#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007565.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_7007565
loop_
_publ_author_name
'Hebden, Travis J.'
'Brennessel, William W.'
'Flaschenriem, Christine J.'
'Holland, Patrick L.'
_publ_section_title
;
 A dinucleating ligand related to the beta-diketiminates.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3855
_journal_page_last               3857
_journal_paper_doi               10.1039/b607440e
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C88 H116 K4 N8, C4 H10 O'
_chemical_formula_sum            'C92 H126 K4 N8 O'
_chemical_formula_weight         1516.41
_chemical_name_common            holph18
_chemical_name_systematic
;
?
;
_space_group_IT_number           154
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   14.1939(7)
_cell_length_b                   14.1939(7)
_cell_length_c                   37.812(4)
_cell_measurement_reflns_used    3946
_cell_measurement_temperature    223.0(5)
_cell_measurement_theta_max      24.04
_cell_measurement_theta_min      2.72
_cell_volume                     6597.3(8)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'APEX2, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97, CNR-IC'
_diffrn_ambient_temperature      223.0(5)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_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  0.0562
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            64605
_diffrn_reflns_theta_full        30.49
_diffrn_reflns_theta_max         30.49
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.251
_exptl_absorpt_correction_T_max  0.9851
_exptl_absorpt_correction_T_min  0.9239
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_F_000             2454
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details
'Flack H D (1983), 5870 Friedel pairs, Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         13293
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1051
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0709P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1370
_reflns_number_gt                8093
_reflns_number_total             13293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607440e.txt
_cod_data_source_block           2
_cod_original_cell_volume        6597.2(8)
_cod_database_code               7007565
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'x-y, -y, -z+1/3'
'-x, -x+y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.35450(4) 0.46999(4) -0.053193(13) 0.04401(12) Uani 1 1 d . A .
K2 K 0.21844(5) 0.21844(5) 0.0000 0.05010(19) Uani 1 2 d S . .
K3 K 0.60689(5) 0.60689(5) 0.0000 0.04530(17) Uani 1 2 d S A .
N1 N 0.25274(14) 0.20047(14) 0.07030(4) 0.0383(4) Uani 1 1 d . A .
N2 N 0.31670(14) 0.41907(14) 0.03360(5) 0.0411(4) Uani 1 1 d . A .
N3 N 0.39355(15) 0.52163(14) 0.02156(5) 0.0414(4) Uani 1 1 d . . .
N4 N 0.50372(15) 0.69003(14) -0.04123(5) 0.0406(4) Uani 1 1 d . . .
C1 C 0.16487(16) 0.20824(19) 0.07740(5) 0.0428(5) Uani 1 1 d . A .
C2 C 0.15759(19) 0.2985(2) 0.06808(6) 0.0507(6) Uani 1 1 d . A .
H2A H 0.0871 0.2885 0.0701 0.061 Uiso 1 1 calc R . .
C3 C 0.23798(17) 0.40573(19) 0.05575(6) 0.0420(5) Uani 1 1 d . A .
C4 C 0.22859(19) 0.4987(2) 0.06687(6) 0.0468(5) Uani 1 1 d . . .
C5 C 0.1477(2) 0.4909(3) 0.09016(7) 0.0661(7) Uani 1 1 d . A .
H5A H 0.0980 0.4231 0.1000 0.079 Uiso 1 1 calc R . .
C6 C 0.1403(3) 0.5798(3) 0.09865(9) 0.0861(10) Uani 1 1 d . . .
H6A H 0.0855 0.5729 0.1142 0.103 Uiso 1 1 calc R A .
C7 C 0.2125(3) 0.6801(3) 0.08470(9) 0.0900(11) Uani 1 1 d . A .
H7A H 0.2054 0.7406 0.0904 0.108 Uiso 1 1 calc R . .
C8 C 0.2949(3) 0.6931(3) 0.06255(8) 0.0727(8) Uani 1 1 d . . .
H8A H 0.3442 0.7621 0.0534 0.087 Uiso 1 1 calc R A .
C9 C 0.3047(2) 0.6017(2) 0.05364(6) 0.0473(5) Uani 1 1 d . A .
C10 C 0.39140(19) 0.61054(18) 0.03071(5) 0.0422(5) Uani 1 1 d . A .
C11 C 0.4760(2) 0.71803(18) 0.01912(6) 0.0473(5) Uani 1 1 d . . .
H11A H 0.5046 0.7704 0.0372 0.057 Uiso 1 1 calc R A .
C12 C 0.52173(18) 0.75649(17) -0.01388(6) 0.0436(5) Uani 1 1 d . A .
C13 C 0.05635(19) 0.1112(2) 0.09271(7) 0.0635(7) Uani 1 1 d . . .
C14 C 0.0680(2) 0.0219(3) 0.10951(9) 0.0804(10) Uani 1 1 d . A .
H14A H -0.0026 -0.0353 0.1174 0.121 Uiso 1 1 calc R . .
H14B H 0.1169 0.0507 0.1296 0.121 Uiso 1 1 calc R . .
H14C H 0.0974 -0.0075 0.0924 0.121 Uiso 1 1 calc R . .
C15 C 0.0056(3) 0.1497(3) 0.12127(10) 0.1056(14) Uani 1 1 d . A .
H15A H -0.0480 0.0875 0.1346 0.158 Uiso 1 1 calc R . .
H15B H -0.0293 0.1858 0.1101 0.158 Uiso 1 1 calc R . .
H15C H 0.0621 0.2001 0.1371 0.158 Uiso 1 1 calc R . .
C16 C -0.0225(3) 0.0641(3) 0.06173(10) 0.1163(17) Uani 1 1 d . A .
H16A H -0.0928 0.0076 0.0702 0.174 Uiso 1 1 calc R . .
H16B H 0.0055 0.0335 0.0446 0.174 Uiso 1 1 calc R . .
H16C H -0.0306 0.1213 0.0506 0.174 Uiso 1 1 calc R . .
C17 C 0.6089(2) 0.88091(18) -0.01539(8) 0.0582(7) Uani 1 1 d . . .
C18 C 0.6398(3) 0.9281(2) -0.05217(10) 0.0926(12) Uani 1 1 d . A .
H18A H 0.6942 1.0046 -0.0506 0.139 Uiso 1 1 calc R . .
H18B H 0.5759 0.9200 -0.0642 0.139 Uiso 1 1 calc R . .
H18C H 0.6692 0.8898 -0.0653 0.139 Uiso 1 1 calc R . .
C19 C 0.5719(4) 0.9504(3) 0.00454(14) 0.1386(19) Uani 1 1 d . A .
H19A H 0.6238 1.0268 0.0007 0.208 Uiso 1 1 calc R . .
H19B H 0.5676 0.9345 0.0296 0.208 Uiso 1 1 calc R . .
H19C H 0.5009 0.9342 -0.0040 0.208 Uiso 1 1 calc R . .
C20 C 0.7117(3) 0.8908(3) 0.00134(12) 0.1096(15) Uani 1 1 d . A .
H20A H 0.7688 0.9665 0.0015 0.164 Uiso 1 1 calc R . .
H20B H 0.7355 0.8485 -0.0123 0.164 Uiso 1 1 calc R . .
H20C H 0.6961 0.8636 0.0254 0.164 Uiso 1 1 calc R . .
C21 C 0.29624(17) 0.14724(18) 0.09005(6) 0.0409(5) Uani 1 1 d . . .
C22 C 0.32321(19) 0.07620(19) 0.07326(6) 0.0489(5) Uani 1 1 d . A .
C23 C 0.3842(2) 0.0390(3) 0.09117(8) 0.0668(8) Uani 1 1 d . . .
H23A H 0.4030 -0.0078 0.0795 0.080 Uiso 1 1 calc R A .
C24 C 0.4172(3) 0.0693(3) 0.12527(8) 0.0863(11) Uani 1 1 d . A .
H24A H 0.4588 0.0442 0.1370 0.104 Uiso 1 1 calc R . .
C25 C 0.3887(3) 0.1362(3) 0.14196(7) 0.0825(10) Uani 1 1 d . . .
H25A H 0.4107 0.1555 0.1656 0.099 Uiso 1 1 calc R A .
C26 C 0.3290(2) 0.1773(2) 0.12605(6) 0.0545(6) Uani 1 1 d . A .
C27 C 0.3030(2) 0.2550(3) 0.14554(6) 0.0641(8) Uani 1 1 d . . .
H27A H 0.2340 0.2445 0.1355 0.077 Uiso 1 1 calc R A .
C28 C 0.2841(3) 0.2333(3) 0.18505(7) 0.0873(11) Uani 1 1 d . A .
H28A H 0.2312 0.1573 0.1889 0.131 Uiso 1 1 calc R . .
H28B H 0.2571 0.2784 0.1949 0.131 Uiso 1 1 calc R . .
H28C H 0.3521 0.2506 0.1965 0.131 Uiso 1 1 calc R . .
C29 C 0.3873(4) 0.3718(3) 0.13917(10) 0.1050(13) Uani 1 1 d . A .
H29A H 0.3871 0.3891 0.1144 0.158 Uiso 1 1 calc R . .
H29B H 0.4584 0.3833 0.1456 0.158 Uiso 1 1 calc R . .
H29C H 0.3707 0.4184 0.1534 0.158 Uiso 1 1 calc R . .
C30 C 0.2883(3) 0.0381(2) 0.03553(8) 0.0655(7) Uani 0.625(5) 1 d PD A 1
H30A H 0.2397 0.0655 0.0278 0.079 Uiso 0.625(5) 1 calc PR A 1
C31 C 0.3740(5) 0.0733(5) 0.01021(15) 0.0730(14) Uani 0.625(5) 1 d PD A 1
H31A H 0.3440 0.0401 -0.0125 0.109 Uiso 0.625(5) 1 calc PR A 1
H31B H 0.4258 0.0519 0.0180 0.109 Uiso 0.625(5) 1 calc PR A 1
H31C H 0.4105 0.1519 0.0080 0.109 Uiso 0.625(5) 1 calc PR A 1
C32 C 0.2175(5) -0.0933(4) 0.03608(16) 0.0909(14) Uani 0.625(5) 1 d PD A 1
H32A H 0.1613 -0.1166 0.0540 0.136 Uiso 0.625(5) 1 calc PR A 1
H32B H 0.2646 -0.1226 0.0415 0.136 Uiso 0.625(5) 1 calc PR A 1
H32C H 0.1841 -0.1195 0.0131 0.136 Uiso 0.625(5) 1 calc PR A 1
C30' C 0.2883(3) 0.0381(2) 0.03553(8) 0.0655(7) Uani 0.375(5) 1 d PD A 5
H30B H 0.2999 0.1072 0.0252 0.079 Uiso 0.375(5) 1 calc PR A 5
C31' C 0.3722(9) 0.0250(9) 0.0140(3) 0.0730(14) Uani 0.375(5) 1 d PD A 5
H31D H 0.4444 0.0855 0.0188 0.109 Uiso 0.375(5) 1 calc PR A 5
H31E H 0.3563 0.0237 -0.0110 0.109 Uiso 0.375(5) 1 calc PR A 5
H31F H 0.3692 -0.0426 0.0205 0.109 Uiso 0.375(5) 1 calc PR A 5
C32' C 0.1795(7) -0.0303(7) 0.0252(3) 0.0909(14) Uani 0.375(5) 1 d PD A 5
H32D H 0.1769 -0.0460 0.0001 0.136 Uiso 0.375(5) 1 calc PR A 5
H32E H 0.1379 0.0056 0.0298 0.136 Uiso 0.375(5) 1 calc PR A 5
H32F H 0.1488 -0.0977 0.0385 0.136 Uiso 0.375(5) 1 calc PR A 5
C33 C 0.49412(18) 0.71157(17) -0.07694(6) 0.0434(5) Uani 1 1 d . A .
