#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:46:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179393 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/90/4329063.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_4329063
loop_
_publ_author_name
'Jun-ichi Nishigaki'
'Tsuyoshi Matsumoto'
'Kazuyuki Tatsumi'
_publ_section_title
;
 Model Studies of Methyl CoM Reductase: Methane Formation via CH3-S Bond
 Cleavage of Ni(I) Tetraazacyclic Complexes Having Intramolecular Methyl
 Sulfide Pendants
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5173
_journal_page_last               5187
_journal_paper_doi               10.1021/ic300017k
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C19 H40 F3 N4 Ni O3 S3'
_chemical_formula_sum            'C19 H40 F3 N4 Ni O3 S3'
_chemical_formula_weight         584.43
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.247(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   29.540(9)
_cell_length_b                   9.348(3)
_cell_length_c                   20.501(6)
_cell_measurement_reflns_used    5266
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.10
_cell_volume                     5311(3)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20070
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.015
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_description       needle
_exptl_crystal_F_000             2472.00
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.940
_refine_diff_density_min         -1.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    undef
_refine_ls_number_parameters     505
_refine_ls_number_reflns         5977
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0899
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1692P)²+2.3082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3137
_reflns_number_gt                3489
_reflns_number_total             5977
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic300017k_si_002_01.cif
_cod_data_source_block           RSRS-[Ni(dmmtc)]OTf_Complex8
_cod_database_code               4329063
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
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
Ni1 Ni 0.34681(2) 0.00040(5) 0.17343(3) 0.0222(3) Uani 1.0 8 d
S1 S 0.49696(7) 0.21845(19) 0.13972(11) 0.0641(6) Uani 1.0 8 d
S2 S 0.49708(7) -0.2156(2) 0.35759(11) 0.0644(6) Uani 1.0 8 d
S3 S 0.17255(5) 0.01315(17) 0.08616(7) 0.0438(5) Uani 1.0 8 d
F1 F 0.08683(12) -0.0082(4) -0.00886(18) 0.0537(11) Uani 1.0 8 d
F2 F 0.08676(13) -0.0095(4) 0.0956(2) 0.0546(11) Uani 1.0 8 d
F3a F 0.11613(17) -0.1990(5) 0.0585(3) 0.0471(12) Uani 0.7000 8 d
F3b F 0.1155(4) 0.1958(14) 0.0580(6) 0.052(3) Uani 0.3000 8 d
O1 O 0.19399(16) -0.0123(5) 0.0371(3) 0.0523(13) Uani 1.0 8 d
O2 O 0.19397(16) -0.0137(5) 0.1569(3) 0.0545(13) Uani 1.0 8 d
O3a O 0.16187(19) 0.1762(6) 0.0807(3) 0.0321(12) Uani 0.7000 8 d
