 N8 C17 C18 -87.0(5) . .
Y2 N8 C17 C18 29.6(5) . .
C11 N5 C18 C17 174.1(4) . .
Y1 N5 C18 C17 -59.6(6) . .
Y2 N5 C18 C17 51.1(5) . .
N8 C17 C18 N5 -56.9(6) . .
C24 O1 C21 C22 10.0(9) . .
K1 O1 C21 C22 -149.2(6) . .
O1 C21 C22 C23 -21.9(11) . .
C21 C22 C23 C24 24.3(11) . .
C21 O1 C24 C23 4.8(8) . .
K1 O1 C24 C23 162.3(5) . .
C22 C23 C24 O1 -17.5(9) . .
C28A O2 C25A C26A 2(4) . .
C28B O2 C25A C26A 36(4) . .
C25B O2 C25A C26A -79(4) . .
K1 O2 C25A C26A 159(3) . .
O2 C25A C26A C27A 2(4) . .
C25A C26A C27A C28A -5(3) . .
C28B O2 C28A C27A -89(3) . .
C25A O2 C28A C27A -6(2) . .
C25B O2 C28A C27A 24.5(16) . .
K1 O2 C28A C27A -152.3(13) . .
C26A C27A C28A O2 7(2) . .
C28A O2 C25B C26B -23.2(16) . .
C28B O2 C25B C26B 9.4(17) . .
C25A O2 C25B C26B 82(3) . .
K1 O2 C25B C26B 154.1(9) . .
O2 C25B C26B C27B -26.0(19) . .
C25B C26B C27B C28B 31(2) . .
C28A O2 C28B C27B 84(3) . .
C25A O2 C28B C27B -20.0(19) . .
C25B O2 C28B C27B 9.4(18) . .
K1 O2 C28B C27B -137.8(12) . .
C26B C27B C28B O2 -26(2) . .