C34 C 0.4127(2) 0.73522(19) -0.08830(7) 0.0531(6) Uani 1 1 d . . .
C35 C 0.3966(3) 0.7404(3) -0.12452(9) 0.0750(8) Uani 1 1 d . A .
H35A H 0.3435 0.7569 -0.1321 0.090 Uiso 1 1 calc R . .
C36 C 0.4560(3) 0.7221(3) -0.14916(8) 0.0835(10) Uani 1 1 d . . .
H36A H 0.4418 0.7241 -0.1733 0.100 Uiso 1 1 calc R A .
C37 C 0.5367(3) 0.7009(3) -0.13878(7) 0.0696(8) Uani 1 1 d . A .
H37A H 0.5783 0.6899 -0.1559 0.083 Uiso 1 1 calc R . .
C38 C 0.5566(2) 0.6956(2) -0.10283(7) 0.0518(6) Uani 1 1 d . . .
C39 C 0.6497(2) 0.6776(3) -0.09242(7) 0.0678(8) Uani 1 1 d . A .
H39A H 0.6589 0.6878 -0.0665 0.081 Uiso 1 1 calc R . .
C40 C 0.6300(3) 0.5669(3) -0.10031(11) 0.0922(11) Uani 1 1 d . . .
H40A H 0.5636 0.5134 -0.0887 0.138 Uiso 1 1 calc R A .
H40B H 0.6906 0.5599 -0.0917 0.138 Uiso 1 1 calc R . .
H40C H 0.6230 0.5549 -0.1257 0.138 Uiso 1 1 calc R . .
C41 C 0.7574(3) 0.7617(3) -0.10941(16) 0.1291(17) Uani 1 1 d . . .
H41A H 0.8171 0.7587 -0.0981 0.194 Uiso 1 1 calc R A .
H41B H 0.7669 0.8338 -0.1065 0.194 Uiso 1 1 calc R . .
H41C H 0.7563 0.7457 -0.1344 0.194 Uiso 1 1 calc R . .
C42 C 0.3425(2) 0.7535(2) -0.06201(8) 0.0627(7) Uani 1 1 d . A .
H42A H 0.3902 0.7926 -0.0417 0.075 Uiso 1 1 calc R . .
C43 C 0.2519(3) 0.6493(3) -0.04753(11) 0.0933(11) Uani 1 1 d . . .
H43A H 0.2820 0.6110 -0.0348 0.140 Uiso 1 1 calc R A .
H43B H 0.2069 0.6043 -0.0668 0.140 Uiso 1 1 calc R . .
H43C H 0.2081 0.6651 -0.0316 0.140 Uiso 1 1 calc R . .
C44 C 0.2984(4) 0.8252(3) -0.07556(11) 0.1001(12) Uani 1 1 d . . .
H44A H 0.3568 0.8897 -0.0866 0.150 Uiso 1 1 calc R A .
H44B H 0.2691 0.8464 -0.0559 0.150 Uiso 1 1 calc R . .
H44C H 0.2414 0.7851 -0.0928 0.150 Uiso 1 1 calc R . .
C45 C 0.580(2) -0.0815(19) 0.1108(5) 0.129(4) Uani 0.272(7) 1 d PD B -1
H45A H 0.6162 -0.0978 0.0919 0.194 Uiso 0.272(7) 1 calc PR B -1
H45B H 0.5461 -0.0426 0.1012 0.194 Uiso 0.272(7) 1 calc PR B -1
H45C H 0.5255 -0.1488 0.1216 0.194 Uiso 0.272(7) 1 calc PR B -1
C46 C 0.6528(17) -0.021(3) 0.1349(6) 0.173(5) Uani 0.272(7) 1 d PD B -1
H46A H 0.6948 0.0534 0.1256 0.207 Uiso 0.272(7) 1 calc PR B -1
H46B H 0.7034 -0.0481 0.1381 0.207 Uiso 0.272(7) 1 calc PR B -1
O1 O 0.6123(19) -0.015(3) 0.1690(8) 0.173(5) Uani 0.272(7) 1 d PD B -1
C47 C 0.6912(19) 0.095(2) 0.1789(7) 0.173(5) Uani 0.272(7) 1 d PD B -1
H47A H 0.7558 0.0956 0.1883 0.207 Uiso 0.272(7) 1 calc PR B -1
H47B H 0.7134 0.1406 0.1576 0.207 Uiso 0.272(7) 1 calc PR B -1
C48 C 0.656(2) 0.140(2) 0.2031(7) 0.129(4) Uani 0.272(7) 1 d PD B -1
H48A H 0.7178 0.2014 0.2142 0.194 Uiso 0.272(7) 1 calc PR B -1
H48B H 0.6134 0.0863 0.2210 0.194 Uiso 0.272(7) 1 calc PR B -1
H48C H 0.6109 0.1646 0.1916 0.194 Uiso 0.272(7) 1 calc PR B -1
C45' C 0.643(2) -0.026(2) 0.1143(6) 0.129(4) Uani 0.228(7) 1 d PD B -5
H45D H 0.6953 -0.0336 0.0998 0.194 Uiso 0.228(7) 1 calc PR B -5
H45E H 0.6220 0.0213 0.1025 0.194 Uiso 0.228(7) 1 calc PR B -5
H45F H 0.5794 -0.0969 0.1180 0.194 Uiso 0.228(7) 1 calc PR B -5
C46' C 0.690(2) 0.019(3) 0.1466(7) 0.173(5) Uani 0.228(7) 1 d PD B -5
H46C H 0.7484 0.0937 0.1432 0.207 Uiso 0.228(7) 1 calc PR B -5
H46D H 0.7210 -0.0230 0.1569 0.207 Uiso 0.228(7) 1 calc PR B -5
O1' O 0.610(3) 0.017(4) 0.1701(11) 0.173(5) Uani 0.228(7) 1 d PD B -5
C47' C 0.676(3) 0.105(3) 0.1931(9) 0.173(5) Uani 0.228(7) 1 d PD B -5
H47C H 0.6857 0.0747 0.2153 0.207 Uiso 0.228(7) 1 calc PR B -5
H47D H 0.7481 0.1478 0.1823 0.207 Uiso 0.228(7) 1 calc PR B -5
C48' C 0.638(3) 0.173(2) 0.2011(8) 0.129(4) Uani 0.228(7) 1 d PD B -5
H48D H 0.6462 0.1881 0.2262 0.194 Uiso 0.228(7) 1 calc PR B -5
H48E H 0.5616 0.1383 0.1947 0.194 Uiso 0.228(7) 1 calc PR B -5
H48F H 0.6786 0.2398 0.1879 0.194 Uiso 0.228(7) 1 calc PR B -5
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'
K K 0.2009 0.2494 '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
_geom_angle_publ_flag
N4 K1 N1 175.61(5) . 4 ?
N4 K1 N2 117.22(5) . 4 ?
N1 K1 N2 66.08(5) 4 4 ?
N4 K1 N3 67.57(5) . . ?
N1 K1 N3 116.42(5) 4 . ?
N2 K1 N3 81.14(5) 4 . ?
N4 K1 C21 148.93(6) . 4 ?
N1 K1 C21 27.19(5) 4 4 ?
N2 K1 C21 92.84(5) 4 4 ?
N3 K1 C21 129.06(6) . 4 ?
N4 K1 C33 26.84(5) . . ?
N1 K1 C33 148.85(6) 4 . ?
N2 K1 C33 130.19(6) 4 . ?
N3 K1 C33 93.82(6) . . ?
C21 K1 C33 125.48(6) 4 . ?
N4 K1 N3 92.36(5) . 4 ?
N1 K1 N3 90.89(5) 4 4 ?
N2 K1 N3 24.86(5) 4 4 ?
N3 K1 N3 69.57(5) . 4 ?
C21 K1 N3 117.38(5) 4 4 ?
C33 K1 N3 107.54(5) . 4 ?
N4 K1 N2 91.87(5) . . ?
N1 K1 N2 92.06(5) 4 . ?
N2 K1 N2 70.01(5) 4 . ?
N3 K1 N2 24.38(5) . . ?
C21 K1 N2 106.62(5) 4 . ?
C33 K1 N2 117.76(5) . . ?
N3 K1 N2 68.66(4) 4 . ?
N4 K1 C22 134.22(5) . 4 ?
N1 K1 C22 43.44(5) 4 4 ?
N2 K1 C22 107.43(5) 4 4 ?
N3 K1 C22 112.15(6) . 4 ?
C21 K1 C22 23.34(6) 4 4 ?
C33 K1 C22 119.97(6) . 4 ?
N3 K1 C22 131.85(5) 4 4 ?
N2 K1 C22 94.17(5) . 4 ?
N4 K1 C29 112.52(8) . 4 ?
N1 K1 C29 64.36(8) 4 4 ?
N2 K1 C29 83.24(9) 4 4 ?
N3 K1 C29 161.95(8) . 4 ?
C21 K1 C29 60.62(8) 4 4 ?
C33 K1 C29 89.37(9) . 4 ?
N3 K1 C29 92.52(8) 4 4 ?
N2 K1 C29 150.19(9) . 4 ?
C22 K1 C29 81.19(8) 4 4 ?
N4 K1 K2 136.84(4) . . ?
N1 K1 K2 47.42(3) 4 . ?
N2 K1 K2 48.10(4) 4 . ?
N3 K1 K2 69.83(4) . . ?
C21 K1 K2 69.06(4) 4 . ?
C33 K1 K2 163.59(5) . . ?
N3 K1 K2 66.26(3) 4 . ?
N2 K1 K2 46.11(3) . . ?
C22 K1 K2 69.76(4) 4 . ?
C29 K1 K2 105.76(8) 4 . ?
N4 K1 K3 48.11(4) . . ?
N1 K1 K3 135.73(4) 4 . ?
N2 K1 K3 70.31(4) 4 . ?
N3 K1 K3 47.60(4) . . ?
C21 K1 K3 162.92(4) 4 . ?
C33 K1 K3 70.27(4) . . ?
N3 K1 K3 46.11(3) 4 . ?
N2 K1 K3 65.72(3) . . ?
C22 K1 K3 159.56(4) 4 . ?
C29 K1 K3 117.93(6) 4 . ?
K2 K1 K3 96.470(16) . . ?
N1 K2 N1 175.15(8) . 4 ?
N1 K2 N2 68.25(5) . . ?
N1 K2 N2 107.81(5) 4 . ?
N1 K2 N2 107.81(5) . 4 ?
N1 K2 N2 68.25(5) 4 4 ?
N2 K2 N2 80.27(7) . 4 ?
N1 K2 C1 155.41(6) . 4 ?
N1 K2 C1 26.29(5) 4 4 ?
N2 K2 C1 129.85(5) . 4 ?
N2 K2 C1 65.75(6) 4 4 ?
N1 K2 C1 26.29(5) . . ?
N1 K2 C1 155.41(6) 4 . ?
N2 K2 C1 65.75(6) . . ?
N2 K2 C1 129.85(5) 4 . ?
C1 K2 C1 162.70(9) 4 . ?
N1 K2 C2 47.48(6) . . ?
N1 K2 C2 132.23(6) 4 . ?
N2 K2 C2 48.23(6) . . ?
N2 K2 C2 126.80(6) 4 . ?
C1 K2 C2 155.72(6) 4 . ?
C1 K2 C2 26.06(6) . . ?
N1 K2 C2 132.23(6) . 4 ?
N1 K2 C2 47.48(6) 4 4 ?
