#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:46:13 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178792 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/46/4104663.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_4104663
loop_
_publ_author_name
'Keying Ding'
'Aaron W. Pierpont'
'William W. Brennessel'
'Gudrun Lukat-Rodgers'
'Kenton R. Rodgers'
'Thomas R. Cundari'
'Eckhard Bill'
'Patrick L. Holland'
_publ_section_title
;
 Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9471
_journal_page_last               9472
_journal_paper_doi               10.1021/ja808783u
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C70 H106 Co2 K2 N6'
_chemical_formula_sum            'C70 H106 Co2 K2 N6'
_chemical_formula_weight         1227.67
_chemical_name_common            holkd14
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 100.242(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.557(4)
_cell_length_b                   21.451(4)
_cell_length_c                   15.372(3)
_cell_measurement_reflns_used    3992
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      2.33
_cell_volume                     7320(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0652
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            65540
_diffrn_reflns_theta_full        32.58
_diffrn_reflns_theta_max         32.58
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.607
_exptl_absorpt_correction_T_max  0.9761
_exptl_absorpt_correction_T_min  0.8780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2007)'
_exptl_crystal_colour            purple-black
_exptl_crystal_density_diffrn    1.114
_exptl_crystal_description       plate
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         13278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0454
_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)+(0.0486P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                8583
_reflns_number_total             13278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja808783u_si_002_3.cif
_cod_data_source_block           K2LCoNNCoL
_cod_database_code               4104663
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Co1 Co 0.397247(9) 0.234852(9) 0.262421(14) 0.01451(5) Uani 1 1 d .
K1 K 0.5000 0.11106(2) 0.2500 0.02232(11) Uani 1 2 d S
K2 K 0.5000 0.35690(2) 0.2500 0.02252(11) Uani 1 2 d S
N1 N 0.47334(5) 0.23403(6) 0.25261(9) 0.0176(3) Uani 1 1 d .
N11 N 0.34484(6) 0.17290(6) 0.29885(9) 0.0158(3) Uani 1 1 d .
N21 N 0.33630(5) 0.29915(6) 0.24238(8) 0.0139(2) Uani 1 1 d .
C11 C 0.24540(7) 0.13269(7) 0.34420(11) 0.0200(3) Uani 1 1 d .
C21 C 0.28677(7) 0.18083(7) 0.30717(10) 0.0159(3) Uani 1 1 d .
C31 C 0.25769(7) 0.23759(7) 0.28312(10) 0.0169(3) Uani 1 1 d .
H31A H 0.2166 0.2385 0.2895 0.020 Uiso 1 1 calc R
C41 C 0.27830(6) 0.29342(7) 0.25126(10) 0.0145(3) Uani 1 1 d .
C51 C 0.22700(7) 0.34320(7) 0.22726(11) 0.0172(3) Uani 1 1 d .
C61 C 0.22513(10) 0.16197(9) 0.42571(14) 0.0378(5) Uani 1 1 d .
H61A H 0.1999 0.1322 0.4509 0.057 Uiso 1 1 calc R
H61B H 0.2020 0.2000 0.4080 0.057 Uiso 1 1 calc R
H61C H 0.2606 0.1723 0.4700 0.057 Uiso 1 1 calc R
C71 C 0.27224(8) 0.06842(8) 0.37471(15) 0.0345(5) Uani 1 1 d .
H71A H 0.2418 0.0435 0.3972 0.052 Uiso 1 1 calc R
H71B H 0.3074 0.0742 0.4216 0.052 Uiso 1 1 calc R
H71C H 0.2845 0.0468 0.3246 0.052 Uiso 1 1 calc R
C81 C 0.18998(9) 0.11872(9) 0.27310(15) 0.0359(5) Uani 1 1 d .
H81A H 0.1636 0.0893 0.2966 0.054 Uiso 1 1 calc R
H81B H 0.2030 0.1005 0.2211 0.054 Uiso 1 1 calc R
H81C H 0.1680 0.1575 0.2562 0.054 Uiso 1 1 calc R
C91 C 0.24278(7) 0.40718(7) 0.19199(12) 0.0216(3) Uani 1 1 d .
H91A H 0.2061 0.4323 0.1770 0.032 Uiso 1 1 calc R
H91B H 0.2608 0.4013 0.1391 0.032 Uiso 1 1 calc R
H91C H 0.2715 0.4287 0.2375 0.032 Uiso 1 1 calc R
C101 C 0.17821(7) 0.31530(8) 0.15469(12) 0.0236(3) Uani 1 1 d .
H10A H 0.1453 0.3454 0.1391 0.035 Uiso 1 1 calc R
H10B H 0.1625 0.2769 0.1766 0.035 Uiso 1 1 calc R
H10C H 0.1958 0.3060 0.1023 0.035 Uiso 1 1 calc R
C111 C 0.19899(8) 0.35712(8) 0.30989(12) 0.0237(3) Uani 1 1 d .
H11A H 0.1654 0.3864 0.2943 0.036 Uiso 1 1 calc R
H11B H 0.2296 0.3756 0.3559 0.036 Uiso 1 1 calc R
H11C H 0.1842 0.3183 0.3319 0.036 Uiso 1 1 calc R
C12 C 0.37499(7) 0.11439(7) 0.31091(11) 0.0170(3) Uani 1 1 d .
C22 C 0.41358(7) 0.10079(8) 0.39156(11) 0.0214(3) Uani 1 1 d .
C32 C 0.44432(8) 0.04402(8) 0.40060(13) 0.0272(4) Uani 1 1 d .
H32A H 0.4704 0.0348 0.4547 0.033 Uiso 1 1 calc R
C42 C 0.43768(8) 0.00075(8) 0.33243(13) 0.0270(4) Uani 1 1 d .
H42A H 0.4584 -0.0380 0.3402 0.032 Uiso 1 1 calc R
C52 C 0.40069(7) 0.01454(7) 0.25335(12) 0.0229(3) Uani 1 1 d .
H52A H 0.3964 -0.0149 0.2065 0.027 Uiso 1 1 calc R
C62 C 0.36915(7) 0.07118(7) 0.24055(11) 0.0187(3) Uani 1 1 d .
C72 C 0.42179(8) 0.14631(9) 0.46837(12) 0.0272(4) Uani 1 1 d .
H72A H 0.3917 0.1806 0.4534 0.033 Uiso 1 1 calc R
C82 C 0.41094(10) 0.11519(11) 0.55482(14) 0.0429(5) Uani 1 1 d .
H82A H 0.3705 0.0968 0.5455 0.064 Uiso 1 1 calc R
H82B H 0.4143 0.1466 0.6018 0.064 Uiso 1 1 calc R
H82C H 0.4411 0.0825 0.5721 0.064 Uiso 1 1 calc R
C92 C 0.48383(9) 0.17491(10) 0.48318(14) 0.0389(5) Uani 1 1 d .
H92A H 0.4912 0.1937 0.4280 0.058 Uiso 1 1 calc R
H92B H 0.5140 0.1425 0.5022 0.058 Uiso 1 1 calc R
H92C H 0.4866 0.2071 0.5290 0.058 Uiso 1 1 calc R
C102 C 0.33116(7) 0.08547(7) 0.15074(11) 0.0206(3) Uani 1 1 d .
H10D H 0.3022 0.1193 0.1590 0.025 Uiso 1 1 calc R
C112 C 0.29448(9) 0.02932(8) 0.11014(13) 0.0314(4) Uani 1 1 d .
H11D H 0.2711 0.0125 0.1528 0.047 Uiso 1 1 calc R
H11E H 0.3218 -0.0029 0.0952 0.047 Uiso 1 1 calc R
H11F H 0.2671 0.0424 0.0565 0.047 Uiso 1 1 calc R
C122 C 0.37139(9) 0.10993(9) 0.08764(13) 0.0323(4) Uani 1 1 d .
H12A H 0.3464 0.1204 0.0306 0.048 Uiso 1 1 calc R
H12B H 0.4006 0.0777 0.0789 0.048 Uiso 1 1 calc R
H12C H 0.3928 0.1473 0.1130 0.048 Uiso 1 1 calc R
C13 C 0.36140(7) 0.35593(7) 0.21759(10) 0.0151(3) Uani 1 1 d .
C23 C 0.37020(7) 0.36418(7) 0.12966(10) 0.0165(3) Uani 1 1 d .
C33 C 0.39610(7) 0.41963(7) 0.10656(11) 0.0211(3) Uani 1 1 d .
H33A H 0.4020 0.4254 0.0474 0.025 Uiso 1 1 calc R
C43 C 0.41329(8) 0.46624(7) 0.16824(12) 0.0241(4) Uani 1 1 d .
H43A H 0.4303 0.5039 0.1513 0.029 Uiso 1 1 calc R
C53 C 0.40549(7) 0.45759(7) 0.25486(12) 0.0211(3) Uani 1 1 d .
H53A H 0.4176 0.4896 0.2969 0.025 Uiso 1 1 calc R
C63 C 0.38027(7) 0.40299(7) 0.28197(11) 0.0164(3) Uani 1 1 d .
C73 C 0.35188(7) 0.31436(7) 0.05907(10) 0.0195(3) Uani 1 1 d .
H73A H 0.3337 0.2788 0.0872 0.023 Uiso 1 1 calc R
C83 C 0.30478(8) 0.33811(9) -0.01771(12) 0.0303(4) Uani 1 1 d .
H83A H 0.2685 0.3510 0.0045 0.045 Uiso 1 1 calc R
H83B H 0.2945 0.3048 -0.0614 0.045 Uiso 1 1 calc R
H83C H 0.3211 0.3738 -0.0455 0.045 Uiso 1 1 calc R
C93 C 0.40727(8) 0.28978(9) 0.02548(12) 0.0283(4) Uani 1 1 d .
H93A H 0.4374 0.2759 0.0757 0.042 Uiso 1 1 calc R
H93B H 0.4243 0.3230 -0.0061 0.042 Uiso 1 1 calc R
H93C H 0.3956 0.2546 -0.0147 0.042 Uiso 1 1 calc R
C103 C 0.37366(7) 0.39356(7) 0.37785(11) 0.0201(3) Uani 1 1 d .
H10E H 0.3363 0.3686 0.3780 0.024 Uiso 1 1 calc R
C113 C 0.36695(9) 0.45466(8) 0.42672(12) 0.0288(4) Uani 1 1 d .
H11G H 0.3595 0.4454 0.4863 0.043 Uiso 1 1 calc R
H11H H 0.3330 0.4785 0.3943 0.043 Uiso 1 1 calc R
H11I H 0.4040 0.4791 0.4309 0.043 Uiso 1 1 calc R
C123 C 0.42675(9) 0.35597(9) 0.42794(12) 0.0324(4) Uani 1 1 d .