O3b O 0.1609(5) -0.1712(14) 0.0796(6) 0.035(3) Uani 0.3000 8 d
N1a N 0.3504(2) 0.1126(7) 0.0852(3) 0.0226(12) Uani 0.6500 8 d
N1b N 0.3496(5) 0.1173(16) 0.2640(8) 0.044(4) Uani 0.3500 8 d
N2a N 0.3318(2) 0.1819(6) 0.2213(3) 0.0222(13) Uani 0.6500 8 d
N2b N 0.3319(5) 0.1770(14) 0.1091(8) 0.040(4) Uani 0.3500 8 d
N3a N 0.3504(2) -0.1116(6) 0.2652(3) 0.0231(12) Uani 0.6500 8 d
N3b N 0.3506(6) -0.1126(17) 0.0855(8) 0.055(5) Uani 0.3500 8 d
N4a N 0.3323(2) -0.1815(6) 0.1115(3) 0.0200(12) Uani 0.6500 8 d
N4b N 0.3333(4) -0.1778(12) 0.2233(7) 0.032(3) Uani 0.3500 8 d
C1a C 0.3059(3) 0.2060(8) 0.0575(4) 0.0260(16) Uani 0.6500 8 d
C1b C 0.3064(6) 0.197(2) 0.2505(10) 0.038(4) Uani 0.3500 8 d
C2a C 0.3025(5) 0.3237(12) 0.1082(7) 0.035(3) Uani 0.6500 8 d
C2b C 0.2991(8) 0.326(3) 0.1931(13) 0.055(6) Uani 0.3500 8 d
C3a C 0.2921(3) 0.2664(9) 0.1718(5) 0.0287(18) Uani 0.6500 8 d
C3b C 0.2950(7) 0.281(3) 0.1235(10) 0.031(4) Uani 0.3500 8 d
C4a C 0.3135(3) 0.1189(9) 0.2750(4) 0.0277(17) Uani 0.6500 8 d
C4b C 0.3117(7) 0.126(3) 0.0393(9) 0.051(5) Uani 0.3500 8 d
C5 C 0.3465(2) -0.0003(5) 0.3141(3) 0.0344(12) Uani 1.0 8 d
C6a C 0.3056(4) -0.2088(10) 0.2467(5) 0.0302(19) Uani 0.6500 8 d
C6b C 0.3074(6) -0.203(2) 0.0559(9) 0.043(4) Uani 0.3500 8 d
C7a C 0.3033(4) -0.3252(11) 0.1938(7) 0.037(3) Uani 0.6500 8 d
C7b C 0.3000(7) -0.320(3) 0.1077(11) 0.040(5) Uani 0.3500 8 d
C8a C 0.2924(4) -0.2636(9) 0.1197(6) 0.029(2) Uani 0.6500 8 d
C8b C 0.2947(6) -0.277(2) 0.1741(10) 0.026(4) Uani 0.3500 8 d
C9a C 0.3135(3) -0.1194(8) 0.0387(4) 0.0249(15) Uani 0.6500 8 d
C9b C 0.3137(7) -0.136(4) 0.2711(11) 0.069(9) Uani 0.3500 8 d
C10 C 0.3462(2) 0.0005(5) 0.0321(3) 0.0346(12) Uani 1.0 8 d
C11a C 0.3940(3) 0.2007(8) 0.0925(4) 0.0274(15) Uani 0.6500 8 d
C11b C 0.3941(5) 0.206(2) 0.3008(8) 0.039(4) Uani 0.3500 8 d
C12a C 0.4396(3) 0.1280(8) 0.1396(4) 0.0312(16) Uani 0.6500 8 d
C12b C 0.4405(6) 0.134(2) 0.3022(9) 0.045(4) Uani 0.3500 8 d
C13a C 0.4973(6) 0.3833(13) 0.1768(9) 0.090(5) Uani 0.6500 8 d
C13b C 0.4973(7) 0.191(3) 0.0610(11) 0.057(6) Uani 0.3500 8 d
C14a C 0.3737(3) 0.2774(8) 0.2557(4) 0.0291(15) Uani 0.6500 8 d
C14b C 0.3751(6) 0.2766(16) 0.1170(8) 0.040(4) Uani 0.3500 8 d
C15a C 0.3945(3) -0.1993(8) 0.3018(4) 0.0281(16) Uani 0.6500 8 d
C15b C 0.3950(5) -0.2005(19) 0.0954(8) 0.040(4) Uani 0.3500 8 d
C16a C 0.4395(3) -0.1265(8) 0.2999(4) 0.0299(16) Uani 0.6500 8 d
C16b C 0.4401(6) -0.129(2) 0.1373(9) 0.045(4) Uani 0.3500 8 d
C17a C 0.4954(7) -0.3758(14) 0.3212(9) 0.105(6) Uani 0.6500 8 d
C17b C 0.4952(8) -0.188(2) 0.4333(10) 0.067(7) Uani 0.3500 8 d
C18a C 0.3738(3) -0.2759(8) 0.1180(4) 0.0283(15) Uani 0.6500 8 d
C18b C 0.3753(6) -0.2742(17) 0.2556(10) 0.043(4) Uani 0.3500 8 d
C19a C 0.1137(3) -0.0580(8) 0.0574(4) 0.0325(15) Uani 0.7000 8 d
C19b C 0.1122(6) 0.062(3) 0.0561(8) 0.034(4) Uani 0.3000 8 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1a Ni1 N1b 119.4(5) yes . .