N2 K2 C2 126.80(6) . 4 ?
N2 K2 C2 48.23(6) 4 4 ?
C1 K2 C2 26.06(6) 4 4 ?
C1 K2 C2 155.72(6) . 4 ?
C2 K2 C2 174.97(10) . 4 ?
N1 K2 C3 60.44(5) . . ?
N1 K2 C3 117.11(5) 4 . ?
N2 K2 C3 23.41(5) . . ?
N2 K2 C3 103.67(6) 4 . ?
C1 K2 C3 143.17(5) 4 . ?
C1 K2 C3 48.22(6) . . ?
C2 K2 C3 25.95(6) . . ?
C2 K2 C3 149.32(6) 4 . ?
N1 K2 C3 117.11(5) . 4 ?
N1 K2 C3 60.44(5) 4 4 ?
N2 K2 C3 103.67(6) . 4 ?
N2 K2 C3 23.41(5) 4 4 ?
C1 K2 C3 48.21(6) 4 4 ?
C1 K2 C3 143.17(5) . 4 ?
C2 K2 C3 149.32(6) . 4 ?
C2 K2 C3 25.95(6) 4 4 ?
C3 K2 C3 127.08(8) . 4 ?
N1 K2 C32' 118.16(18) . 4 ?
N1 K2 C32' 65.07(17) 4 4 ?
N2 K2 C32' 103.97(17) . 4 ?
N2 K2 C32' 132.08(16) 4 4 ?
C1 K2 C32' 76.90(19) 4 4 ?
C1 K2 C32' 92.71(18) . 4 ?
C2 K2 C32' 80.59(19) . 4 ?
C2 K2 C32' 102.47(19) 4 4 ?
C3 K2 C32' 88.40(18) . 4 ?
C3 K2 C32' 124.00(18) 4 4 ?
N3 K3 N3 79.83(7) . 4 ?
N3 K3 N4 105.38(5) . 4 ?
N3 K3 N4 69.88(5) 4 4 ?
N3 K3 N4 69.89(5) . . ?
N3 K3 N4 105.38(5) 4 . ?
N4 K3 N4 174.12(8) 4 . ?
N3 K3 C12 128.31(6) . 4 ?
N3 K3 C12 67.44(6) 4 4 ?
N4 K3 C12 26.62(6) 4 4 ?
N4 K3 C12 155.47(6) . 4 ?
N3 K3 C12 67.44(6) . . ?
N3 K3 C12 128.31(6) 4 . ?
N4 K3 C12 155.48(6) 4 . ?
N4 K3 C12 26.62(6) . . ?
C12 K3 C12 162.28(9) 4 . ?
N3 K3 C11 48.87(6) . . ?
N3 K3 C11 125.99(6) 4 . ?
N4 K3 C11 131.80(6) 4 . ?
N4 K3 C11 47.84(6) . . ?
C12 K3 C11 155.37(6) 4 . ?
C12 K3 C11 26.50(6) . . ?
N3 K3 C11 125.99(6) . 4 ?
N3 K3 C11 48.87(6) 4 4 ?
N4 K3 C11 47.84(6) 4 4 ?
N4 K3 C11 131.79(6) . 4 ?
C12 K3 C11 26.50(6) 4 4 ?
C12 K3 C11 155.36(6) . 4 ?
C11 K3 C11 174.76(9) . 4 ?
N3 K3 C10 23.16(5) . . ?
N3 K3 C10 102.69(6) 4 . ?
N4 K3 C10 116.96(5) 4 . ?
N4 K3 C10 59.99(5) . . ?
C12 K3 C10 143.37(6) 4 . ?
C12 K3 C10 48.55(6) . . ?
C11 K3 C10 26.21(6) . . ?
C11 K3 C10 148.82(6) 4 . ?
N3 K3 C10 102.69(6) . 4 ?
N3 K3 C10 23.16(5) 4 4 ?
N4 K3 C10 59.99(5) 4 4 ?
N4 K3 C10 116.95(5) . 4 ?
C12 K3 C10 48.56(6) 4 4 ?
C12 K3 C10 143.36(6) . 4 ?
C11 K3 C10 148.82(6) . 4 ?
C11 K3 C10 26.20(6) 4 4 ?
C10 K3 C10 125.73(8) . 4 ?
N3 K3 C20 163.54(8) . 4 ?
N3 K3 C20 103.88(8) 4 4 ?
N4 K3 C20 62.18(7) 4 4 ?
N4 K3 C20 123.15(7) . 4 ?
C12 K3 C20 43.61(7) 4 4 ?
C12 K3 C20 118.90(7) . 4 ?
C11 K3 C20 130.12(8) . 4 ?
C11 K3 C20 55.04(8) 4 4 ?
C10 K3 C20 150.60(9) . 4 ?
C10 K3 C20 80.90(8) 4 4 ?
N3 K3 K1 50.89(4) . . ?
N3 K3 K1 59.04(4) 4 . ?
N4 K3 K1 125.72(4) 4 . ?
N4 K3 K1 48.67(4) . . ?
C12 K3 K1 125.73(5) 4 . ?
C12 K3 K1 69.27(4) . . ?
C11 K3 K1 73.84(4) . . ?
C11 K3 K1 102.12(5) 4 . ?
C10 K3 K1 62.45(4) . . ?
C10 K3 K1 77.38(4) 4 . ?
C20 K3 K1 144.59(8) 4 . ?
C1 N1 C21 128.17(18) . . ?
C1 N1 K2 88.30(11) . . ?
C21 N1 K2 135.43(14) . . ?
C1 N1 K1 133.40(15) . 4 ?
C21 N1 K1 86.26(11) . 4 ?
K2 N1 K1 83.20(5) . 4 ?
C3 N2 N3 121.24(18) . . ?
C3 N2 K2 100.75(14) . . ?
N3 N2 K2 130.85(12) . . ?
C3 N2 K1 120.80(13) . 4 ?
N3 N2 K1 95.54(11) . 4 ?
K2 N2 K1 82.05(5) . 4 ?
C3 N2 K1 132.84(13) . . ?
N3 N2 K1 59.66(10) . . ?
K2 N2 K1 73.53(4) . . ?
K1 N2 K1 105.00(5) 4 . ?
C10 N3 N2 122.23(18) . . ?
C10 N3 K3 101.66(14) . . ?
N2 N3 K3 132.10(12) . . ?
C10 N3 K1 113.74(14) . . ?
N2 N3 K1 95.96(11) . . ?
K3 N3 K1 81.51(5) . . ?
C10 N3 K1 140.02(14) . 4 ?
N2 N3 K1 59.60(10) . 4 ?
K3 N3 K1 74.85(4) . 4 ?
K1 N3 K1 105.21(5) . 4 ?
C12 N4 C33 126.53(18) . . ?
C12 N4 K3 84.83(13) . . ?
C33 N4 K3 139.59(14) . . ?
C12 N4 K1 133.18(14) . . ?
C33 N4 K1 89.20(12) . . ?
K3 N4 K1 83.22(5) . . ?
N1 C1 C2 122.2(2) . . ?
N1 C1 C13 123.2(2) . . ?
C2 C1 C13 114.2(2) . . ?
N1 C1 K2 65.41(11) . . ?
C2 C1 K2 80.89(13) . . ?
C13 C1 K2 120.83(15) . . ?
C1 C2 C3 132.2(2) . . ?
C1 C2 K2 73.05(13) . . ?
C3 C2 K2 84.29(13) . . ?
C1 C2 H2A 113.9 . . ?
C3 C2 H2A 113.9 . . ?
K2 C2 H2A 118.8 . . ?
N2 C3 C2 121.1(2) . . ?
N2 C3 C4 120.3(2) . . ?
C2 C3 C4 118.6(2) . . ?
N2 C3 K2 55.84(12) . . ?
C2 C3 K2 69.76(13) . . ?
C4 C3 K2 155.38(14) . . ?
C9 C4 C5 118.5(2) . . ?
C9 C4 C3 118.00(19) . . ?
C5 C4 C3 123.5(2) . . ?
C6 C5 C4 121.0(3) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 H6A 119.8 . . ?
C7 C6 H6A 119.8 . . ?
C8 C7 C6 121.1(3) . . ?
C8 C7 H7A 119.4 . . ?
C6 C7 H7A 119.4 . . ?
C7 C8 C9 119.3(3) . . ?
C7 C8 H8A 120.3 . . ?
C9 C8 H8A 120.3 . . ?
C4 C9 C8 119.5(2) . . ?
C4 C9 C10 118.6(2) . . ?
C8 C9 C10 121.9(2) . . ?
N3 C10 C9 119.6(2) . . ?
N3 C10 C11 121.3(2) . . ?
C9 C10 C11 119.1(2) . . ?
N3 C10 K3 55.18(11) . . ?
C9 C10 K3 163.26(15) . . ?
C11 C10 K3 68.00(12) . . ?
C12 C11 C10 131.3(2) . . ?
C12 C11 K3 72.89(13) . . ?
C10 C11 K3 85.79(13) . . ?
C12 C11 H11A 114.3 . . ?
C10 C11 H11A 114.3 . . ?
K3 C11 H11A 116.5 . . ?
N4 C12 C11 122.2(2) . . ?
N4 C12 C17 122.1(2) . . ?
C11 C12 C17 115.2(2) . . ?
N4 C12 K3 68.55(12) . . ?
C11 C12 K3 80.61(13) . . ?
C17 C12 K3 115.89(15) . . ?
C14 C13 C16 108.8(3) . . ?
C14 C13 C15 105.8(3) . . ?
C16 C13 C15 108.8(3) . . ?
C14 C13 C1 114.9(2) . . ?
C16 C13 C1 106.5(2) . . ?
C15 C13 C1 111.9(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 106.6(3) . . ?
C18 C17 C20 106.7(3) . . ?
C19 C17 C20 110.9(3) . . ?
C18 C17 C12 115.0(2) . . ?
C19 C17 C12 112.1(2) . . ?
C20 C17 C12 105.5(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 N1 119.93(19) . . ?
C22 C21 C26 118.8(2) . . ?
N1 C21 C26 120.6(2) . . ?
C22 C21 K1 96.12(13) . 4 ?
N1 C21 K1 66.55(10) . 4 ?
C26 C21 K1 99.21(14) . 4 ?
C23 C22 C21 119.9(2) . . ?
C23 C22 C30 118.4(2) . . ?
C21 C22 C30 121.7(2) . . ?
C23 C22 K1 113.58(18) . 4 ?
C21 C22 K1 60.53(11) . 4 ?
C30 C22 K1 95.87(15) . 4 ?
C24 C23 C22 121.3(3) . . ?
C24 C23 H23A 119.3 . . ?
C22 C23 H23A 119.3 . . ?
C25 C24 C23 118.9(3) . . ?
C25 C24 H24A 120.5 . . ?
C23 C24 H24A 120.5 . . ?
C24 C25 C26 123.5(3) . . ?
C24 C25 H25A 118.3 . . ?
C26 C25 H25A 118.3 . . ?
C25 C26 C21 117.6(3) . . ?
C25 C26 C27 121.2(2) . . ?
C21 C26 C27 121.2(2) . . ?
C29 C27 C26 112.0(2) . . ?
C29 C27 C28 110.1(3) . . ?
C26 C27 C28 114.4(3) . . ?
C29 C27 H27A 106.6 . . ?
C26 C27 H27A 106.6 . . ?
C28 C27 H27A 106.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C22 115.9(3) . . ?
C31 C30 C32 110.0(4) . . ?
C22 C30 C32 107.6(3) . . ?
C31 C30 H30A 107.7 . . ?
C22 C30 H30A 107.7 . . ?
C32 C30 H30A 107.7 . . ?