H12D H 0.4200 0.3475 0.4881 0.049 Uiso 1 1 calc R
H12E H 0.4640 0.3799 0.4306 0.049 Uiso 1 1 calc R
H12F H 0.4301 0.3165 0.3971 0.049 Uiso 1 1 calc R
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Co1 N11 132.85(6) . .
N1 Co1 N21 132.40(6) . .
N11 Co1 N21 94.75(5) . .
N1 Co1 K2 48.56(4) . .
N11 Co1 K2 166.29(4) . .
N21 Co1 K2 85.25(4) . .
N1 Co1 K1 47.80(4) . .
N11 Co1 K1 86.56(4) . .
N21 Co1 K1 167.75(4) . .
K2 Co1 K1 96.358(15) . .
N1 K1 N1 26.03(5) 2_655 .
N1 K1 C62 119.21(4) 2_655 .
N1 K1 C62 93.35(4) . .
N1 K1 C62 93.35(4) 2_655 2_655
N1 K1 C62 119.21(4) . 2_655
C62 K1 C62 147.43(6) . 2_655
N1 K1 C52 145.63(4) 2_655 .
N1 K1 C52 119.62(4) . .
C62 K1 C52 26.57(4) . .
C62 K1 C52 120.97(5) 2_655 .
N1 K1 C52 119.62(4) 2_655 2_655
N1 K1 C52 145.63(4) . 2_655
C62 K1 C52 120.97(5) . 2_655
C62 K1 C52 26.57(4) 2_655 2_655
C52 K1 C52 94.75(6) . 2_655
N1 K1 C12 101.35(4) 2_655 .
N1 K1 C12 76.04(4) . .
C62 K1 C12 26.40(4) . .
C62 K1 C12 155.30(4) 2_655 .
C52 K1 C12 46.20(4) . .
C52 K1 C12 136.31(4) 2_655 .
N1 K1 C12 76.04(4) 2_655 2_655
N1 K1 C12 101.35(4) . 2_655
C62 K1 C12 155.30(4) . 2_655
C62 K1 C12 26.40(4) 2_655 2_655
C52 K1 C12 136.31(4) . 2_655
C52 K1 C12 46.20(4) 2_655 2_655
C12 K1 C12 177.39(6) . 2_655
N1 K1 C42 149.17(4) 2_655 .
N1 K1 C42 127.81(4) . .
C62 K1 C42 46.19(4) . .
C62 K1 C42 105.59(4) 2_655 .
C52 K1 C42 25.70(5) . .
C52 K1 C42 83.00(5) 2_655 .
C12 K1 C42 53.31(4) . .
C12 K1 C42 129.19(4) 2_655 .
N1 K1 C42 127.81(4) 2_655 2_655
N1 K1 C42 149.17(4) . 2_655
C62 K1 C42 105.59(4) . 2_655
C62 K1 C42 46.19(4) 2_655 2_655
C52 K1 C42 83.00(5) . 2_655
C52 K1 C42 25.70(5) 2_655 2_655
C12 K1 C42 129.19(4) . 2_655
C12 K1 C42 53.31(4) 2_655 2_655
C42 K1 C42 81.89(7) . 2_655
N1 K1 C32 124.82(4) 2_655 .
N1 K1 C32 108.27(4) . .
C62 K1 C32 53.26(5) . .
C62 K1 C32 110.10(5) 2_655 .
C52 K1 C32 45.05(5) . .
C52 K1 C32 95.26(5) 2_655 .
C12 K1 C32 45.22(4) . .
C12 K1 C32 136.47(4) 2_655 .
C42 K1 C32 25.44(5) . .
C42 K1 C32 102.55(5) 2_655 .
N1 K1 C32 108.27(4) 2_655 2_655
N1 K1 C32 124.82(4) . 2_655
C62 K1 C32 110.10(5) . 2_655
C62 K1 C32 53.26(5) 2_655 2_655
C52 K1 C32 95.26(5) . 2_655
C52 K1 C32 45.05(5) 2_655 2_655
C12 K1 C32 136.47(4) . 2_655
C12 K1 C32 45.22(4) 2_655 2_655
C42 K1 C32 102.55(5) . 2_655
C42 K1 C32 25.44(5) 2_655 2_655
C32 K1 C32 126.01(7) . 2_655
N1 K1 C22 104.05(4) 2_655 .
N1 K1 C22 83.83(4) . .
C62 K1 C22 46.14(5) . .
C62 K1 C22 130.85(4) 2_655 .
C52 K1 C22 53.19(5) . .
C52 K1 C22 120.34(5) 2_655 .
C12 K1 C22 25.89(4) . .
C12 K1 C22 154.53(4) 2_655 .
C42 K1 C22 45.28(4) . .
C42 K1 C22 126.78(5) 2_655 .
C32 K1 C22 25.42(4) . .
C32 K1 C22 147.16(5) 2_655 .
N1 K1 C22 83.83(4) 2_655 2_655
N1 K1 C22 104.05(4) . 2_655
C62 K1 C22 130.85(4) . 2_655
C62 K1 C22 46.14(5) 2_655 2_655
C52 K1 C22 120.34(5) . 2_655
C52 K1 C22 53.19(5) 2_655 2_655
C12 K1 C22 154.53(4) . 2_655
C12 K1 C22 25.89(4) 2_655 2_655
C42 K1 C22 126.78(5) . 2_655
C42 K1 C22 45.28(4) 2_655 2_655
C32 K1 C22 147.16(5) . 2_655
C32 K1 C22 25.42(4) 2_655 2_655
C22 K1 C22 172.04(6) . 2_655
N1 K1 C122 81.85(4) 2_655 2_655
N1 K1 C122 98.95(4) . 2_655
C62 K1 C122 135.17(5) . 2_655
C62 K1 C122 44.51(4) 2_655 2_655
C52 K1 C122 120.25(5) . 2_655
C52 K1 C122 59.11(5) 2_655 2_655
C12 K1 C122 117.87(4) . 2_655
C12 K1 C122 62.15(5) 2_655 2_655
C42 K1 C122 94.68(5) . 2_655
C42 K1 C122 84.71(5) 2_655 2_655
C32 K1 C122 82.00(5) . 2_655
C32 K1 C122 97.63(5) 2_655 2_655
C22 K1 C122 92.47(5) . 2_655
C22 K1 C122 87.47(5) 2_655 2_655
N1 K1 Co1 28.60(3) 2_655 2_655
N1 K1 Co1 54.64(3) . 2_655
C62 K1 Co1 147.34(3) . 2_655
C62 K1 Co1 65.00(3) 2_655 2_655
C52 K1 Co1 173.80(3) . 2_655
C52 K1 Co1 91.05(3) 2_655 2_655
C12 K1 Co1 129.13(3) . 2_655
C12 K1 Co1 48.31(3) 2_655 2_655
C42 K1 Co1 158.50(4) . 2_655
C42 K1 Co1 101.47(3) 2_655 2_655
C32 K1 Co1 136.54(4) . 2_655
C32 K1 Co1 87.30(3) 2_655 2_655
C22 K1 Co1 125.06(3) . 2_655
C22 K1 Co1 61.92(3) 2_655 2_655
C122 K1 Co1 64.81(4) 2_655 2_655
N1 K1 Co1 54.64(3) 2_655 .
N1 K1 Co1 28.60(3) . .
C62 K1 Co1 65.00(3) . .
C62 K1 Co1 147.34(3) 2_655 .
C52 K1 Co1 91.05(3) . .
C52 K1 Co1 173.80(3) 2_655 .
C12 K1 Co1 48.31(3) . .
C12 K1 Co1 129.13(3) 2_655 .
C42 K1 Co1 101.47(3) . .
C42 K1 Co1 158.50(4) 2_655 .
C32 K1 Co1 87.30(3) . .
C32 K1 Co1 136.54(4) 2_655 .
C22 K1 Co1 61.92(3) . .
C22 K1 Co1 125.06(3) 2_655 .
C122 K1 Co1 115.86(3) 2_655 .
Co1 K1 Co1 83.240(18) 2_655 .
N1 K2 N1 26.05(5) . 2_655
N1 K2 C63 96.30(4) . .
N1 K2 C63 122.20(4) 2_655 .
N1 K2 C63 122.20(4) . 2_655
N1 K2 C63 96.30(4) 2_655 2_655
C63 K2 C63 141.49(6) . 2_655
N1 K2 C53 122.16(4) . .
N1 K2 C53 148.20(4) 2_655 .
C63 K2 C53 26.73(4) . .
C63 K2 C53 115.17(5) 2_655 .
N1 K2 C53 148.20(4) . 2_655
N1 K2 C53 122.16(4) 2_655 2_655
C63 K2 C53 115.17(4) . 2_655
C63 K2 C53 26.73(4) 2_655 2_655
C53 K2 C53 89.64(6) . 2_655
N1 K2 C13 76.92(4) . .
N1 K2 C13 102.30(4) 2_655 .
C63 K2 C13 27.09(4) . .
C63 K2 C13 153.48(4) 2_655 .
C53 K2 C13 46.62(4) . .
C53 K2 C13 134.14(4) 2_655 .
N1 K2 C13 102.30(4) . 2_655
N1 K2 C13 76.92(4) 2_655 2_655
C63 K2 C13 153.48(4) . 2_655
C63 K2 C13 27.09(4) 2_655 2_655
C53 K2 C13 134.14(4) . 2_655
C53 K2 C13 46.62(4) 2_655 2_655
C13 K2 C13 179.22(6) . 2_655
N1 K2 C43 147.01(4) . 2_655
N1 K2 C43 127.16(4) 2_655 2_655
C63 K2 C43 101.63(4) . 2_655
C63 K2 C43 46.37(4) 2_655 2_655
C53 K2 C43 81.41(5) . 2_655
C53 K2 C43 25.69(5) 2_655 2_655
C13 K2 C43 127.39(4) . 2_655
C13 K2 C43 53.33(4) 2_655 2_655
N1 K2 C43 127.16(4) . .
N1 K2 C43 147.01(4) 2_655 .
C63 K2 C43 46.37(4) . .
C63 K2 C43 101.63(4) 2_655 .
C53 K2 C43 25.69(5) . .
C53 K2 C43 81.41(5) 2_655 .
C13 K2 C43 53.34(4) . .
C13 K2 C43 127.39(4) 2_655 .
C43 K2 C43 84.45(6) 2_655 .
N1 K2 C23 82.66(4) . .