N4 C33 C38 119.6(2) . . ?
N4 C33 C34 121.4(2) . . ?
C38 C33 C34 118.5(2) . . ?
N4 C33 K1 63.97(10) . . ?
C38 C33 K1 97.37(14) . . ?
C34 C33 K1 101.68(14) . . ?
C35 C34 C33 118.9(3) . . ?
C35 C34 C42 119.6(3) . . ?
C33 C34 C42 121.5(2) . . ?
C36 C35 C34 121.8(3) . . ?
C36 C35 H35A 119.1 . . ?
C34 C35 H35A 119.1 . . ?
C35 C36 C37 120.4(3) . . ?
C35 C36 H36A 119.8 . . ?
C37 C36 H36A 119.8 . . ?
C36 C37 C38 120.1(3) . . ?
C36 C37 H37A 120.0 . . ?
C38 C37 H37A 120.0 . . ?
C37 C38 C33 120.3(2) . . ?
C37 C38 C39 118.5(2) . . ?
C33 C38 C39 121.1(2) . . ?
C40 C39 C38 114.1(3) . . ?
C40 C39 C41 109.1(3) . . ?
C38 C39 C41 111.9(3) . . ?
C40 C39 H39A 107.1 . . ?
C38 C39 H39A 107.1 . . ?
C41 C39 H39A 107.1 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C34 112.6(2) . . ?
C43 C42 C44 110.2(3) . . ?
C34 C42 C44 114.7(3) . . ?
C43 C42 H42A 106.2 . . ?
C34 C42 H42A 106.2 . . ?
C44 C42 H42A 106.2 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C45 C46 O1 117.0(19) . . ?
C45 C46 H46A 108.0 . . ?
O1 C46 H46A 108.0 . . ?
C45 C46 H46B 108.0 . . ?
O1 C46 H46B 108.0 . . ?
H46A C46 H46B 107.3 . . ?
C46 O1 C47 100(2) . . ?
C48 C47 O1 114.6(17) . . ?
C48 C47 H47A 108.6 . . ?
O1 C47 H47A 108.6 . . ?
C48 C47 H47B 108.6 . . ?
O1 C47 H47B 108.6 . . ?
H47A C47 H47B 107.6 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46' C45' H45D 109.5 . . ?
C46' C45' H45E 109.5 . . ?
H45D C45' H45E 109.5 . . ?
C46' C45' H45F 109.5 . . ?
H45D C45' H45F 109.5 . . ?
H45E C45' H45F 109.5 . . ?
C45' C46' O1' 110(2) . . ?
C45' C46' H46C 109.6 . . ?
O1' C46' H46C 109.6 . . ?
C45' C46' H46D 109.6 . . ?
O1' C46' H46D 109.6 . . ?
H46C C46' H46D 108.1 . . ?
C47' O1' C46' 101(2) . . ?
C48' C47' O1' 116(2) . . ?
C48' C47' H47C 108.3 . . ?
O1' C47' H47C 108.3 . . ?
C48' C47' H47D 108.3 . . ?
O1' C47' H47D 108.3 . . ?
H47C C47' H47D 107.4 . . ?
C47' C48' H48D 109.5 . . ?
C47' C48' H48E 109.5 . . ?
H48D C48' H48E 109.5 . . ?
C47' C48' H48F 109.5 . . ?
H48D C48' H48F 109.5 . . ?
H48E C48' H48F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K1 N4 2.7982(18) . ?
K1 N1 2.8223(17) 4 ?
K1 N2 2.8490(18) 4 ?
K1 N3 2.9031(19) . ?
K1 C21 3.070(2) 4 ?
K1 C33 3.114(2) . ?
K1 N3 3.2876(19) 4 ?
K1 N2 3.3456(18) . ?
K1 C22 3.506(2) 4 ?
K1 C29 3.506(3) 4 ?
K1 K2 3.6915(7) . ?
K1 K3 3.7005(7) . ?
K2 N1 2.7373(16) . ?
K2 N1 2.7375(16) 4 ?
K2 N2 2.7744(19) . ?
K2 N2 2.7744(19) 4 ?
K2 C1 3.009(2) 4 ?
K2 C1 3.009(2) . ?
K2 C2 3.106(2) . ?
K2 C2 3.106(2) 4 ?
K2 C3 3.294(2) . ?
K2 C3 3.294(2) 4 ?
K2 C32' 3.425(10) 4 ?
K3 N3 2.7630(18) . ?
K3 N3 2.7630(18) 4 ?
K3 N4 2.7741(18) 4 ?
K3 N4 2.7742(18) . ?
K3 C12 2.968(2) 4 ?
K3 C12 2.968(2) . ?
K3 C11 3.064(2) . ?
K3 C11 3.064(2) 4 ?
K3 C10 3.296(2) . ?
K3 C10 3.296(2) 4 ?
K3 C20 3.530(3) 4 ?
N1 C1 1.333(3) . ?
N1 C21 1.406(3) . ?
N1 K1 2.8222(17) 4 ?
N2 C3 1.332(3) . ?
N2 N3 1.389(2) . ?
N2 K1 2.8490(18) 4 ?
N3 C10 1.324(3) . ?
N3 K1 3.2876(19) 4 ?
N4 C12 1.336(3) . ?
N4 C33 1.406(3) . ?
C1 C2 1.382(3) . ?
C1 C13 1.576(3) . ?
C2 C3 1.449(3) . ?
C2 H2A 0.9400 . ?
C3 C4 1.454(3) . ?
C4 C9 1.405(4) . ?
C4 C5 1.407(3) . ?
C5 C6 1.356(4) . ?
C5 H5A 0.9400 . ?
C6 C7 1.377(5) . ?
C6 H6A 0.9400 . ?
C7 C8 1.373(4) . ?
C7 H7A 0.9400 . ?
C8 C9 1.413(3) . ?
C8 H8A 0.9400 . ?
C9 C10 1.459(3) . ?
C10 C11 1.460(3) . ?
C11 C12 1.386(3) . ?
C11 H11A 0.9400 . ?
C12 C17 1.571(3) . ?
C13 C14 1.499(4) . ?
C13 C16 1.524(4) . ?
C13 C15 1.542(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 C18 1.510(4) . ?
C17 C19 1.528(4) . ?
C17 C20 1.531(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C21 C22 1.397(3) . ?
C21 C26 1.433(3) . ?
C21 K1 3.070(2) 4 ?
C22 C23 1.394(3) . ?
C22 C30 1.518(4) . ?
C22 K1 3.506(2) 4 ?
C23 C24 1.365(4) . ?
C23 H23A 0.9400 . ?
C24 C25 1.359(5) . ?
C24 H24A 0.9400 . ?
C25 C26 1.384(4) . ?
C25 H25A 0.9400 . ?
C26 C27 1.517(4) . ?
C27 C29 1.501(5) . ?
C27 C28 1.522(4) . ?
C27 H27A 0.9900 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
C30 C31 1.428(6) . ?
C30 C32 1.617(6) . ?
C30 H30A 0.9900 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C31' H31D 0.9700 . ?
C31' H31E 0.9700 . ?
C31' H31F 0.9700 . ?
C32' H32D 0.9700 . ?
C32' H32E 0.9700 . ?
C32' H32F 0.9700 . ?
C33 C38 1.414(3) . ?
C33 C34 1.421(3) . ?
C34 C35 1.396(4) . ?
C34 C42 1.519(4) . ?
C35 C36 1.365(5) . ?
C35 H35A 0.9400 . ?
C36 C37 1.380(4) . ?
C36 H36A 0.9400 . ?
C37 C38 1.398(4) . ?
C37 H37A 0.9400 . ?
C38 C39 1.518(4) . ?
C39 C40 1.483(5) . ?
C39 C41 1.532(4) . ?
C39 H39A 0.9900 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 H40C 0.9700 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C42 C43 1.496(4) . ?
C42 C44 1.525(4) . ?
C42 H42A 0.9900 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 H44C 0.9700 . ?
C45 C46 1.321(18) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 H45C 0.9700 . ?
C46 O1 1.43(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
O1 C47 1.44(2) . ?
C47 C48 1.347(16) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 H48C 0.9700 . ?
C45' C46' 1.379(19) . ?
C45' H45D 0.9700 . ?
C45' H45E 0.9700 . ?
C45' H45F 0.9700 . ?
C46' O1' 1.43(2) . ?
C46' H46C 0.9800 . ?
C46' H46D 0.9800 . ?
O1' C47' 1.43(2) . ?
C47' C48' 1.35(2) . ?
C47' H47C 0.9800 . ?
C47' H47D 0.9800 . ?
C48' H48D 0.9700 . ?
C48' H48E 0.9700 . ?
C48' H48F 0.9700 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 K1 K3 N3 97.17(7) . . . . ?
N1 K1 K3 N3 -85.78(7) 4 . . . ?
N2 K1 K3 N3 -96.04(6) 4 . . . ?
C21 K1 K3 N3 -86.20(17) 4 . . . ?
C33 K1 K3 N3 115.04(7) . . . . ?
N3 K1 K3 N3 -102.85(7) 4 . . . ?
N2 K1 K3 N3 -19.75(6) . . . . ?
C22 K1 K3 N3 -8.84(12) 4 . . . ?
C29 K1 K3 N3 -166.69(10) 4 . . . ?
K2 K1 K3 N3 -55.01(5) . . . . ?
N4 K1 K3 N3 -159.98(7) . . . 4 ?
N1 K1 K3 N3 17.07(7) 4 . . 4 ?
N2 K1 K3 N3 6.81(6) 4 . . 4 ?
N3 K1 K3 N3 102.85(7) . . . 4 ?
C21 K1 K3 N3 16.65(17) 4 . . 4 ?
C33 K1 K3 N3 -142.11(6) . . . 4 ?
N2 K1 K3 N3 83.10(5) . . . 4 ?
C22 K1 K3 N3 94.01(13) 4 . . 4 ?
C29 K1 K3 N3 -63.84(10) 4 . . 4 ?
K2 K1 K3 N3 47.84(4) . . . 4 ?
N4 K1 K3 N4 177.76(3) . . . 4 ?
N1 K1 K3 N4 -5.20(7) 4 . . 4 ?
N2 K1 K3 N4 -15.45(6) 4 . . 4 ?
N3 K1 K3 N4 80.58(7) . . . 4 ?
C21 K1 K3 N4 -5.62(17) 4 . . 4 ?
C33 K1 K3 N4 -164.37(6) . . . 4 ?
N3 K1 K3 N4 -22.27(6) 4 . . 4 ?
N2 K1 K3 N4 60.84(6) . . . 4 ?
C22 K1 K3 N4 71.74(12) 4 . . 4 ?
C29 K1 K3 N4 -86.11(10) 4 . . 4 ?
K2 K1 K3 N4 25.58(5) . . . 4 ?
N1 K1 K3 N4 177.05(8) 4 . . . ?
N2 K1 K3 N4 166.79(6) 4 . . . ?
N3 K1 K3 N4 -97.17(7) . . . . ?
C21 K1 K3 N4 176.63(17) 4 . . . ?
C33 K1 K3 N4 17.87(7) . . . . ?
N3 K1 K3 N4 159.98(7) 4 . . . ?
N2 K1 K3 N4 -116.92(6) . . . . ?
C22 K1 K3 N4 -106.01(13) 4 . . . ?
C29 K1 K3 N4 96.13(10) 4 . . . ?
K2 K1 K3 N4 -152.18(5) . . . . ?
N4 K1 K3 C12 -149.29(7) . . . 4 ?
N1 K1 K3 C12 27.75(8) 4 . . 4 ?
N2 K1 K3 C12 17.50(7) 4 . . 4 ?
N3 K1 K3 C12 113.53(7) . . . 4 ?
C21 K1 K3 C12 27.33(17) 4 . . 4 ?
C33 K1 K3 C12 -131.42(7) . . . 4 ?
N3 K1 K3 C12 10.68(7) 4 . . 4 ?
N2 K1 K3 C12 93.79(7) . . . 4 ?
C22 K1 K3 C12 104.69(13) 4 . . 4 ?
C29 K1 K3 C12 -53.16(11) 4 . . 4 ?
K2 K1 K3 C12 58.52(6) . . . 4 ?
N4 K1 K3 C12 19.93(7) . . . . ?
N1 K1 K3 C12 -163.02(7) 4 . . . ?
N2 K1 K3 C12 -173.28(6) 4 . . . ?
N3 K1 K3 C12 -77.24(7) . . . . ?
C21 K1 K3 C12 -163.44(17) 4 . . . ?
C33 K1 K3 C12 37.80(7) . . . . ?
N3 K1 K3 C12 179.91(7) 4 . . . ?
N2 K1 K3 C12 -96.99(6) . . . . ?
C22 K1 K3 C12 -86.08(13) 4 . . . ?
C29 K1 K3 C12 116.06(10) 4 . . . ?
K2 K1 K3 C12 -132.25(5) . . . . ?
N4 K1 K3 C11 47.49(7) . . . . ?
N1 K1 K3 C11 -135.47(7) 4 . . . ?
N2 K1 K3 C11 -145.72(6) 4 . . . ?
N3 K1 K3 C11 -49.68(7) . . . . ?
C21 K1 K3 C11 -135.89(17) 4 . . . ?
C33 K1 K3 C11 65.36(7) . . . . ?
N3 K1 K3 C11 -152.54(7) 4 . . . ?
N2 K1 K3 C11 -69.43(6) . . . . ?
C22 K1 K3 C11 -58.53(13) 4 . . . ?
C29 K1 K3 C11 143.62(10) 4 . . . ?
K2 K1 K3 C11 -104.69(5) . . . . ?
N4 K1 K3 C11 -135.96(7) . . . 4 ?
N1 K1 K3 C11 41.09(7) 4 . . 4 ?
N2 K1 K3 C11 30.84(6) 4 . . 4 ?
N3 K1 K3 C11 126.87(7) . . . 4 ?
C21 K1 K3 C11 40.67(17) 4 . . 4 ?
C33 K1 K3 C11 -118.09(6) . . . 4 ?
N3 K1 K3 C11 24.02(6) 4 . . 4 ?
N2 K1 K3 C11 107.13(6) . . . 4 ?
C22 K1 K3 C11 118.03(13) 4 . . 4 ?
C29 K1 K3 C11 -39.82(10) 4 . . 4 ?
K2 K1 K3 C11 71.86(5) . . . 4 ?
N4 K1 K3 C10 73.00(7) . . . . ?
N1 K1 K3 C10 -109.95(7) 4 . . . ?
N2 K1 K3 C10 -120.20(6) 4 . . . ?
N3 K1 K3 C10 -24.17(6) . . . . ?
C21 K1 K3 C10 -110.37(16) 4 . . . ?
C33 K1 K3 C10 90.87(6) . . . . ?
N3 K1 K3 C10 -127.02(6) 4 . . . ?
N2 K1 K3 C10 -43.91(5) . . . . ?
C22 K1 K3 C10 -33.01(13) 4 . . . ?
C29 K1 K3 C10 169.14(10) 4 . . . ?
K2 K1 K3 C10 -79.18(4) . . . . ?
N4 K1 K3 C10 -144.64(6) . . . 4 ?
N1 K1 K3 C10 32.40(7) 4 . . 4 ?
N2 K1 K3 C10 22.15(5) 4 . . 4 ?
N3 K1 K3 C10 118.18(6) . . . 4 ?
C21 K1 K3 C10 31.98(16) 4 . . 4 ?
C33 K1 K3 C10 -126.77(6) . . . 4 ?
N3 K1 K3 C10 15.33(6) 4 . . 4 ?
N2 K1 K3 C10 98.44(5) . . . 4 ?
C22 K1 K3 C10 109.34(12) 4 . . 4 ?
C29 K1 K3 C10 -48.51(10) 4 . . 4 ?
K2 K1 K3 C10 63.17(4) . . . 4 ?
N4 K1 K3 C20 -91.13(11) . . . 4 ?
N1 K1 K3 C20 85.92(11) 4 . . 4 ?
N2 K1 K3 C20 75.66(10) 4 . . 4 ?
N3 K1 K3 C20 171.70(11) . . . 4 ?
C21 K1 K3 C20 85.50(19) 4 . . 4 ?
C33 K1 K3 C20 -73.26(11) . . . 4 ?
N3 K1 K3 C20 68.85(11) 4 . . 4 ?
N2 K1 K3 C20 151.95(10) . . . 4 ?
C22 K1 K3 C20 162.85(15) 4 . . 4 ?
C29 K1 K3 C20 5.00(14) 4 . . 4 ?
K2 K1 K3 C20 116.69(10) . . . 4 ?
N1 K2 N1 C1 115.20(13) 4 . . . ?
N2 K2 N1 C1 79.00(13) . . . . ?
N2 K2 N1 C1 150.38(13) 4 . . . ?
C1 K2 N1 C1 -139.2(2) 4 . . . ?
C2 K2 N1 C1 26.39(13) . . . . ?
C2 K2 N1 C1 -160.42(13) 4 . . . ?
C3 K2 N1 C1 54.45(13) . . . . ?
C3 K2 N1 C1 173.68(13) 4 . . . ?
C32' K2 N1 C1 -15.7(2) 4 . . . ?
N1 K2 N1 C21 -96.50(18) 4 . . . ?
N2 K2 N1 C21 -132.69(19) . . . . ?
N2 K2 N1 C21 -61.32(19) 4 . . . ?
C1 K2 N1 C21 9.1(3) 4 . . . ?
C1 K2 N1 C21 148.3(3) . . . . ?
C2 K2 N1 C21 174.7(2) . . . . ?
C2 K2 N1 C21 -12.1(2) 4 . . . ?
C3 K2 N1 C21 -157.2(2) . . . . ?
C3 K2 N1 C21 -38.0(2) 4 . . . ?
C32' K2 N1 C21 132.7(2) 4 . . . ?
N1 K2 N1 K1 -18.89(3) 4 . . 4 ?
N2 K2 N1 K1 -55.09(5) . . . 4 ?
N2 K2 N1 K1 16.29(6) 4 . . 4 ?
C1 K2 N1 K1 86.73(14) 4 . . 4 ?
C1 K2 N1 K1 -134.09(15) . . . 4 ?
C2 K2 N1 K1 -107.70(8) . . . 4 ?
C2 K2 N1 K1 65.50(9) 4 . . 4 ?
C3 K2 N1 K1 -79.63(6) . . . 4 ?
C3 K2 N1 K1 39.60(7) 4 . . 4 ?
C32' K2 N1 K1 -149.74(18) 4 . . 4 ?
N1 K2 N2 C3 -65.46(12) . . . . ?
N1 K2 N2 C3 117.55(13) 4 . . . ?
N2 K2 N2 C3 -179.20(15) 4 . . . ?
C1 K2 N2 C3 134.12(12) 4 . . . ?
C1 K2 N2 C3 -36.98(12) . . . . ?
C2 K2 N2 C3 -13.72(12) . . . . ?
C2 K2 N2 C3 167.30(12) 4 . . . ?
C3 K2 N2 C3 -179.53(9) 4 . . . ?
C32' K2 N2 C3 49.7(2) 4 . . . ?
N1 K2 N2 N3 144.99(17) . . . . ?
N1 K2 N2 N3 -32.01(17) 4 . . . ?
N2 K2 N2 N3 31.25(13) 4 . . . ?
C1 K2 N2 N3 -15.43(19) 4 . . . ?
C1 K2 N2 N3 173.47(17) . . . . ?
C2 K2 N2 N3 -163.27(19) . . . . ?
C2 K2 N2 N3 17.74(18) 4 . . . ?
C3 K2 N2 N3 -149.6(2) . . . . ?
C3 K2 N2 N3 30.92(17) 4 . . . ?
C32' K2 N2 N3 -99.9(2) 4 . . . ?
N1 K2 N2 K1 54.53(5) . . . 4 ?
N1 K2 N2 K1 -122.46(5) 4 . . 4 ?
N2 K2 N2 K1 -59.21(4) 4 . . 4 ?
C1 K2 N2 K1 -105.89(7) 4 . . 4 ?
C1 K2 N2 K1 83.01(6) . . . 4 ?
C2 K2 N2 K1 106.27(8) . . . 4 ?
C2 K2 N2 K1 -72.72(7) 4 . . 4 ?
C3 K2 N2 K1 119.99(13) . . . 4 ?
C3 K2 N2 K1 -59.54(5) 4 . . 4 ?
C32' K2 N2 K1 169.64(17) 4 . . 4 ?
N1 K2 N2 K1 162.81(5) . . . . ?
N1 K2 N2 K1 -14.18(5) 4 . . . ?
N2 K2 N2 K1 49.07(3) 4 . . . ?
C1 K2 N2 K1 2.39(8) 4 . . . ?
C1 K2 N2 K1 -168.71(6) . . . . ?
C2 K2 N2 K1 -145.45(8) . . . . ?
C2 K2 N2 K1 35.57(7) 4 . . . ?
C3 K2 N2 K1 -131.73(13) . . . . ?
C3 K2 N2 K1 48.74(5) 4 . . . ?
C32' K2 N2 K1 -82.07(17) 4 . . . ?
N4 K1 N2 C3 101.6(2) . . . . ?
N1 K1 N2 C3 -76.4(2) 4 . . . ?
N2 K1 N2 C3 -139.99(18) 4 . . . ?
N3 K1 N2 C3 106.1(2) . . . . ?
C21 K1 N2 C3 -53.1(2) 4 . . . ?
C33 K1 N2 C3 94.2(2) . . . . ?
N3 K1 N2 C3 -166.6(2) 4 . . . ?
C22 K1 N2 C3 -32.9(2) 4 . . . ?
C29 K1 N2 C3 -112.5(2) 4 . . . ?
K2 K1 N2 C3 -89.5(2) . . . . ?
K3 K1 N2 C3 143.3(2) . . . . ?
N4 K1 N2 N3 -4.43(11) . . . . ?
N1 K1 N2 N3 177.52(11) 4 . . . ?
N2 K1 N2 N3 113.93(11) 4 . . . ?
C21 K1 N2 N3 -159.14(11) 4 . . . ?
C33 K1 N2 N3 -11.84(13) . . . . ?
N3 K1 N2 N3 87.37(12) 4 . . . ?
C22 K1 N2 N3 -139.02(11) 4 . . . ?
C29 K1 N2 N3 141.44(16) 4 . . . ?
K2 K1 N2 N3 164.44(12) . . . . ?
K3 K1 N2 N3 37.18(10) . . . . ?
N4 K1 N2 K2 -168.87(5) . . . . ?
N1 K1 N2 K2 13.08(5) 4 . . . ?
N2 K1 N2 K2 -50.50(4) 4 . . . ?
N3 K1 N2 K2 -164.44(12) . . . . ?
C21 K1 N2 K2 36.42(6) 4 . . . ?
C33 K1 N2 K2 -176.27(5) . . . . ?
N3 K1 N2 K2 -77.07(5) 4 . . . ?
C22 K1 N2 K2 56.54(5) 4 . . . ?
C29 K1 N2 K2 -22.99(15) 4 . . . ?
K3 K1 N2 K2 -127.25(4) . . . . ?