N1 K2 C23 102.92(4) 2_655 .
C63 K2 C23 46.79(4) . .
C63 K2 C23 130.71(4) 2_655 .
C53 K2 C23 53.32(4) . .
C53 K2 C23 121.85(4) 2_655 .
C13 K2 C23 26.03(4) . .
C13 K2 C23 154.06(4) 2_655 .
C43 K2 C23 129.41(4) 2_655 .
C43 K2 C23 44.96(4) . .
N1 K2 C23 102.92(4) . 2_655
N1 K2 C23 82.66(4) 2_655 2_655
C63 K2 C23 130.71(4) . 2_655
C63 K2 C23 46.79(4) 2_655 2_655
C53 K2 C23 121.85(4) . 2_655
C53 K2 C23 53.32(4) 2_655 2_655
C13 K2 C23 154.06(4) . 2_655
C13 K2 C23 26.03(4) 2_655 2_655
C43 K2 C23 44.96(4) 2_655 2_655
C43 K2 C23 129.41(4) . 2_655
C23 K2 C23 174.37(6) . 2_655
N1 K2 C33 122.32(4) . 2_655
N1 K2 C33 106.33(4) 2_655 2_655
C63 K2 C33 108.53(4) . 2_655
C63 K2 C33 53.56(4) 2_655 2_655
C53 K2 C33 96.58(4) . 2_655
C53 K2 C33 44.89(5) 2_655 2_655
C13 K2 C33 135.23(4) . 2_655
C13 K2 C33 45.23(4) 2_655 2_655
C43 K2 C33 25.06(4) 2_655 2_655
C43 K2 C33 106.61(5) . 2_655
C23 K2 C33 149.67(4) . 2_655
C23 K2 C33 25.27(4) 2_655 2_655
N1 K2 C33 106.33(4) . .
N1 K2 C33 122.32(4) 2_655 .
C63 K2 C33 53.56(4) . .
C63 K2 C33 108.53(4) 2_655 .
C53 K2 C33 44.89(5) . .
C53 K2 C33 96.58(4) 2_655 .
C13 K2 C33 45.23(4) . .
C13 K2 C33 135.23(4) 2_655 .
C43 K2 C33 106.61(5) 2_655 .
C43 K2 C33 25.06(4) . .
C23 K2 C33 25.27(4) . .
C23 K2 C33 149.67(4) 2_655 .
C33 K2 C33 130.50(6) 2_655 .
N1 K2 C123 98.37(4) . 2_655
N1 K2 C123 80.97(4) 2_655 2_655
C63 K2 C123 134.98(5) . 2_655
C63 K2 C123 45.33(4) 2_655 2_655
C53 K2 C123 117.47(5) . 2_655
C53 K2 C123 63.06(4) 2_655 2_655
C13 K2 C123 119.30(4) . 2_655
C13 K2 C123 60.70(4) 2_655 2_655
C43 K2 C123 88.27(5) 2_655 2_655
C43 K2 C123 92.23(5) . 2_655
C23 K2 C123 93.47(4) . 2_655
C23 K2 C123 86.56(4) 2_655 2_655
C33 K2 C123 98.82(4) 2_655 2_655
C33 K2 C123 81.46(5) . 2_655
N1 K2 Co1 29.00(3) . .
N1 K2 Co1 55.05(3) 2_655 .
C63 K2 Co1 67.40(3) . .
C63 K2 Co1 150.96(3) 2_655 .
C53 K2 Co1 93.18(3) . .
C53 K2 Co1 176.68(3) 2_655 .
C13 K2 Co1 49.06(3) . .
C13 K2 Co1 130.18(3) 2_655 .
C43 K2 Co1 153.42(3) 2_655 .
C43 K2 Co1 101.88(3) . .
C23 K2 Co1 61.39(3) . .
C23 K2 Co1 123.49(3) 2_655 .
C33 K2 Co1 132.87(3) 2_655 .
C33 K2 Co1 86.66(3) . .
C123 K2 Co1 116.90(3) 2_655 .
N1 K2 Co1 55.05(3) . 2_655
N1 K2 Co1 29.00(3) 2_655 2_655
C63 K2 Co1 150.96(3) . 2_655
C63 K2 Co1 67.40(3) 2_655 2_655
C53 K2 Co1 176.68(3) . 2_655
C53 K2 Co1 93.18(3) 2_655 2_655
C13 K2 Co1 130.18(3) . 2_655
C13 K2 Co1 49.06(3) 2_655 2_655
C43 K2 Co1 101.88(3) 2_655 2_655
C43 K2 Co1 153.42(3) . 2_655
C23 K2 Co1 123.49(3) . 2_655
C23 K2 Co1 61.39(3) 2_655 2_655
C33 K2 Co1 86.66(3) 2_655 2_655
C33 K2 Co1 132.87(3) . 2_655
C123 K2 Co1 62.54(3) 2_655 2_655
Co1 K2 Co1 84.044(18) . 2_655
N1 N1 Co1 178.70(16) 2_655 .
N1 N1 K2 76.97(3) 2_655 .
Co1 N1 K2 102.44(5) . .
N1 N1 K1 76.98(3) 2_655 .
Co1 N1 K1 103.59(5) . .
K2 N1 K1 153.96(5) . .
C21 N11 C12 123.21(12) . .
C21 N11 Co1 126.64(10) . .
C12 N11 Co1 110.03(9) . .
C41 N21 C13 123.08(12) . .
C41 N21 Co1 126.56(10) . .
C13 N21 Co1 110.35(9) . .
C81 C11 C61 109.65(16) . .
C81 C11 C71 105.50(15) . .
C61 C11 C71 105.88(15) . .
C81 C11 C21 109.40(14) . .
C61 C11 C21 107.99(13) . .
C71 C11 C21 118.18(13) . .
N11 C21 C31 120.08(13) . .
N11 C21 C11 127.09(13) . .
C31 C21 C11 112.82(13) . .
C21 C31 C41 131.67(14) . .
C21 C31 H31A 114.2 . .
C41 C31 H31A 114.2 . .
N21 C41 C31 120.11(13) . .
N21 C41 C51 127.14(13) . .
C31 C41 C51 112.73(12) . .
C91 C51 C101 105.73(13) . .
C91 C51 C111 105.73(13) . .
C101 C51 C111 109.05(13) . .
C91 C51 C41 118.81(13) . .
C101 C51 C41 107.91(12) . .
C111 C51 C41 109.29(13) . .
C11 C61 H61A 109.5 . .
C11 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C11 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C11 C71 H71A 109.5 . .
C11 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C11 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C11 C81 H81A 109.5 . .
C11 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C11 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C51 C91 H91A 109.5 . .
C51 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C51 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
C51 C101 H10A 109.5 . .
C51 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C51 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
C51 C111 H11A 109.5 . .
C51 C111 H11B 109.5 . .
H11A C111 H11B 109.5 . .
C51 C111 H11C 109.5 . .
H11A C111 H11C 109.5 . .
H11B C111 H11C 109.5 . .
C62 C12 C22 119.69(14) . .
C62 C12 N11 120.09(14) . .
C22 C12 N11 120.12(14) . .
C62 C12 K1 73.85(8) . .
C22 C12 K1 79.06(9) . .
N11 C12 K1 114.60(9) . .
C32 C22 C12 119.02(16) . .
C32 C22 C72 119.60(16) . .
C12 C22 C72 121.38(14) . .
C32 C22 K1 76.96(10) . .
C12 C22 K1 75.05(9) . .
C72 C22 K1 118.90(11) . .
C42 C32 C22 121.54(17) . .
C42 C32 K1 75.85(10) . .
C22 C32 K1 77.62(10) . .
C42 C32 H32A 119.2 . .
C22 C32 H32A 119.2 . .
K1 C32 H32A 118.0 . .
C52 C42 C32 119.31(15) . .
C52 C42 K1 74.10(9) . .
C32 C42 K1 78.71(10) . .
C52 C42 H42A 120.3 . .
C32 C42 H42A 120.3 . .
K1 C42 H42A 117.7 . .
C42 C52 C62 121.42(16) . .
C42 C52 K1 80.20(10) . .
C62 C52 K1 76.47(9) . .
C42 C52 H52A 119.3 . .
C62 C52 H52A 119.3 . .
K1 C52 H52A 114.4 . .
C52 C62 C12 118.99(15) . .
C52 C62 C102 119.42(15) . .
C12 C62 C102 121.56(13) . .
C52 C62 K1 76.96(9) . .
C12 C62 K1 79.74(9) . .
C102 C62 K1 111.76(9) . .
C92 C72 C22 111.15(15) . .
C92 C72 C82 109.31(16) . .
C22 C72 C82 112.03(16) . .
C92 C72 H72A 108.1 . .
C22 C72 H72A 108.1 . .
C82 C72 H72A 108.1 . .
C72 C82 H82A 109.5 . .
C72 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C72 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C72 C92 H92A 109.5 . .
C72 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C72 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C62 C102 C112 112.83(14) . .
C62 C102 C122 109.99(13) . .
C112 C102 C122 110.43(15) . .
C62 C102 H10D 107.8 . .
C112 C102 H10D 107.8 . .
C122 C102 H10D 107.8 . .
C102 C112 H11D 109.5 . .
C102 C112 H11E 109.5 . .
H11D C112 H11E 109.5 . .
C102 C112 H11F 109.5 . .
H11D C112 H11F 109.5 . .
H11E C112 H11F 109.5 . .
C102 C122 H12A 109.5 . .
C102 C122 H12B 109.5 . .
H12A C122 H12B 109.5 . .
C102 C122 H12C 109.5 . .
H12A C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C23 C13 N21 119.60(13) . .
C23 C13 C63 120.04(13) . .
N21 C13 C63 120.29(13) . .
C23 C13 K2 80.93(9) . .
N21 C13 K2 113.80(9) . .
C63 C13 K2 73.34(8) . .
C33 C23 C13 119.08(14) . .
C33 C23 C73 119.16(14) . .
C13 C23 C73 121.76(13) . .
C33 C23 K2 78.83(9) . .
C13 C23 K2 73.04(9) . .
C73 C23 K2 118.97(9) . .
C43 C33 C23 121.26(15) . .
C43 C33 K2 75.60(10) . .
C23 C33 K2 75.89(9) . .
C43 C33 H33A 119.4 . .
C23 C33 H33A 119.4 . .
K2 C33 H33A 120.1 . .
C33 C43 C53 119.54(15) . .
C33 C43 K2 79.34(10) . .
C53 C43 K2 72.22(9) . .
C33 C43 H43A 120.2 . .