N4 K1 N2 K1 -92.08(6) . . . 4 ?
N1 K1 N2 K1 89.87(6) 4 . . 4 ?
N2 K1 N2 K1 26.29(7) 4 . . 4 ?
N3 K1 N2 K1 -87.64(12) . . . 4 ?
C21 K1 N2 K1 113.22(7) 4 . . 4 ?
C33 K1 N2 K1 -99.48(7) . . . 4 ?
N3 K1 N2 K1 -0.27(5) 4 . . 4 ?
C22 K1 N2 K1 133.34(6) 4 . . 4 ?
C29 K1 N2 K1 53.80(16) 4 . . 4 ?
K2 K1 N2 K1 76.79(5) . . . 4 ?
K3 K1 N2 K1 -50.46(4) . . . 4 ?
C3 N2 N3 C10 -1.5(3) . . . . ?
K2 N2 N3 C10 142.86(17) . . . . ?
K1 N2 N3 C10 -132.87(18) 4 . . . ?
K1 N2 N3 C10 123.0(2) . . . . ?
C3 N2 N3 K3 151.56(16) . . . . ?
K2 N2 N3 K3 -64.0(2) . . . . ?
K1 N2 N3 K3 20.22(17) 4 . . . ?
K1 N2 N3 K3 -83.93(14) . . . . ?
C3 N2 N3 K1 -124.50(17) . . . . ?
K2 N2 N3 K1 19.89(15) . . . . ?
K1 N2 N3 K1 104.15(6) 4 . . . ?
C3 N2 N3 K1 131.3(2) . . . 4 ?
K2 N2 N3 K1 -84.27(13) . . . 4 ?
K1 N2 N3 K1 -104.15(6) . . . 4 ?
N3 K3 N3 C10 -170.78(17) 4 . . . ?
N4 K3 N3 C10 123.54(13) 4 . . . ?
N4 K3 N3 C10 -60.13(13) . . . . ?
C12 K3 N3 C10 138.89(13) 4 . . . ?
C12 K3 N3 C10 -31.63(13) . . . . ?
C11 K3 N3 C10 -9.11(12) . . . . ?
C11 K3 N3 C10 172.20(12) 4 . . . ?
C10 K3 N3 C10 -174.48(10) 4 . . . ?
C20 K3 N3 C10 84.5(3) 4 . . . ?
K1 K3 N3 C10 -112.63(14) . . . . ?
N3 K3 N3 N2 32.23(14) 4 . . . ?
N4 K3 N3 N2 -33.45(18) 4 . . . ?
N4 K3 N3 N2 142.88(18) . . . . ?
C12 K3 N3 N2 -18.1(2) 4 . . . ?
C12 K3 N3 N2 171.39(19) . . . . ?
C11 K3 N3 N2 -166.1(2) . . . . ?
C11 K3 N3 N2 15.2(2) 4 . . . ?
C10 K3 N3 N2 -157.0(3) . . . . ?
C10 K3 N3 N2 28.53(18) 4 . . . ?
C20 K3 N3 N2 -72.4(3) 4 . . . ?
K1 K3 N3 N2 90.38(17) . . . . ?
N3 K3 N3 K1 -58.14(4) 4 . . . ?
N4 K3 N3 K1 -123.83(5) 4 . . . ?
N4 K3 N3 K1 52.50(5) . . . . ?
C12 K3 N3 K1 -108.48(7) 4 . . . ?
C12 K3 N3 K1 81.01(6) . . . . ?
C11 K3 N3 K1 103.52(8) . . . . ?
C11 K3 N3 K1 -75.17(7) 4 . . . ?
C10 K3 N3 K1 112.63(14) . . . . ?
C10 K3 N3 K1 -61.85(5) 4 . . . ?
C20 K3 N3 K1 -162.8(3) 4 . . . ?
N3 K3 N3 K1 50.23(4) 4 . . 4 ?
N4 K3 N3 K1 -15.46(5) 4 . . 4 ?
N4 K3 N3 K1 160.88(5) . . . 4 ?
C12 K3 N3 K1 -0.11(8) 4 . . 4 ?
C12 K3 N3 K1 -170.62(6) . . . 4 ?
C11 K3 N3 K1 -148.11(8) . . . 4 ?
C11 K3 N3 K1 33.20(7) 4 . . 4 ?
C10 K3 N3 K1 -139.00(14) . . . 4 ?
C10 K3 N3 K1 46.52(5) 4 . . 4 ?
C20 K3 N3 K1 -54.5(3) 4 . . 4 ?
K1 K3 N3 K1 108.37(4) . . . 4 ?
N4 K1 N3 C10 46.03(15) . . . . ?
N1 K1 N3 C10 -131.94(15) 4 . . . ?
N2 K1 N3 C10 170.45(16) 4 . . . ?
C21 K1 N3 C10 -103.11(16) 4 . . . ?
C33 K1 N3 C10 40.34(16) . . . . ?
N3 K1 N3 C10 147.65(14) 4 . . . ?
N2 K1 N3 C10 -129.2(2) . . . . ?
C22 K1 N3 C10 -84.25(16) 4 . . . ?
C29 K1 N3 C10 140.1(3) 4 . . . ?
K2 K1 N3 C10 -141.06(16) . . . . ?
K3 K1 N3 C10 99.07(16) . . . . ?
N4 K1 N3 N2 175.21(12) . . . . ?
N1 K1 N3 N2 -2.77(12) 4 . . . ?
N2 K1 N3 N2 -60.38(11) 4 . . . ?
C21 K1 N3 N2 26.07(13) 4 . . . ?
C33 K1 N3 N2 169.52(11) . . . . ?
N3 K1 N3 N2 -83.18(11) 4 . . . ?
C22 K1 N3 N2 44.92(12) 4 . . . ?
C29 K1 N3 N2 -90.8(3) 4 . . . ?
K2 K1 N3 N2 -11.89(9) . . . . ?
K3 K1 N3 N2 -131.75(12) . . . . ?
N4 K1 N3 K3 -53.04(5) . . . . ?
N1 K1 N3 K3 128.98(5) 4 . . . ?
N2 K1 N3 K3 71.38(5) 4 . . . ?
C21 K1 N3 K3 157.82(6) 4 . . . ?
C33 K1 N3 K3 -58.73(5) . . . . ?
N3 K1 N3 K3 48.57(4) 4 . . . ?
N2 K1 N3 K3 131.75(12) . . . . ?
C22 K1 N3 K3 176.68(5) 4 . . . ?
C29 K1 N3 K3 41.0(3) 4 . . . ?
K2 K1 N3 K3 119.86(4) . . . . ?
N4 K1 N3 K1 -124.72(7) . . . 4 ?
N1 K1 N3 K1 57.31(7) 4 . . 4 ?
N2 K1 N3 K1 -0.30(6) 4 . . 4 ?
C21 K1 N3 K1 86.15(8) 4 . . 4 ?
C33 K1 N3 K1 -130.40(6) . . . 4 ?
N3 K1 N3 K1 -23.10(6) 4 . . 4 ?
N2 K1 N3 K1 60.08(10) . . . 4 ?
C22 K1 N3 K1 105.00(6) 4 . . 4 ?
C29 K1 N3 K1 -30.7(3) 4 . . 4 ?
K2 K1 N3 K1 48.19(4) . . . 4 ?
K3 K1 N3 K1 -71.67(5) . . . 4 ?
N3 K3 N4 C12 79.57(13) . . . . ?
N3 K3 N4 C12 152.37(12) 4 . . . ?
N4 K3 N4 C12 116.56(12) 4 . . . ?
C12 K3 N4 C12 -138.5(2) 4 . . . ?
C11 K3 N4 C12 27.40(12) . . . . ?
C11 K3 N4 C12 -159.62(12) 4 . . . ?
C10 K3 N4 C12 56.38(12) . . . . ?
C10 K3 N4 C12 173.95(12) 4 . . . ?
C20 K3 N4 C12 -89.14(15) 4 . . . ?
K1 K3 N4 C12 134.64(14) . . . . ?
N3 K3 N4 C33 -135.8(2) . . . . ?
N3 K3 N4 C33 -63.0(2) 4 . . . ?
N4 K3 N4 C33 -98.8(2) 4 . . . ?
C12 K3 N4 C33 6.2(3) 4 . . . ?
C12 K3 N4 C33 144.6(3) . . . . ?
C11 K3 N4 C33 172.0(2) . . . . ?
C11 K3 N4 C33 -15.0(2) 4 . . . ?
C10 K3 N4 C33 -159.0(2) . . . . ?
C10 K3 N4 C33 -41.4(2) 4 . . . ?
C20 K3 N4 C33 55.5(2) 4 . . . ?
K1 K3 N4 C33 -80.7(2) . . . . ?
N3 K3 N4 K1 -55.07(5) . . . . ?
N3 K3 N4 K1 17.73(6) 4 . . . ?
N4 K3 N4 K1 -18.08(3) 4 . . . ?
C12 K3 N4 K1 86.90(14) 4 . . . ?
C12 K3 N4 K1 -134.64(14) . . . . ?
C11 K3 N4 K1 -107.24(8) . . . . ?
C11 K3 N4 K1 65.73(8) 4 . . . ?
C10 K3 N4 K1 -78.26(6) . . . . ?
C10 K3 N4 K1 39.31(7) 4 . . . ?
C20 K3 N4 K1 136.21(9) 4 . . . ?
N1 K1 N4 C12 131.7(7) 4 . . . ?
N2 K1 N4 C12 -90.3(2) 4 . . . ?
N3 K1 N4 C12 -23.91(19) . . . . ?
C21 K1 N4 C12 105.6(2) 4 . . . ?
C33 K1 N4 C12 143.4(3) . . . . ?
N3 K1 N4 C12 -90.6(2) 4 . . . ?
N2 K1 N4 C12 -21.9(2) . . . . ?
C22 K1 N4 C12 75.7(2) 4 . . . ?
C29 K1 N4 C12 175.6(2) 4 . . . ?
K2 K1 N4 C12 -33.7(2) . . . . ?
K3 K1 N4 C12 -76.35(19) . . . . ?
N1 K1 N4 C33 -11.8(8) 4 . . . ?
N2 K1 N4 C33 126.22(12) 4 . . . ?
N3 K1 N4 C33 -167.35(14) . . . . ?
C21 K1 N4 C33 -37.86(18) 4 . . . ?
N3 K1 N4 C33 125.92(12) 4 . . . ?
N2 K1 N4 C33 -165.37(12) . . . . ?
C22 K1 N4 C33 -67.71(14) 4 . . . ?
C29 K1 N4 C33 32.21(15) 4 . . . ?
K2 K1 N4 C33 -177.10(10) . . . . ?
K3 K1 N4 C33 140.22(14) . . . . ?
N1 K1 N4 K3 -152.0(7) 4 . . . ?
N2 K1 N4 K3 -14.00(7) 4 . . . ?
N3 K1 N4 K3 52.44(5) . . . . ?
C21 K1 N4 K3 -178.08(10) 4 . . . ?
C33 K1 N4 K3 -140.22(14) . . . . ?
N3 K1 N4 K3 -14.30(5) 4 . . . ?
N2 K1 N4 K3 54.41(5) . . . . ?
C22 K1 N4 K3 152.07(6) 4 . . . ?
C29 K1 N4 K3 -108.01(9) 4 . . . ?
K2 K1 N4 K3 42.68(7) . . . . ?
C21 N1 C1 C2 147.5(2) . . . . ?
K2 N1 C1 C2 -60.4(2) . . . . ?
K1 N1 C1 C2 18.5(3) 4 . . . ?
C21 N1 C1 C13 -40.1(3) . . . . ?
K2 N1 C1 C13 112.0(2) . . . . ?
K1 N1 C1 C13 -169.05(16) 4 . . . ?
C21 N1 C1 K2 -152.0(2) . . . . ?
K1 N1 C1 K2 78.98(14) 4 . . . ?
N1 K2 C1 N1 -169.40(17) 4 . . . ?
N2 K2 C1 N1 -89.67(13) . . . . ?
N2 K2 C1 N1 -37.81(16) 4 . . . ?
C1 K2 C1 N1 113.87(13) 4 . . . ?
C2 K2 C1 N1 -131.8(2) . . . . ?
C2 K2 C1 N1 37.1(2) 4 . . . ?
C3 K2 C1 N1 -108.36(14) . . . . ?
C3 K2 C1 N1 -9.40(19) 4 . . . ?
C32' K2 C1 N1 166.2(2) 4 . . . ?
N1 K2 C1 C2 131.8(2) . . . . ?
N1 K2 C1 C2 -37.6(2) 4 . . . ?
N2 K2 C1 C2 42.11(13) . . . . ?
N2 K2 C1 C2 93.97(14) 4 . . . ?
C1 K2 C1 C2 -114.35(13) 4 . . . ?
C2 K2 C1 C2 168.9(2) 4 . . . ?
C3 K2 C1 C2 23.42(12) . . . . ?
C3 K2 C1 C2 122.38(14) 4 . . . ?
C32' K2 C1 C2 -62.0(2) 4 . . . ?
N1 K2 C1 C13 -115.4(2) . . . . ?
N1 K2 C1 C13 75.2(2) 4 . . . ?
N2 K2 C1 C13 154.97(19) . . . . ?
N2 K2 C1 C13 -153.17(16) 4 . . . ?
C1 K2 C1 C13 -1.50(17) 4 . . . ?
C2 K2 C1 C13 112.9(2) . . . . ?
C2 K2 C1 C13 -78.2(2) 4 . . . ?
C3 K2 C1 C13 136.3(2) . . . . ?
C3 K2 C1 C13 -124.77(17) 4 . . . ?
C32' K2 C1 C13 50.9(2) 4 . . . ?
N1 C1 C2 C3 -12.2(4) . . . . ?
C13 C1 C2 C3 174.8(2) . . . . ?
K2 C1 C2 C3 -65.4(3) . . . . ?
N1 C1 C2 K2 53.23(19) . . . . ?
C13 C1 C2 K2 -119.80(19) . . . . ?
N1 K2 C2 C1 -26.62(12) . . . . ?
N1 K2 C2 C1 159.94(12) 4 . . . ?
N2 K2 C2 C1 -124.94(15) . . . . ?
N2 K2 C2 C1 -106.97(13) 4 . . . ?
C1 K2 C2 C1 138.8(2) 4 . . . ?
C2 K2 C2 C1 -115.65(13) 4 . . . ?
C3 K2 C2 C1 -137.4(2) . . . . ?
C3 K2 C2 C1 -97.12(16) 4 . . . ?
C32' K2 C2 C1 116.6(2) 4 . . . ?
N1 K2 C2 C3 110.75(15) . . . . ?
N1 K2 C2 C3 -62.69(15) 4 . . . ?
N2 K2 C2 C3 12.43(11) . . . . ?
N2 K2 C2 C3 30.40(15) 4 . . . ?
C1 K2 C2 C3 -83.9(2) 4 . . . ?
C1 K2 C2 C3 137.4(2) . . . . ?
C2 K2 C2 C3 21.72(12) 4 . . . ?
C3 K2 C2 C3 40.3(2) 4 . . . ?
C32' K2 C2 C3 -106.01(19) 4 . . . ?
N3 N2 C3 C2 179.63(19) . . . . ?
K2 N2 C3 C2 26.3(2) . . . . ?
K1 N2 C3 C2 -60.8(2) 4 . . . ?
K1 N2 C3 C2 103.7(2) . . . . ?
N3 N2 C3 C4 2.2(3) . . . . ?
K2 N2 C3 C4 -151.17(17) . . . . ?
K1 N2 C3 C4 121.74(18) 4 . . . ?
K1 N2 C3 C4 -73.7(3) . . . . ?
N3 N2 C3 K2 153.4(2) . . . . ?
K1 N2 C3 K2 -87.09(12) 4 . . . ?
K1 N2 C3 K2 77.44(15) . . . . ?
C1 C2 C3 N2 38.0(4) . . . . ?
K2 C2 C3 N2 -22.98(19) . . . . ?
C1 C2 C3 C4 -144.6(3) . . . . ?
K2 C2 C3 C4 154.50(18) . . . . ?
C1 C2 C3 K2 60.9(3) . . . . ?
N1 K2 C3 N2 103.75(13) . . . . ?
N1 K2 C3 N2 -71.49(13) 4 . . . ?
N2 K2 C3 N2 0.81(15) 4 . . . ?
C1 K2 C3 N2 -66.83(16) 4 . . . ?
C1 K2 C3 N2 132.65(15) . . . . ?
C2 K2 C3 N2 156.2(2) . . . . ?
C2 K2 C3 N2 -20.19(19) 4 . . . ?
C3 K2 C3 N2 0.57(11) 4 . . . ?
C32' K2 C3 N2 -132.28(19) 4 . . . ?
N1 K2 C3 C2 -52.41(12) . . . . ?
N1 K2 C3 C2 132.34(13) 4 . . . ?
N2 K2 C3 C2 -156.2(2) . . . . ?
N2 K2 C3 C2 -155.35(12) 4 . . . ?
C1 K2 C3 C2 137.01(14) 4 . . . ?
C1 K2 C3 C2 -23.51(12) . . . . ?
C2 K2 C3 C2 -176.35(7) 4 . . . ?
C3 K2 C3 C2 -155.59(13) 4 . . . ?
C32' K2 C3 C2 71.6(2) 4 . . . ?
N1 K2 C3 C4 -167.3(4) . . . . ?
N1 K2 C3 C4 17.5(4) 4 . . . ?
N2 K2 C3 C4 88.9(4) . . . . ?
N2 K2 C3 C4 89.8(4) 4 . . . ?
C1 K2 C3 C4 22.1(4) 4 . . . ?
C1 K2 C3 C4 -138.4(4) . . . . ?
C2 K2 C3 C4 -114.9(4) . . . . ?
C2 K2 C3 C4 68.8(4) 4 . . . ?
C3 K2 C3 C4 89.5(4) 4 . . . ?
C32' K2 C3 C4 -43.3(4) 4 . . . ?
N2 C3 C4 C9 -0.1(3) . . . . ?
C2 C3 C4 C9 -177.6(2) . . . . ?
K2 C3 C4 C9 -73.5(4) . . . . ?
N2 C3 C4 C5 180.0(2) . . . . ?
C2 C3 C4 C5 2.5(3) . . . . ?
K2 C3 C4 C5 106.7(4) . . . . ?
C9 C4 C5 C6 2.6(4) . . . . ?
C3 C4 C5 C6 -177.6(3) . . . . ?
C4 C5 C6 C7 -0.3(5) . . . . ?
C5 C6 C7 C8 -1.4(6) . . . . ?
C6 C7 C8 C9 0.8(5) . . . . ?
C5 C4 C9 C8 -3.1(4) . . . . ?
C3 C4 C9 C8 177.0(2) . . . . ?
C5 C4 C9 C10 177.4(2) . . . . ?
C3 C4 C9 C10 -2.5(3) . . . . ?
C7 C8 C9 C4 1.5(4) . . . . ?
C7 C8 C9 C10 -179.0(3) . . . . ?
N2 N3 C10 C9 -1.2(3) . . . . ?
K3 N3 C10 C9 -161.17(17) . . . . ?
K1 N3 C10 C9 113.06(18) . . . . ?
K1 N3 C10 C9 -80.9(3) 4 . . . ?
N2 N3 C10 C11 176.98(19) . . . . ?
K3 N3 C10 C11 17.0(2) . . . . ?
K1 N3 C10 C11 -68.7(2) . . . . ?
K1 N3 C10 C11 97.3(2) 4 . . . ?
N2 N3 C10 K3 159.9(2) . . . . ?
K1 N3 C10 K3 -85.76(10) . . . . ?
K1 N3 C10 K3 80.26(19) 4 . . . ?
C4 C9 C10 N3 3.2(3) . . . . ?
C8 C9 C10 N3 -176.3(2) . . . . ?
C4 C9 C10 C11 -175.0(2) . . . . ?
C8 C9 C10 C11 5.5(4) . . . . ?
C4 C9 C10 K3 -63.7(6) . . . . ?
C8 C9 C10 K3 116.8(5) . . . . ?
N3 K3 C10 N3 9.31(17) 4 . . . ?
N4 K3 C10 N3 -64.38(14) 4 . . . ?
N4 K3 C10 N3 109.90(14) . . . . ?
C12 K3 C10 N3 -59.84(17) 4 . . . ?
C12 K3 C10 N3 139.76(16) . . . . ?
C11 K3 C10 N3 164.3(2) . . . . ?
C11 K3 C10 N3 -12.25(19) 4 . . . ?
C10 K3 C10 N3 6.64(12) 4 . . . ?
C20 K3 C10 N3 -144.94(16) 4 . . . ?
K1 K3 C10 N3 53.88(13) . . . . ?
N3 K3 C10 C9 77.0(6) . . . . ?
N3 K3 C10 C9 86.3(6) 4 . . . ?
N4 K3 C10 C9 12.6(6) 4 . . . ?
N4 K3 C10 C9 -173.1(6) . . . . ?
C12 K3 C10 C9 17.2(6) 4 . . . ?
C12 K3 C10 C9 -143.2(6) . . . . ?
C11 K3 C10 C9 -118.6(6) . . . . ?
C11 K3 C10 C9 64.8(6) 4 . . . ?
C10 K3 C10 C9 83.7(6) 4 . . . ?
C20 K3 C10 C9 -67.9(6) 4 . . . ?
K1 K3 C10 C9 130.9(6) . . . . ?
N3 K3 C10 C11 -164.3(2) . . . . ?
N3 K3 C10 C11 -155.02(12) 4 . . . ?
N4 K3 C10 C11 131.29(12) 4 . . . ?
N4 K3 C10 C11 -54.43(12) . . . . ?
C12 K3 C10 C11 135.83(13) 4 . . . ?
C12 K3 C10 C11 -24.57(12) . . . . ?
C11 K3 C10 C11 -176.58(6) 4 . . . ?
C10 K3 C10 C11 -157.69(13) 4 . . . ?
C20 K3 C10 C11 50.73(19) 4 . . . ?
K1 K3 C10 C11 -110.45(13) . . . . ?
N3 C10 C11 C12 47.7(4) . . . . ?
C9 C10 C11 C12 -134.1(3) . . . . ?
K3 C10 C11 C12 62.8(2) . . . . ?
N3 C10 C11 K3 -15.0(2) . . . . ?
C9 C10 C11 K3 163.18(18) . . . . ?
N3 K3 C11 C12 -127.59(16) . . . . ?
N3 K3 C11 C12 -105.09(14) 4 . . . ?
N4 K3 C11 C12 160.37(12) 4 . . . ?
N4 K3 C11 C12 -27.53(12) . . . . ?
C12 K3 C11 C12 138.4(2) 4 . . . ?
C11 K3 C11 C12 -115.89(13) 4 . . . ?
C10 K3 C11 C12 -135.7(2) . . . . ?
C10 K3 C11 C12 -99.16(16) 4 . . . ?
C20 K3 C11 C12 74.11(17) 4 . . . ?
K1 K3 C11 C12 -75.83(13) . . . . ?