C53 C43 H43A 120.2 . .
K2 C43 H43A 119.1 . .
C43 C53 C63 121.77(15) . .
C43 C53 K2 82.09(10) . .
C63 C53 K2 74.74(9) . .
C43 C53 H53A 119.1 . .
C63 C53 H53A 119.1 . .
K2 C53 H53A 114.3 . .
C53 C63 C13 118.29(14) . .
C53 C63 C103 121.04(14) . .
C13 C63 C103 120.67(13) . .
C53 C63 K2 78.53(9) . .
C13 C63 K2 79.57(8) . .
C103 C63 K2 111.19(10) . .
C23 C73 C83 112.25(13) . .
C23 C73 C93 110.33(13) . .
C83 C73 C93 110.61(14) . .
C23 C73 H73A 107.8 . .
C83 C73 H73A 107.8 . .
C93 C73 H73A 107.8 . .
C73 C83 H83A 109.5 . .
C73 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C73 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C73 C93 H93A 109.5 . .
C73 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C73 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C63 C103 C113 113.37(14) . .
C63 C103 C123 110.74(13) . .
C113 C103 C123 109.89(14) . .
C63 C103 H10E 107.5 . .
C113 C103 H10E 107.5 . .
C123 C103 H10E 107.5 . .
C103 C113 H11G 109.5 . .
C103 C113 H11H 109.5 . .
H11G C113 H11H 109.5 . .
C103 C113 H11I 109.5 . .
H11G C113 H11I 109.5 . .
H11H C113 H11I 109.5 . .
C103 C123 H12D 109.5 . .
C103 C123 H12E 109.5 . .
H12D C123 H12E 109.5 . .
C103 C123 H12F 109.5 . .
H12D C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 1.7496(13) .
Co1 N11 1.9267(12) .
Co1 N21 1.9331(12) .
Co1 K2 3.5243(6) .
Co1 K1 3.5521(6) .
K1 N1 2.7073(14) 2_655
K1 N1 2.7073(14) .
K1 C62 3.0516(15) .
K1 C62 3.0516(15) 2_655
K1 C52 3.0577(16) .
K1 C52 3.0577(16) 2_655
K1 C12 3.1261(15) .
K1 C12 3.1261(15) 2_655
K1 C42 3.1329(17) .
K1 C42 3.1329(17) 2_655
K1 C32 3.1685(18) .
K1 C32 3.1685(18) 2_655
K1 C22 3.1768(16) .
K1 C22 3.1768(16) 2_655
K1 C122 3.474(2) 2_655
K1 Co1 3.5521(6) 2_655
K2 N1 2.7055(14) .
K2 N1 2.7055(14) 2_655
K2 C63 2.9974(16) .
K2 C63 2.9974(16) 2_655
K2 C53 3.0450(16) .
K2 C53 3.0450(16) 2_655
K2 C13 3.0771(15) .
K2 C13 3.0771(15) 2_655
K2 C43 3.1673(17) 2_655
K2 C43 3.1673(17) .
K2 C23 3.1769(16) .
K2 C23 3.1769(16) 2_655
K2 C33 3.2137(17) 2_655
K2 C33 3.2137(17) .
K2 C123 3.438(2) 2_655
K2 Co1 3.5243(6) 2_655
N1 N1 1.220(2) 2_655
N11 C21 1.3494(19) .
N11 C12 1.4240(19) .
N21 C41 1.3449(18) .
N21 C13 1.4233(18) .
C11 C81 1.537(3) .
C11 C61 1.542(2) .
C11 C71 1.545(2) .
C11 C21 1.565(2) .
C21 C31 1.401(2) .
C31 C41 1.404(2) .
C31 H31A 0.9500 .
C41 C51 1.570(2) .
C51 C91 1.540(2) .
C51 C101 1.542(2) .
C51 C111 1.545(2) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C111 H11A 0.9800 .
C111 H11B 0.9800 .
C111 H11C 0.9800 .
C12 C62 1.413(2) .
C12 C22 1.413(2) .
C22 C32 1.396(2) .
C22 C72 1.518(2) .
C32 C42 1.388(3) .
C32 H32A 0.9500 .
C42 C52 1.379(3) .
C42 H42A 0.9500 .
C52 C62 1.404(2) .
C52 H52A 0.9500 .
C62 C102 1.521(2) .
C72 C92 1.508(3) .
C72 C82 1.545(3) .
C72 H72A 1.0000 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C102 C112 1.530(2) .
C102 C122 1.534(2) .
C102 H10D 1.0000 .
C112 H11D 0.9800 .
C112 H11E 0.9800 .
C112 H11F 0.9800 .
C122 H12A 0.9800 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C13 C23 1.412(2) .
C13 C63 1.425(2) .
C23 C33 1.399(2) .
C23 C73 1.527(2) .
C33 C43 1.385(2) .
C33 H33A 0.9500 .
C43 C53 1.386(2) .
C43 H43A 0.9500 .
C53 C63 1.398(2) .
C53 H53A 0.9500 .
C63 C103 1.521(2) .
C73 C83 1.528(2) .
C73 C93 1.528(2) .
C73 H73A 1.0000 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C103 C113 1.532(2) .
C103 C123 1.533(2) .
C103 H10E 1.0000 .
C113 H11G 0.9800 .
C113 H11H 0.9800 .
C113 H11I 0.9800 .
C123 H12D 0.9800 .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Co1 K1 N1 0.64(9) . 2_655
N11 Co1 K1 N1 -166.32(5) . 2_655
N21 Co1 K1 N1 97.16(18) . 2_655
K2 Co1 K1 N1 0.24(3) . 2_655
N11 Co1 K1 N1 -166.96(7) . .
N21 Co1 K1 N1 96.52(18) . .
K2 Co1 K1 N1 -0.41(6) . .
N1 Co1 K1 C62 -171.79(7) . .
N11 Co1 K1 C62 21.25(5) . .
N21 Co1 K1 C62 -75.27(18) . .
K2 Co1 K1 C62 -172.20(4) . .
N1 Co1 K1 C62 13.59(8) . 2_655
N11 Co1 K1 C62 -153.37(7) . 2_655
N21 Co1 K1 C62 110.10(18) . 2_655
K2 Co1 K1 C62 13.18(6) . 2_655
N1 Co1 K1 C52 -177.18(7) . .
N11 Co1 K1 C52 15.86(5) . .
N21 Co1 K1 C52 -80.67(18) . .
K2 Co1 K1 C52 -177.59(3) . .
N1 Co1 K1 C52 23.4(3) . 2_655
N11 Co1 K1 C52 -143.6(3) . 2_655
N21 Co1 K1 C52 119.9(4) . 2_655
K2 Co1 K1 C52 22.9(3) . 2_655
N1 Co1 K1 C12 163.45(7) . .
N11 Co1 K1 C12 -3.51(6) . .
N21 Co1 K1 C12 -100.03(18) . .
K2 Co1 K1 C12 163.05(4) . .
N1 Co1 K1 C12 -15.89(7) . 2_655
N11 Co1 K1 C12 177.15(6) . 2_655
N21 Co1 K1 C12 80.62(18) . 2_655
K2 Co1 K1 C12 -16.30(4) . 2_655
N1 Co1 K1 C42 159.15(7) . .
N11 Co1 K1 C42 -7.81(5) . .
N21 Co1 K1 C42 -104.33(18) . .
K2 Co1 K1 C42 158.74(4) . .
N1 Co1 K1 C42 -103.81(11) . 2_655
N11 Co1 K1 C42 89.23(10) . 2_655
N21 Co1 K1 C42 -7.3(2) . 2_655
K2 Co1 K1 C42 -104.21(9) . 2_655
N1 Co1 K1 C32 137.91(7) . .
N11 Co1 K1 C32 -29.05(5) . .
N21 Co1 K1 C32 -125.57(18) . .
K2 Co1 K1 C32 137.50(4) . .
N1 Co1 K1 C32 -78.40(8) . 2_655
N11 Co1 K1 C32 114.64(6) . 2_655
N21 Co1 K1 C32 18.11(18) . 2_655
K2 Co1 K1 C32 -78.81(5) . 2_655
N1 Co1 K1 C22 136.37(7) . .
N11 Co1 K1 C22 -30.59(5) . .
N21 Co1 K1 C22 -127.12(18) . .
K2 Co1 K1 C22 135.96(4) . .
N1 Co1 K1 C22 -48.12(7) . 2_655
N11 Co1 K1 C22 144.92(5) . 2_655
N21 Co1 K1 C22 48.39(18) . 2_655
K2 Co1 K1 C22 -48.53(4) . 2_655
N1 Co1 K1 C122 58.15(7) . 2_655
N11 Co1 K1 C122 -108.81(6) . 2_655
N21 Co1 K1 C122 154.67(18) . 2_655
K2 Co1 K1 C122 57.74(4) . 2_655
N1 Co1 K1 Co1 0.41(6) . 2_655
N11 Co1 K1 Co1 -166.55(4) . 2_655
N21 Co1 K1 Co1 96.92(17) . 2_655
K2 Co1 K1 Co1 0.0 . 2_655
N11 Co1 K2 N1 102.04(17) . .
N21 Co1 K2 N1 -167.39(7) . .
K1 Co1 K2 N1 0.40(6) . .
N1 Co1 K2 N1 -0.64(9) . 2_655
N11 Co1 K2 N1 101.40(16) . 2_655
N21 Co1 K2 N1 -168.03(5) . 2_655
K1 Co1 K2 N1 -0.24(3) . 2_655
N1 Co1 K2 C63 -175.01(7) . .
N11 Co1 K2 C63 -72.97(16) . .
N21 Co1 K2 C63 17.60(5) . .
K1 Co1 K2 C63 -174.61(3) . .
N1 Co1 K2 C63 9.89(9) . 2_655
N11 Co1 K2 C63 111.93(17) . 2_655
N21 Co1 K2 C63 -157.50(7) . 2_655
K1 Co1 K2 C63 10.30(6) . 2_655
N1 Co1 K2 C53 177.76(7) . .
N11 Co1 K2 C53 -80.20(16) . .
N21 Co1 K2 C53 10.37(5) . .
K1 Co1 K2 C53 178.16(3) . .
N1 Co1 K2 C53 -34.0(6) . 2_655
N11 Co1 K2 C53 68.1(6) . 2_655
N21 Co1 K2 C53 158.6(6) . 2_655
K1 Co1 K2 C53 -33.6(6) . 2_655
N1 Co1 K2 C13 161.28(7) . .
N11 Co1 K2 C13 -96.68(16) . .
N21 Co1 K2 C13 -6.11(5) . .