N3 K3 C11 C10 8.11(11) . . . . ?
N3 K3 C11 C10 30.60(15) 4 . . . ?
N4 K3 C11 C10 -63.94(15) 4 . . . ?
N4 K3 C11 C10 108.17(14) . . . . ?
C12 K3 C11 C10 -85.92(19) 4 . . . ?
C12 K3 C11 C10 135.7(2) . . . . ?
C11 K3 C11 C10 19.80(12) 4 . . . ?
C10 K3 C11 C10 36.5(2) 4 . . . ?
C20 K3 C11 C10 -150.20(13) 4 . . . ?
K1 K3 C11 C10 59.87(12) . . . . ?
C33 N4 C12 C11 144.8(2) . . . . ?
K3 N4 C12 C11 -63.0(2) . . . . ?
K1 N4 C12 C11 12.7(3) . . . . ?
C33 N4 C12 C17 -44.3(3) . . . . ?
K3 N4 C12 C17 107.9(2) . . . . ?
K1 N4 C12 C17 -176.42(15) . . . . ?
C33 N4 C12 K3 -152.2(2) . . . . ?
K1 N4 C12 K3 75.67(15) . . . . ?
C10 C11 C12 N4 -10.9(4) . . . . ?
K3 C11 C12 N4 57.2(2) . . . . ?
C10 C11 C12 C17 177.6(2) . . . . ?
K3 C11 C12 C17 -114.29(19) . . . . ?
C10 C11 C12 K3 -68.1(3) . . . . ?
N3 K3 C12 N4 -89.86(13) . . . . ?
N3 K3 C12 N4 -34.74(15) 4 . . . ?
N4 K3 C12 N4 -167.25(17) 4 . . . ?
C12 K3 C12 N4 115.26(12) 4 . . . ?
C11 K3 C12 N4 -130.1(2) . . . . ?
C11 K3 C12 N4 38.5(2) 4 . . . ?
C10 K3 C12 N4 -105.83(14) . . . . ?
C10 K3 C12 N4 -9.06(18) 4 . . . ?
C20 K3 C12 N4 107.02(14) 4 . . . ?
K1 K3 C12 N4 -34.84(11) . . . . ?
N3 K3 C12 C11 40.27(13) . . . . ?
N3 K3 C12 C11 95.40(14) 4 . . . ?
N4 K3 C12 C11 -37.1(2) 4 . . . ?
N4 K3 C12 C11 130.1(2) . . . . ?
C12 K3 C12 C11 -114.61(13) 4 . . . ?
C11 K3 C12 C11 168.6(2) 4 . . . ?
C10 K3 C12 C11 24.30(12) . . . . ?
C10 K3 C12 C11 121.08(14) 4 . . . ?
C20 K3 C12 C11 -122.85(15) 4 . . . ?
K1 K3 C12 C11 95.30(13) . . . . ?
N3 K3 C12 C17 153.82(19) . . . . ?
N3 K3 C12 C17 -151.05(16) 4 . . . ?
N4 K3 C12 C17 76.4(2) 4 . . . ?
N4 K3 C12 C17 -116.3(2) . . . . ?
C12 K3 C12 C17 -1.05(17) 4 . . . ?
C11 K3 C12 C17 113.6(2) . . . . ?
C11 K3 C12 C17 -77.8(2) 4 . . . ?
C10 K3 C12 C17 137.9(2) . . . . ?
C10 K3 C12 C17 -125.37(17) 4 . . . ?
C20 K3 C12 C17 -9.3(2) 4 . . . ?
K1 K3 C12 C17 -151.15(18) . . . . ?
N1 C1 C13 C14 18.6(4) . . . . ?
C2 C1 C13 C14 -168.5(3) . . . . ?
K2 C1 C13 C14 97.7(2) . . . . ?
N1 C1 C13 C16 -102.0(3) . . . . ?
C2 C1 C13 C16 71.0(3) . . . . ?
K2 C1 C13 C16 -22.8(3) . . . . ?
N1 C1 C13 C15 139.3(3) . . . . ?
C2 C1 C13 C15 -47.8(3) . . . . ?
K2 C1 C13 C15 -141.6(2) . . . . ?
N4 C12 C17 C18 21.7(4) . . . . ?
C11 C12 C17 C18 -166.8(3) . . . . ?
K3 C12 C17 C18 101.6(3) . . . . ?
N4 C12 C17 C19 143.6(3) . . . . ?
C11 C12 C17 C19 -44.9(4) . . . . ?
K3 C12 C17 C19 -136.5(3) . . . . ?
N4 C12 C17 C20 -95.6(3) . . . . ?
C11 C12 C17 C20 75.9(3) . . . . ?
K3 C12 C17 C20 -15.7(3) . . . . ?
C1 N1 C21 C22 131.1(2) . . . . ?
K2 N1 C21 C22 -7.0(3) . . . . ?
K1 N1 C21 C22 -83.36(19) 4 . . . ?
C1 N1 C21 C26 -58.6(3) . . . . ?
K2 N1 C21 C26 163.30(16) . . . . ?
K1 N1 C21 C26 86.92(19) 4 . . . ?
C1 N1 C21 K1 -145.5(2) . . . 4 ?
K2 N1 C21 K1 76.38(15) . . . 4 ?
N1 C21 C22 C23 168.2(2) . . . . ?
C26 C21 C22 C23 -2.2(3) . . . . ?
K1 C21 C22 C23 101.8(2) 4 . . . ?
N1 C21 C22 C30 -11.4(3) . . . . ?
C26 C21 C22 C30 178.1(2) . . . . ?
K1 C21 C22 C30 -77.8(2) 4 . . . ?
N1 C21 C22 K1 66.41(16) . . . 4 ?
C26 C21 C22 K1 -104.0(2) . . . 4 ?
C21 C22 C23 C24 1.0(4) . . . . ?
C30 C22 C23 C24 -179.3(3) . . . . ?
K1 C22 C23 C24 69.4(3) 4 . . . ?
C22 C23 C24 C25 0.6(5) . . . . ?
C23 C24 C25 C26 -1.1(6) . . . . ?
C24 C25 C26 C21 -0.1(5) . . . . ?
C24 C25 C26 C27 -177.8(3) . . . . ?
C22 C21 C26 C25 1.7(4) . . . . ?
N1 C21 C26 C25 -168.7(2) . . . . ?
K1 C21 C26 C25 -100.5(3) 4 . . . ?
C22 C21 C26 C27 179.4(2) . . . . ?
N1 C21 C26 C27 9.0(3) . . . . ?
K1 C21 C26 C27 77.2(2) 4 . . . ?
C25 C26 C27 C29 91.7(3) . . . . ?
C21 C26 C27 C29 -85.9(3) . . . . ?
C25 C26 C27 C28 -34.4(4) . . . . ?
C21 C26 C27 C28 148.0(2) . . . . ?
C23 C22 C30 C31 -65.3(4) . . . . ?
C21 C22 C30 C31 114.3(4) . . . . ?
K1 C22 C30 C31 55.5(3) 4 . . . ?
C23 C22 C30 C32 58.3(4) . . . . ?
C21 C22 C30 C32 -122.1(3) . . . . ?
K1 C22 C30 C32 179.1(3) 4 . . . ?
C12 N4 C33 C38 129.2(2) . . . . ?
K3 N4 C33 C38 -5.0(3) . . . . ?
K1 N4 C33 C38 -83.5(2) . . . . ?
C12 N4 C33 C34 -59.2(3) . . . . ?
K3 N4 C33 C34 166.61(16) . . . . ?
K1 N4 C33 C34 88.1(2) . . . . ?
C12 N4 C33 K1 -147.3(2) . . . . ?
K3 N4 C33 K1 78.55(17) . . . . ?
N1 K1 C33 N4 178.27(12) 4 . . . ?
N2 K1 C33 N4 -69.91(14) 4 . . . ?
N3 K1 C33 N4 11.71(13) . . . . ?
C21 K1 C33 N4 157.11(12) 4 . . . ?
N3 K1 C33 N4 -58.06(13) 4 . . . ?
N2 K1 C33 N4 16.58(14) . . . . ?
C22 K1 C33 N4 130.05(12) 4 . . . ?
C29 K1 C33 N4 -150.50(14) 4 . . . ?
K2 K1 C33 N4 7.0(3) . . . . ?
K3 K1 C33 N4 -30.40(11) . . . . ?
N4 K1 C33 C38 119.4(2) . . . . ?
N1 K1 C33 C38 -62.34(19) 4 . . . ?
N2 K1 C33 C38 49.48(17) 4 . . . ?
N3 K1 C33 C38 131.10(15) . . . . ?
C21 K1 C33 C38 -83.50(16) 4 . . . ?
N3 K1 C33 C38 61.33(15) 4 . . . ?
N2 K1 C33 C38 135.97(14) . . . . ?
C22 K1 C33 C38 -110.56(15) 4 . . . ?
C29 K1 C33 C38 -31.11(16) 4 . . . ?
K2 K1 C33 C38 126.42(17) . . . . ?
K3 K1 C33 C38 88.99(14) . . . . ?
N4 K1 C33 C34 -119.4(2) . . . . ?
N1 K1 C33 C34 58.9(2) 4 . . . ?
N2 K1 C33 C34 170.72(14) 4 . . . ?
N3 K1 C33 C34 -107.66(16) . . . . ?
C21 K1 C33 C34 37.74(18) 4 . . . ?
N3 K1 C33 C34 -177.43(15) 4 . . . ?
N2 K1 C33 C34 -102.79(16) . . . . ?
C22 K1 C33 C34 10.68(18) 4 . . . ?
C29 K1 C33 C34 90.12(17) 4 . . . ?
K2 K1 C33 C34 -112.34(19) . . . . ?
K3 K1 C33 C34 -149.77(16) . . . . ?
N4 C33 C34 C35 -170.8(2) . . . . ?
C38 C33 C34 C35 0.8(3) . . . . ?
K1 C33 C34 C35 -104.3(2) . . . . ?
N4 C33 C34 C42 8.4(3) . . . . ?
C38 C33 C34 C42 -179.9(2) . . . . ?
K1 C33 C34 C42 74.9(2) . . . . ?
C33 C34 C35 C36 0.8(4) . . . . ?
C42 C34 C35 C36 -178.5(3) . . . . ?
C34 C35 C36 C37 -1.9(5) . . . . ?
C35 C36 C37 C38 1.3(5) . . . . ?
C36 C37 C38 C33 0.3(4) . . . . ?
C36 C37 C38 C39 -177.0(3) . . . . ?
N4 C33 C38 C37 170.4(2) . . . . ?
C34 C33 C38 C37 -1.4(4) . . . . ?
K1 C33 C38 C37 106.3(2) . . . . ?
N4 C33 C38 C39 -12.3(3) . . . . ?
C34 C33 C38 C39 175.9(2) . . . . ?
K1 C33 C38 C39 -76.5(2) . . . . ?
C37 C38 C39 C40 -70.3(4) . . . . ?
C33 C38 C39 C40 112.4(3) . . . . ?
C37 C38 C39 C41 54.1(4) . . . . ?
C33 C38 C39 C41 -123.2(3) . . . . ?
C35 C34 C42 C43 100.0(3) . . . . ?
C33 C34 C42 C43 -79.3(3) . . . . ?
C35 C34 C42 C44 -27.1(4) . . . . ?
C33 C34 C42 C44 153.6(3) . . . . ?
C45 C46 O1 C47 -147(4) . . . . ?
C46 O1 C47 C48 157(3) . . . . ?
C45' C46' O1' C47' -154(3) . . . . ?
C46' O1' C47' C48' 136(4) . . . . ?