K1 Co1 K2 C13 161.68(4) . .
N1 Co1 K2 C13 -18.51(7) . 2_655
N11 Co1 K2 C13 83.53(16) . 2_655
N21 Co1 K2 C13 174.10(5) . 2_655
K1 Co1 K2 C13 -18.10(4) . 2_655
N1 Co1 K2 C43 -105.13(9) . 2_655
N11 Co1 K2 C43 -3.09(18) . 2_655
N21 Co1 K2 C43 87.48(8) . 2_655
K1 Co1 K2 C43 -104.73(7) . 2_655
N1 Co1 K2 C43 153.35(7) . .
N11 Co1 K2 C43 -104.61(16) . .
N21 Co1 K2 C43 -14.05(5) . .
K1 Co1 K2 C43 153.75(3) . .
N1 Co1 K2 C23 133.14(7) . .
N11 Co1 K2 C23 -124.82(16) . .
N21 Co1 K2 C23 -34.25(5) . .
K1 Co1 K2 C23 133.54(3) . .
N1 Co1 K2 C23 -50.13(7) . 2_655
N11 Co1 K2 C23 51.91(16) . 2_655
N21 Co1 K2 C23 142.47(5) . 2_655
K1 Co1 K2 C23 -49.73(3) . 2_655
N1 Co1 K2 C33 -80.23(7) . 2_655
N11 Co1 K2 C33 21.81(17) . 2_655
N21 Co1 K2 C33 112.38(6) . 2_655
K1 Co1 K2 C33 -79.82(4) . 2_655
N1 Co1 K2 C33 133.33(7) . .
N11 Co1 K2 C33 -124.63(16) . .
N21 Co1 K2 C33 -34.07(5) . .
K1 Co1 K2 C33 133.73(3) . .
N1 Co1 K2 C123 54.65(7) . 2_655
N11 Co1 K2 C123 156.69(16) . 2_655
N21 Co1 K2 C123 -112.75(5) . 2_655
K1 Co1 K2 C123 55.05(4) . 2_655
N1 Co1 K2 Co1 -0.40(6) . 2_655
N11 Co1 K2 Co1 101.64(16) . 2_655
N21 Co1 K2 Co1 -167.79(4) . 2_655
K1 Co1 K2 Co1 0.0 . 2_655
N11 Co1 N1 N1 -98(4) . 2_655
N21 Co1 N1 N1 80(4) . 2_655
K2 Co1 N1 N1 63(4) . 2_655
K1 Co1 N1 N1 -116(4) . 2_655
N11 Co1 N1 K2 -161.57(6) . .
N21 Co1 N1 K2 17.13(9) . .
K1 Co1 N1 K2 -179.46(8) . .
N11 Co1 N1 K1 17.89(10) . .
N21 Co1 N1 K1 -163.41(5) . .
K2 Co1 N1 K1 179.46(8) . .
C63 K2 N1 N1 -174.17(12) . 2_655
C63 K2 N1 N1 6.85(14) 2_655 2_655
C53 K2 N1 N1 178.55(11) . 2_655
C53 K2 N1 N1 -2.33(18) 2_655 2_655
C13 K2 N1 N1 166.78(13) . 2_655
C13 K2 N1 N1 -13.18(13) 2_655 2_655
C43 K2 N1 N1 -51.32(16) 2_655 2_655
C43 K2 N1 N1 147.77(11) . 2_655
C23 K2 N1 N1 140.96(13) . 2_655
C23 K2 N1 N1 -39.86(13) 2_655 2_655
C33 K2 N1 N1 -57.54(14) 2_655 2_655
C33 K2 N1 N1 132.01(12) . 2_655
C123 K2 N1 N1 48.51(13) 2_655 2_655
Co1 K2 N1 N1 -178.81(17) . 2_655
Co1 K2 N1 N1 0.70(10) 2_655 2_655
N1 K2 N1 Co1 178.81(17) 2_655 .
C63 K2 N1 Co1 4.63(6) . .
C63 K2 N1 Co1 -174.34(5) 2_655 .
C53 K2 N1 Co1 -2.64(8) . .
C53 K2 N1 Co1 176.48(6) 2_655 .
C13 K2 N1 Co1 -14.41(5) . .
C13 K2 N1 Co1 165.63(5) 2_655 .
C43 K2 N1 Co1 127.49(7) 2_655 .
C43 K2 N1 Co1 -33.42(8) . .
C23 K2 N1 Co1 -40.23(6) . .
C23 K2 N1 Co1 138.95(6) 2_655 .
C33 K2 N1 Co1 121.27(6) 2_655 .
C33 K2 N1 Co1 -49.18(7) . .
C123 K2 N1 Co1 -132.68(6) 2_655 .
Co1 K2 N1 Co1 179.51(7) 2_655 .
N1 K2 N1 K1 0.0 2_655 .
C63 K2 N1 K1 -174.17(12) . .
C63 K2 N1 K1 6.85(14) 2_655 .
C53 K2 N1 K1 178.55(11) . .
C53 K2 N1 K1 -2.33(18) 2_655 .
C13 K2 N1 K1 166.78(13) . .
C13 K2 N1 K1 -13.18(13) 2_655 .
C43 K2 N1 K1 -51.32(16) 2_655 .
C43 K2 N1 K1 147.77(11) . .
C23 K2 N1 K1 140.96(13) . .
C23 K2 N1 K1 -39.86(13) 2_655 .
C33 K2 N1 K1 -57.54(14) 2_655 .
C33 K2 N1 K1 132.01(12) . .
C123 K2 N1 K1 48.51(13) 2_655 .
Co1 K2 N1 K1 -178.81(17) . .
Co1 K2 N1 K1 0.70(10) 2_655 .
C62 K1 N1 N1 -173.75(12) . 2_655
C62 K1 N1 N1 7.16(14) 2_655 2_655
C52 K1 N1 N1 -177.95(11) . 2_655
C52 K1 N1 N1 3.15(17) 2_655 2_655
C12 K1 N1 N1 166.15(13) . 2_655
C12 K1 N1 N1 -13.71(13) 2_655 2_655
C42 K1 N1 N1 152.60(11) . 2_655
C42 K1 N1 N1 -45.19(17) 2_655 2_655
C32 K1 N1 N1 133.97(12) . 2_655
C32 K1 N1 N1 -56.36(14) 2_655 2_655
C22 K1 N1 N1 141.04(13) . 2_655
C22 K1 N1 N1 -40.12(13) 2_655 2_655
C122 K1 N1 N1 49.50(13) 2_655 2_655
Co1 K1 N1 N1 -0.70(10) 2_655 2_655
Co1 K1 N1 N1 178.80(17) . 2_655
N1 K1 N1 Co1 -178.80(17) 2_655 .
C62 K1 N1 Co1 7.45(6) . .
C62 K1 N1 Co1 -171.65(5) 2_655 .
C52 K1 N1 Co1 3.24(8) . .
C52 K1 N1 Co1 -175.65(6) 2_655 .
C12 K1 N1 Co1 -12.66(5) . .
C12 K1 N1 Co1 167.49(6) 2_655 .
C42 K1 N1 Co1 -26.20(9) . .
C42 K1 N1 Co1 136.01(7) 2_655 .
C32 K1 N1 Co1 -44.84(7) . .
C32 K1 N1 Co1 124.83(6) 2_655 .
C22 K1 N1 Co1 -37.76(6) . .
C22 K1 N1 Co1 141.08(6) 2_655 .
C122 K1 N1 Co1 -129.30(6) 2_655 .
Co1 K1 N1 Co1 -179.51(7) 2_655 .
N1 K1 N1 K2 0.0 2_655 .
C62 K1 N1 K2 -173.75(12) . .
C62 K1 N1 K2 7.16(14) 2_655 .
C52 K1 N1 K2 -177.95(11) . .
C52 K1 N1 K2 3.15(17) 2_655 .
C12 K1 N1 K2 166.15(13) . .
C12 K1 N1 K2 -13.71(13) 2_655 .
C42 K1 N1 K2 152.60(11) . .
C42 K1 N1 K2 -45.19(17) 2_655 .
C32 K1 N1 K2 133.97(12) . .
C32 K1 N1 K2 -56.36(14) 2_655 .
C22 K1 N1 K2 141.04(13) . .
C22 K1 N1 K2 -40.12(13) 2_655 .
C122 K1 N1 K2 49.50(13) 2_655 .
Co1 K1 N1 K2 -0.70(10) 2_655 .
Co1 K1 N1 K2 178.80(17) . .
N1 Co1 N11 C21 176.80(12) . .
N21 Co1 N11 C21 -2.24(14) . .
K2 Co1 N11 C21 87.2(2) . .
K1 Co1 N11 C21 -170.02(13) . .
N1 Co1 N11 C12 -7.05(14) . .
N21 Co1 N11 C12 173.91(11) . .
K2 Co1 N11 C12 -96.67(18) . .
K1 Co1 N11 C12 6.13(10) . .
N1 Co1 N21 C41 178.95(12) . .
N11 Co1 N21 C41 -2.01(13) . .
K2 Co1 N21 C41 -168.25(12) . .
K1 Co1 N21 C41 93.6(2) . .
N1 Co1 N21 C13 -2.11(14) . .
N11 Co1 N21 C13 176.94(10) . .
K2 Co1 N21 C13 10.69(9) . .
K1 Co1 N21 C13 -87.4(2) . .
C12 N11 C21 C31 -171.60(15) . .
Co1 N11 C21 C31 4.1(2) . .
C12 N11 C21 C11 9.9(2) . .
Co1 N11 C21 C11 -174.44(12) . .
C81 C11 C21 N11 -121.08(18) . .
C61 C11 C21 N11 119.63(18) . .
C71 C11 C21 N11 -0.4(3) . .
C81 C11 C21 C31 60.32(18) . .
C61 C11 C21 C31 -58.97(19) . .
C71 C11 C21 C31 -179.00(16) . .
N11 C21 C31 C41 -1.8(3) . .
C11 C21 C31 C41 176.89(16) . .
C13 N21 C41 C31 -174.60(14) . .
Co1 N21 C41 C31 4.2(2) . .
C13 N21 C41 C51 7.0(2) . .
Co1 N21 C41 C51 -174.13(11) . .
C21 C31 C41 N21 -2.5(3) . .
C21 C31 C41 C51 176.03(16) . .
N21 C41 C51 C91 -2.0(2) . .
C31 C41 C51 C91 179.56(14) . .
N21 C41 C51 C101 118.21(16) . .
C31 C41 C51 C101 -60.25(17) . .
N21 C41 C51 C111 -123.34(16) . .
C31 C41 C51 C111 58.21(17) . .
C21 N11 C12 C62 83.71(19) . .
Co1 N11 C12 C62 -92.59(14) . .
C21 N11 C12 C22 -99.95(18) . .
Co1 N11 C12 C22 83.74(15) . .
C21 N11 C12 K1 168.66(11) . .
Co1 N11 C12 K1 -7.65(12) . .
N1 K1 C12 C62 135.64(9) 2_655 .
N1 K1 C12 C62 129.49(10) . .
C62 K1 C12 C62 -99.00(16) 2_655 .
C52 K1 C12 C62 -31.24(9) . .
C52 K1 C12 C62 -64.34(11) 2_655 .
C12 K1 C12 C62 132.58(9) 2_655 .
C42 K1 C12 C62 -63.85(9) . .
C42 K1 C12 C62 -30.40(11) 2_655 .
C32 K1 C12 C62 -95.95(10) . .
C32 K1 C12 C62 3.14(12) 2_655 .
C22 K1 C12 C62 -125.54(14) . .
C22 K1 C12 C62 36.06(14) 2_655 .
C122 K1 C12 C62 -137.65(9) 2_655 .
Co1 K1 C12 C62 143.33(8) 2_655 .
Co1 K1 C12 C62 121.41(10) . .
N1 K1 C12 C22 -98.82(9) 2_655 .
N1 K1 C12 C22 -104.98(10) . .
C62 K1 C12 C22 125.54(14) . .
C62 K1 C12 C22 26.54(15) 2_655 .
C52 K1 C12 C22 94.29(10) . .
C52 K1 C12 C22 61.19(12) 2_655 .
C12 K1 C12 C22 -101.88(9) 2_655 .
C42 K1 C12 C22 61.68(10) . .
C42 K1 C12 C22 95.13(10) 2_655 .
C32 K1 C12 C22 29.59(9) . .
C32 K1 C12 C22 128.68(10) 2_655 .
C22 K1 C12 C22 161.60(14) 2_655 .
C122 K1 C12 C22 -12.12(11) 2_655 .
Co1 K1 C12 C22 -91.14(9) 2_655 .
Co1 K1 C12 C22 -113.05(10) . .
N1 K1 C12 N11 19.44(11) 2_655 .
N1 K1 C12 N11 13.29(10) . .
C62 K1 C12 N11 -116.20(15) . .
C62 K1 C12 N11 144.80(11) 2_655 .
C52 K1 C12 N11 -147.44(14) . .
C52 K1 C12 N11 179.46(9) 2_655 .
C12 K1 C12 N11 16.38(11) 2_655 .
C42 K1 C12 N11 179.95(13) . .
C42 K1 C12 N11 -146.60(10) 2_655 .
C32 K1 C12 N11 147.85(14) . .
C32 K1 C12 N11 -113.06(11) 2_655 .
C22 K1 C12 N11 118.26(16) . .
C22 K1 C12 N11 -80.14(15) 2_655 .
C122 K1 C12 N11 106.15(11) 2_655 .
Co1 K1 C12 N11 27.13(13) 2_655 .
Co1 K1 C12 N11 5.21(8) . .
C62 C12 C22 C32 -1.3(2) . .
N11 C12 C22 C32 -177.68(14) . .
K1 C12 C22 C32 -65.46(14) . .
C62 C12 C22 C72 179.16(14) . .
N11 C12 C22 C72 2.8(2) . .
K1 C12 C22 C72 115.03(15) . .
C62 C12 C22 K1 64.13(13) . .
N11 C12 C22 K1 -112.22(13) . .
N1 K1 C22 C32 -147.66(11) 2_655 .
N1 K1 C22 C32 -164.18(11) . .
C62 K1 C22 C32 95.14(12) . .
C62 K1 C22 C32 -40.45(13) 2_655 .
C52 K1 C22 C32 61.25(11) . .
C52 K1 C22 C32 -10.20(12) 2_655 .
C12 K1 C22 C32 125.26(16) . .
C12 K1 C22 C32 -60.69(16) 2_655 .
C42 K1 C22 C32 28.69(10) . .
C42 K1 C22 C32 19.80(13) 2_655 .
C32 K1 C22 C32 42.74(18) 2_655 .
C22 K1 C22 C32 23.98(11) 2_655 .
C122 K1 C22 C32 -65.45(11) 2_655 .
Co1 K1 C22 C32 -126.10(10) 2_655 .
Co1 K1 C22 C32 176.41(12) . .
N1 K1 C22 C12 87.08(9) 2_655 .
N1 K1 C22 C12 70.56(9) . .
C62 K1 C22 C12 -30.12(8) . .
C62 K1 C22 C12 -165.71(8) 2_655 .
C52 K1 C22 C12 -64.01(9) . .
C52 K1 C22 C12 -135.46(9) 2_655 .
C12 K1 C22 C12 174.05(13) 2_655 .
C42 K1 C22 C12 -96.57(11) . .
C42 K1 C22 C12 -105.46(10) 2_655 .
C32 K1 C22 C12 -125.26(16) . .
C32 K1 C22 C12 -82.52(12) 2_655 .
C22 K1 C22 C12 -101.28(9) 2_655 .
C122 K1 C22 C12 169.29(9) 2_655 .
Co1 K1 C22 C12 108.64(9) 2_655 .
Co1 K1 C22 C12 51.15(8) . .
N1 K1 C22 C72 -30.83(12) 2_655 .
N1 K1 C22 C72 -47.36(12) . .
C62 K1 C22 C72 -148.04(14) . .
C62 K1 C22 C72 76.38(13) 2_655 .
C52 K1 C22 C72 178.07(14) . .
C52 K1 C22 C72 106.62(12) 2_655 .
C12 K1 C22 C72 -117.92(16) . .
C12 K1 C22 C72 56.13(17) 2_655 .
C42 K1 C22 C72 145.51(14) . .
C42 K1 C22 C72 136.62(11) 2_655 .
C32 K1 C22 C72 116.82(17) . .
C32 K1 C22 C72 159.56(11) 2_655 .
C22 K1 C22 C72 140.80(12) 2_655 .
C122 K1 C22 C72 51.38(12) 2_655 .
Co1 K1 C22 C72 -9.27(13) 2_655 .
Co1 K1 C22 C72 -66.77(11) . .
C12 C22 C32 C42 -0.2(3) . .
C72 C22 C32 C42 179.33(16) . .
K1 C22 C32 C42 -64.64(16) . .
C12 C22 C32 K1 64.45(13) . .
C72 C22 C32 K1 -116.04(15) . .
N1 K1 C32 C42 166.63(9) 2_655 .
N1 K1 C32 C42 144.00(10) . .
C62 K1 C32 C42 63.77(10) . .
C62 K1 C32 C42 -84.08(11) 2_655 .
C52 K1 C32 C42 30.06(9) . .
C52 K1 C32 C42 -61.41(11) 2_655 .
C12 K1 C32 C42 97.27(12) . .
C12 K1 C32 C42 -85.57(12) 2_655 .
C42 K1 C32 C42 -36.44(13) 2_655 .
C32 K1 C32 C42 -25.51(9) 2_655 .
C22 K1 C32 C42 127.42(17) . .
C22 K1 C32 C42 -46.62(15) 2_655 .
C122 K1 C32 C42 -119.16(11) 2_655 .
Co1 K1 C32 C42 -158.53(8) 2_655 .
Co1 K1 C32 C42 124.25(10) . .
N1 K1 C32 C22 39.21(12) 2_655 .
N1 K1 C32 C22 16.58(12) . .
C62 K1 C32 C22 -63.65(11) . .
C62 K1 C32 C22 148.49(10) 2_655 .
C52 K1 C32 C22 -97.36(12) . .
C52 K1 C32 C22 171.17(11) 2_655 .
C12 K1 C32 C22 -30.15(10) . .
C12 K1 C32 C22 147.01(10) 2_655 .
C42 K1 C32 C22 -127.42(17) . .
C42 K1 C32 C22 -163.86(11) 2_655 .
C32 K1 C32 C22 -152.94(12) 2_655 .
C22 K1 C32 C22 -174.04(5) 2_655 .
C122 K1 C32 C22 113.41(11) 2_655 .
Co1 K1 C32 C22 74.05(12) 2_655 .
Co1 K1 C32 C22 -3.17(10) . .
C22 C32 C42 C52 1.2(3) . .
K1 C32 C42 C52 -64.38(15) . .
C22 C32 C42 K1 65.54(15) . .
N1 K1 C42 C52 103.42(12) 2_655 .
N1 K1 C42 C52 80.21(11) . .
C62 K1 C42 C52 30.16(9) . .
C62 K1 C42 C52 -130.72(10) 2_655 .
C52 K1 C42 C52 -116.60(10) 2_655 .
C12 K1 C42 C52 63.74(10) . .
C12 K1 C42 C52 -117.21(10) 2_655 .
C42 K1 C42 C52 -90.69(11) 2_655 .
C32 K1 C42 C52 125.16(15) . .
C32 K1 C42 C52 -75.76(11) 2_655 .
C22 K1 C42 C52 96.49(11) . .
C22 K1 C42 C52 -84.32(11) 2_655 .
C122 K1 C42 C52 -174.66(10) 2_655 .
Co1 K1 C42 C52 168.56(8) 2_655 .
Co1 K1 C42 C52 67.75(10) . .
N1 K1 C42 C32 -21.74(15) 2_655 .
N1 K1 C42 C32 -44.95(12) . .
C62 K1 C42 C32 -95.00(11) . .
C62 K1 C42 C32 104.12(10) 2_655 .
C52 K1 C42 C32 -125.16(15) . .
C52 K1 C42 C32 118.25(11) 2_655 .
C12 K1 C42 C32 -61.41(10) . .
C12 K1 C42 C32 117.63(10) 2_655 .
C42 K1 C42 C32 144.15(12) 2_655 .
C32 K1 C42 C32 159.09(8) 2_655 .
C22 K1 C42 C32 -28.67(10) . .
C22 K1 C42 C32 150.52(10) 2_655 .
C122 K1 C42 C32 60.18(11) 2_655 .
Co1 K1 C42 C32 43.40(15) 2_655 .
Co1 K1 C42 C32 -57.41(10) . .
C32 C42 C52 C62 -0.6(2) . .
K1 C42 C52 C62 -67.44(14) . .
C32 C42 C52 K1 66.84(15) . .
N1 K1 C52 C42 -118.02(11) 2_655 .
N1 K1 C52 C42 -116.43(10) . .
C62 K1 C52 C42 -125.85(16) . .
C62 K1 C52 C42 58.37(12) 2_655 .
C52 K1 C52 C42 62.95(9) 2_655 .
C12 K1 C52 C42 -94.81(12) . .
C12 K1 C52 C42 86.24(12) 2_655 .
C42 K1 C52 C42 85.85(12) 2_655 .
C32 K1 C52 C42 -29.75(10) . .
C32 K1 C52 C42 108.18(11) 2_655 .
C22 K1 C52 C42 -61.87(10) . .
C22 K1 C52 C42 112.56(11) 2_655 .
C122 K1 C52 C42 6.17(12) 2_655 .
Co1 K1 C52 C42 -137.7(3) 2_655 .
Co1 K1 C52 C42 -114.88(10) . .
N1 K1 C52 C62 7.83(15) 2_655 .
N1 K1 C52 C62 9.42(12) . .
C62 K1 C52 C62 -175.78(6) 2_655 .
C52 K1 C52 C62 -171.20(12) 2_655 .
C12 K1 C52 C62 31.04(9) . .
C12 K1 C52 C62 -147.91(9) 2_655 .
C42 K1 C52 C62 125.85(16) . .
C42 K1 C52 C62 -148.30(11) 2_655 .
C32 K1 C52 C62 96.10(12) . .
C32 K1 C52 C62 -125.97(11) 2_655 .
C22 K1 C52 C62 63.98(10) . .
C22 K1 C52 C62 -121.59(10) 2_655 .
C122 K1 C52 C62 132.02(10) 2_655 .
Co1 K1 C52 C62 -11.8(4) 2_655 .
Co1 K1 C52 C62 10.97(10) . .
C42 C52 C62 C12 -0.9(2) . .
K1 C52 C62 C12 -70.29(13) . .
C42 C52 C62 C102 177.22(15) . .
K1 C52 C62 C102 107.83(13) . .
C42 C52 C62 K1 69.38(15) . .
C22 C12 C62 C52 1.9(2) . .
N11 C12 C62 C52 178.21(13) . .
K1 C12 C62 C52 68.75(13) . .
C22 C12 C62 C102 -176.22(14) . .
N11 C12 C62 C102 0.1(2) . .
K1 C12 C62 C102 -109.33(14) . .
C22 C12 C62 K1 -66.89(13) . .
N11 C12 C62 K1 109.46(12) . .
N1 K1 C62 C52 -174.94(10) 2_655 .
N1 K1 C62 C52 -171.80(10) . .
C62 K1 C62 C52 6.73(10) 2_655 .
C52 K1 C62 C52 10.24(14) 2_655 .
C12 K1 C62 C52 -123.19(15) . .
C12 K1 C62 C52 61.41(15) 2_655 .
C42 K1 C62 C52 -29.15(10) . .
C42 K1 C62 C52 32.78(11) 2_655 .
C32 K1 C62 C52 -61.42(10) . .
C32 K1 C62 C52 59.11(11) 2_655 .
C22 K1 C62 C52 -93.66(11) . .
C22 K1 C62 C52 76.36(12) 2_655 .
C122 K1 C62 C52 -65.55(12) 2_655 .
Co1 K1 C62 C52 177.65(8) 2_655 .
Co1 K1 C62 C52 -167.88(11) . .
N1 K1 C62 C12 -51.75(10) 2_655 .
N1 K1 C62 C12 -48.61(9) . .
C62 K1 C62 C12 129.92(9) 2_655 .
C52 K1 C62 C12 123.19(15) . .
C52 K1 C62 C12 133.43(9) 2_655 .
C12 K1 C62 C12 -175.39(10) 2_655 .
C42 K1 C62 C12 94.04(11) . .
C42 K1 C62 C12 155.97(9) 2_655 .
C32 K1 C62 C12 61.77(9) . .
C32 K1 C62 C12 -177.70(9) 2_655 .
C22 K1 C62 C12 29.53(8) . .
C22 K1 C62 C12 -160.45(8) 2_655 .
C122 K1 C62 C12 57.64(11) 2_655 .
Co1 K1 C62 C12 -59.15(12) 2_655 .
Co1 K1 C62 C12 -44.68(8) . .
N1 K1 C62 C102 68.28(11) 2_655 .
N1 K1 C62 C102 71.42(10) . .
C62 K1 C62 C102 -110.04(10) 2_655 .
C52 K1 C62 C102 -116.77(16) . .
C52 K1 C62 C102 -106.54(10) 2_655 .
C12 K1 C62 C102 120.03(14) . .
C12 K1 C62 C102 -55.36(16) 2_655 .
C42 K1 C62 C102 -145.92(13) . .
C42 K1 C62 C102 -83.99(11) 2_655 .
C32 K1 C62 C102 -178.20(12) . .
C32 K1 C62 C102 -57.66(11) 2_655 .
C22 K1 C62 C102 149.56(12) . .
C22 K1 C62 C102 -40.41(12) 2_655 .
C122 K1 C62 C102 177.67(9) 2_655 .
Co1 K1 C62 C102 60.88(13) 2_655 .
Co1 K1 C62 C102 75.35(10) . .
C32 C22 C72 C92 70.6(2) . .
C12 C22 C72 C92 -109.91(19) . .
K1 C22 C72 C92 -20.39(19) . .
C32 C22 C72 C82 -52.0(2) . .
C12 C22 C72 C82 127.47(17) . .
K1 C22 C72 C82 -143.01(13) . .
C52 C62 C102 C112 42.6(2) . .
C12 C62 C102 C112 -139.33(15) . .
K1 C62 C102 C112 129.51(12) . .
C52 C62 C102 C122 -81.19(18) . .
C12 C62 C102 C122 96.88(17) . .
K1 C62 C102 C122 5.72(16) . .
C41 N21 C13 C23 -101.38(17) . .
Co1 N21 C13 C23 79.63(15) . .
C41 N21 C13 C63 81.65(19) . .
Co1 N21 C13 C63 -97.34(14) . .
C41 N21 C13 K2 165.61(11) . .
Co1 N21 C13 K2 -13.38(11) . .
N1 K2 C13 C23 -100.19(9) . .
N1 K2 C13 C23 -94.29(9) 2_655 .
C63 K2 C13 C23 125.24(13) . .
C63 K2 C13 C23 39.24(14) 2_655 .
C53 K2 C13 C23 93.56(10) . .
C53 K2 C13 C23 71.84(10) 2_655 .
C13 K2 C13 C23 -97.23(8) 2_655 .
C43 K2 C13 C23 104.82(9) 2_655 .
C43 K2 C13 C23 60.93(9) . .
C23 K2 C13 C23 167.12(13) 2_655 .
C33 K2 C13 C23 136.77(9) 2_655 .
C33 K2 C13 C23 29.39(8) . .
C123 K2 C13 C23 -7.84(10) 2_655 .
Co1 K2 C13 C23 -109.38(9) . .
Co1 K2 C13 C23 -85.23(9) 2_655 .
N1 K2 C13 N21 18.26(10) . .
N1 K2 C13 N21 24.16(11) 2_655 .
C63 K2 C13 N21 -116.32(14) . .
C63 K2 C13 N21 157.69(10) 2_655 .
C53 K2 C13 N21 -148.00(13) . .
C53 K2 C13 N21 -169.72(9) 2_655 .
C13 K2 C13 N21 21.22(10) 2_655 .
C43 K2 C13 N21 -136.73(10) 2_655 .
C43 K2 C13 N21 179.38(12) . .
C23 K2 C13 N21 118.45(14) . .
C23 K2 C13 N21 -74.43(14) 2_655 .
C33 K2 C13 N21 -104.78(11) 2_655 .
C33 K2 C13 N21 147.83(12) . .
C123 K2 C13 N21 110.61(10) 2_655 .
Co1 K2 C13 N21 9.07(8) . .
Co1 K2 C13 N21 33.22(11) 2_655 .
N1 K2 C13 C63 134.57(9) . .
N1 K2 C13 C63 140.48(9) 2_655 .
C63 K2 C13 C63 -85.99(16) 2_655 .
C53 K2 C13 C63 -31.68(9) . .
C53 K2 C13 C63 -53.40(11) 2_655 .
C13 K2 C13 C63 137.53(9) 2_655 .
C43 K2 C13 C63 -20.41(11) 2_655 .
C43 K2 C13 C63 -64.31(9) . .
C23 K2 C13 C63 -125.24(13) . .
C23 K2 C13 C63 41.89(14) 2_655 .
C33 K2 C13 C63 11.54(11) 2_655 .
C33 K2 C13 C63 -95.85(10) . .
C123 K2 C13 C63 -133.07(9) 2_655 .
Co1 K2 C13 C63 125.38(10) . .
Co1 K2 C13 C63 149.54(7) 2_655 .
N21 C13 C23 C33 -178.64(13) . .
C63 C13 C23 C33 -1.7(2) . .
K2 C13 C23 C33 -66.34(13) . .
N21 C13 C23 C73 1.7(2) . .
C63 C13 C23 C73 178.68(14) . .
K2 C13 C23 C73 114.00(13) . .
N21 C13 C23 K2 -112.30(13) . .
C63 C13 C23 K2 64.68(13) . .
N1 K2 C23 C33 -159.53(10) . .
N1 K2 C23 C33 -143.04(9) 2_655 .
C63 K2 C23 C33 94.63(10) . .
C63 K2 C23 C33 -32.81(11) 2_655 .
C53 K2 C23 C33 60.55(10) . .
C53 K2 C23 C33 -1.30(11) 2_655 .
C13 K2 C23 C33 125.32(14) . .
C13 K2 C23 C33 -56.45(14) 2_655 .
C43 K2 C23 C33 29.09(11) 2_655 .
C43 K2 C23 C33 28.15(9) . .
C23 K2 C23 C33 28.64(9) 2_655 .
C33 K2 C23 C33 52.55(16) 2_655 .
C123 K2 C23 C33 -61.52(10) 2_655 .
Co1 K2 C23 C33 179.57(10) . .
Co1 K2 C23 C33 -120.60(9) 2_655 .
N1 K2 C23 C13 75.15(9) . .
N1 K2 C23 C13 91.64(9) 2_655 .
C63 K2 C23 C13 -30.68(8) . .
C63 K2 C23 C13 -158.12(8) 2_655 .
C53 K2 C23 C13 -64.77(9) . .
C53 K2 C23 C13 -126.61(9) 2_655 .
C13 K2 C23 C13 178.23(13) 2_655 .
C43 K2 C23 C13 -96.23(9) 2_655 .
C43 K2 C23 C13 -97.17(10) . .
C23 K2 C23 C13 -96.68(8) 2_655 .
C33 K2 C23 C13 -72.77(12) 2_655 .
C33 K2 C23 C13 -125.32(14) . .
C123 K2 C23 C13 173.16(9) 2_655 .
Co1 K2 C23 C13 54.26(8) . .
Co1 K2 C23 C13 114.08(8) 2_655 .
N1 K2 C23 C73 -42.24(11) . .
N1 K2 C23 C73 -25.75(11) 2_655 .
C63 K2 C23 C73 -148.08(13) . .
C63 K2 C23 C73 84.48(12) 2_655 .
C53 K2 C23 C73 177.84(13) . .
C53 K2 C23 C73 115.99(11) 2_655 .
C13 K2 C23 C73 -117.39(15) . .
C13 K2 C23 C73 60.84(15) 2_655 .
C43 K2 C23 C73 146.38(10) 2_655 .
C43 K2 C23 C73 145.44(13) . .
C23 K2 C23 C73 145.93(11) 2_655 .
C33 K2 C23 C73 169.84(10) 2_655 .
C33 K2 C23 C73 117.29(16) . .
C123 K2 C23 C73 55.77(11) 2_655 .
Co1 K2 C23 C73 -63.14(10) . .
Co1 K2 C23 C73 -3.31(12) 2_655 .
C13 C23 C33 C43 0.2(2) . .
C73 C23 C33 C43 179.83(15) . .
K2 C23 C33 C43 -63.09(15) . .
C13 C23 C33 K2 63.25(13) . .
C73 C23 C33 K2 -117.08(13) . .
N1 K2 C33 C43 149.28(10) . .
N1 K2 C33 C43 171.99(9) 2_655 .
C63 K2 C33 C43 63.53(10) . .
C63 K2 C33 C43 -77.58(10) 2_655 .
C53 K2 C33 C43 29.82(9) . .
C53 K2 C33 C43 -53.02(10) 2_655 .
C13 K2 C33 C43 97.80(11) . .
C13 K2 C33 C43 -83.09(11) 2_655 .
C43 K2 C33 C43 -28.83(13) 2_655 .
C23 K2 C33 C43 128.09(15) . .
C23 K2 C33 C43 -46.56(14) 2_655 .
C33 K2 C33 C43 -20.10(9) 2_655 .
C123 K2 C33 C43 -114.44(10) 2_655 .
Co1 K2 C33 C43 127.72(10) . .
Co1 K2 C33 C43 -153.58(8) 2_655 .
N1 K2 C33 C23 21.19(10) . .
N1 K2 C33 C23 43.90(11) 2_655 .
C63 K2 C33 C23 -64.56(9) . .
C63 K2 C33 C23 154.33(9) 2_655 .
C53 K2 C33 C23 -98.27(11) . .
C53 K2 C33 C23 178.89(9) 2_655 .
C13 K2 C33 C23 -30.29(9) . .
C13 K2 C33 C23 148.82(9) 2_655 .
C43 K2 C33 C23 -156.92(9) 2_655 .
C43 K2 C33 C23 -128.09(15) . .
C23 K2 C33 C23 -174.65(5) 2_655 .
C33 K2 C33 C23 -148.19(10) 2_655 .
C123 K2 C33 C23 117.47(10) 2_655 .
Co1 K2 C33 C23 -0.37(9) . .
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C23 C33 C43 C53 0.9(3) . .
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N1 K2 C43 C33 -12.49(14) 2_655 .
C63 K2 C43 C33 -95.81(11) . .
C63 K2 C43 C33 109.03(10) 2_655 .
C53 K2 C43 C33 -125.95(15) . .
C53 K2 C43 C33 126.62(10) 2_655 .
C13 K2 C43 C33 -61.27(10) . .
C13 K2 C43 C33 118.36(10) 2_655 .
C43 K2 C43 C33 152.33(12) 2_655 .
C23 K2 C43 C33 -28.40(9) . .
C23 K2 C43 C33 151.67(9) 2_655 .
C33 K2 C43 C33 164.18(7) 2_655 .
C123 K2 C43 C33 64.29(10) 2_655 .
Co1 K2 C43 C33 -53.81(10) . .
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N1 K2 C43 C53 87.98(11) . .
N1 K2 C43 C53 113.47(11) 2_655 .
C63 K2 C43 C53 30.15(9) . .
C63 K2 C43 C53 -125.01(10) 2_655 .
C53 K2 C43 C53 -107.42(10) 2_655 .
C13 K2 C43 C53 64.68(10) . .
C13 K2 C43 C53 -115.68(10) 2_655 .
C43 K2 C43 C53 -81.71(10) 2_655 .
C23 K2 C43 C53 97.56(11) . .
C23 K2 C43 C53 -82.38(11) 2_655 .
C33 K2 C43 C53 -69.87(10) 2_655 .
C33 K2 C43 C53 125.95(15) . .
C123 K2 C43 C53 -169.75(10) 2_655 .
Co1 K2 C43 C53 72.15(10) . .
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C33 C43 C53 C63 -0.4(3) . .
K2 C43 C53 C63 -66.50(14) . .
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N1 K2 C53 C43 -108.62(11) 2_655 .
C63 K2 C53 C43 -126.08(15) . .
C63 K2 C53 C43 62.42(11) 2_655 .
C53 K2 C53 C43 70.64(9) 2_655 .
C13 K2 C53 C43 -93.96(11) . .
C13 K2 C53 C43 86.24(11) 2_655 .
C43 K2 C53 C43 95.07(11) 2_655 .
C23 K2 C53 C43 -60.86(10) . .
C23 K2 C53 C43 115.64(10) 2_655 .
C33 K2 C53 C43 115.08(10) 2_655 .
C33 K2 C53 C43 -29.07(9) . .
C123 K2 C53 C43 11.56(11) 2_655 .
Co1 K2 C53 C43 -111.11(10) . .
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N1 K2 C53 C63 16.25(11) . .
N1 K2 C53 C63 17.46(15) 2_655 .
C63 K2 C53 C63 -171.50(6) 2_655 .
C53 K2 C53 C63 -163.28(12) 2_655 .
C13 K2 C53 C63 32.12(9) . .
C13 K2 C53 C63 -147.68(9) 2_655 .
C43 K2 C53 C63 -138.85(10) 2_655 .
C43 K2 C53 C63 126.08(15) . .
C23 K2 C53 C63 65.22(10) . .
C23 K2 C53 C63 -118.28(9) 2_655 .
C33 K2 C53 C63 -118.84(10) 2_655 .
C33 K2 C53 C63 97.01(11) . .
C123 K2 C53 C63 137.64(9) 2_655 .
Co1 K2 C53 C63 14.97(10) . .
Co1 K2 C53 C63 48.4(6) 2_655 .
C43 C53 C63 C13 -1.1(2) . .
K2 C53 C63 C13 -71.41(12) . .
C43 C53 C63 C103 178.28(15) . .
K2 C53 C63 C103 107.96(14) . .
C43 C53 C63 K2 70.32(15) . .
C23 C13 C63 C53 2.1(2) . .
N21 C13 C63 C53 179.06(13) . .
K2 C13 C63 C53 70.82(13) . .
C23 C13 C63 C103 -177.27(14) . .
N21 C13 C63 C103 -0.3(2) . .
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C23 C13 C63 K2 -68.71(13) . .
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N1 K2 C63 C53 -166.21(10) . .
N1 K2 C63 C53 -169.23(9) 2_655 .
C63 K2 C63 C53 12.40(9) 2_655 .
C53 K2 C63 C53 18.53(13) 2_655 .
C13 K2 C63 C53 -121.94(14) . .
C13 K2 C63 C53 59.24(15) 2_655 .
C43 K2 C63 C53 41.63(10) 2_655 .
C43 K2 C63 C53 -28.95(9) . .
C23 K2 C63 C53 -92.48(11) . .
C23 K2 C63 C53 80.73(11) 2_655 .
C33 K2 C63 C53 66.61(10) 2_655 .
C33 K2 C63 C53 -60.54(10) . .
C123 K2 C63 C53 -57.70(12) 2_655 .
Co1 K2 C63 C53 -163.78(10) . .
Co1 K2 C63 C53 -174.88(7) 2_655 .
N1 K2 C63 C13 -44.27(9) . .
N1 K2 C63 C13 -47.29(10) 2_655 .
C63 K2 C63 C13 134.34(9) 2_655 .
C53 K2 C63 C13 121.94(14) . .
C53 K2 C63 C13 140.47(9) 2_655 .
C13 K2 C63 C13 -178.82(9) 2_655 .
C43 K2 C63 C13 163.56(9) 2_655 .
C43 K2 C63 C13 92.99(10) . .
C23 K2 C63 C13 29.46(8) . .
C23 K2 C63 C13 -157.34(8) 2_655 .
C33 K2 C63 C13 -171.46(8) 2_655 .
C33 K2 C63 C13 61.40(9) . .
C123 K2 C63 C13 64.24(11) 2_655 .
Co1 K2 C63 C13 -41.84(8) . .
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N1 K2 C63 C103 74.74(10) . .
N1 K2 C63 C103 71.72(11) 2_655 .
C63 K2 C63 C103 -106.65(10) 2_655 .
C53 K2 C63 C103 -119.05(15) . .
C53 K2 C63 C103 -100.52(10) 2_655 .
C13 K2 C63 C103 119.01(14) . .
C13 K2 C63 C103 -59.81(15) 2_655 .
C43 K2 C63 C103 -77.43(10) 2_655 .
C43 K2 C63 C103 -148.01(12) . .
C23 K2 C63 C103 148.47(12) . .
C23 K2 C63 C103 -38.33(12) 2_655 .
C33 K2 C63 C103 -52.45(11) 2_655 .
C33 K2 C63 C103 -179.59(12) . .
C123 K2 C63 C103 -176.75(9) 2_655 .
Co1 K2 C63 C103 77.17(9) . .
Co1 K2 C63 C103 66.07(12) 2_655 .
C33 C23 C73 C83 -60.4(2) . .
C13 C23 C73 C83 119.31(17) . .
K2 C23 C73 C83 -153.53(11) . .
C33 C23 C73 C93 63.51(19) . .
C13 C23 C73 C93 -116.83(16) . .
K2 C23 C73 C93 -29.67(16) . .
C53 C63 C103 C113 28.0(2) . .
C13 C63 C103 C113 -152.67(15) . .
K2 C63 C103 C113 117.08(13) . .
C53 C63 C103 C123 -96.08(18) . .
C13 C63 C103 C123 83.27(18) . .
K2 C63 C103 C123 -6.97(15) . .