N1a Ni1 N2a 94.7(3) yes . .
N1a Ni1 N2b 28.8(5) yes . .
N1a Ni1 N3a 174.6(3) yes . .
N1a Ni1 N3b 59.4(5) yes . .
N1a Ni1 N4a 86.8(3) yes . .
N1a Ni1 N4b 153.5(4) yes . .
N1b Ni1 N2a 28.6(4) yes . .
N1b Ni1 N2b 94.7(6) yes . .
N1b Ni1 N3a 60.4(5) yes . .
N1b Ni1 N3b 175.0(6) yes . .
N1b Ni1 N4a 152.9(5) yes . .
N1b Ni1 N4b 86.4(6) yes . .
N2a Ni1 N2b 67.5(5) yes . .
N2a Ni1 N3a 86.4(3) yes . .
N2a Ni1 N3b 152.5(5) yes . .
N2a Ni1 N4a 157.3(3) yes . .
N2a Ni1 N4b 108.3(5) yes . .
N2b Ni1 N3a 153.5(5) yes . .
N2b Ni1 N3b 85.3(6) yes . .
N2b Ni1 N4a 108.2(5) yes . .
N2b Ni1 N4b 158.0(5) yes . .
N3a Ni1 N3b 120.4(5) yes . .
N3a Ni1 N4a 94.3(3) yes . .
N3a Ni1 N4b 28.6(4) yes . .
N3b Ni1 N4a 30.1(5) yes . .
N3b Ni1 N4b 95.5(6) yes . .
N4a Ni1 N4b 66.9(4) yes . .
C12a S1 C12b 118.1(6) yes . 2_655
C12a S1 C13a 105.6(7) yes . .
C12a S1 C13b 103.8(8) yes . .
C12b S1 C13a 103.2(7) yes 2_655 .
C12b S1 C13b 101.9(9) yes 2_655 .
C13a S1 C13b 125.3(10) yes . .
C16a S2 C16b 118.2(6) yes . 2_655
C16a S2 C17a 103.6(6) yes . .
C16a S2 C17b 102.1(8) yes . .
C16b S2 C17a 105.7(9) yes 2_655 .
C16b S2 C17b 103.1(10) yes 2_655 .
C17a S2 C17b 125.3(10) yes . .
O1 S3 O2 124.8(3) yes . .
O1 S3 O3a 104.4(3) yes . .
O1 S3 O3b 84.4(5) yes . .
O1 S3 C19a 109.8(4) yes . .
O1 S3 C19b 117.4(6) yes . .
O2 S3 O3a 105.1(3) yes . .
O2 S3 O3b 84.8(4) yes . .
O2 S3 C19a 108.8(4) yes . .
O2 S3 C19b 117.3(6) yes . .
O3a S3 O3b 158.4(5) yes . .
O3a S3 C19a 101.2(4) yes . .
O3a S3 C19b 63.8(8) yes . .
O3b S3 C19a 57.2(5) yes . .
O3b S3 C19b 94.6(8) yes . .
C19a S3 C19b 37.4(8) yes . .
C19a F1 C19b 46.6(9) yes . .
C19a F2 C19b 46.8(9) yes . .
O3b F3a C19a 81.1(7) yes . .
O3a F3b C19b 86.1(11) yes . .
S3 O3a F3b 109.1(7) yes . .
S3 O3a C19b 63.1(7) yes . .
F3b O3a C19b 45.9(9) yes . .
S3 O3b F3a 112.4(9) yes . .
S3 O3b C19a 61.6(5) yes . .
F3a O3b C19a 50.8(6) yes . .
Ni1 N1a N2b 72.3(9) yes . .
Ni1 N1a C1a 108.0(5) yes . .
Ni1 N1a C4b 113.6(12) yes . .
Ni1 N1a C10 105.0(4) yes . .
Ni1 N1a C11a 118.9(4) yes . .
Ni1 N1a C14b 104.9(7) yes . .
N2b N1a C1a 46.8(8) yes . .
N2b N1a C4b 78.3(13) yes . .
N2b N1a C10 145.8(9) yes . .
N2b N1a C11a 102.1(9) yes . .
N2b N1a C14b 62.0(10) yes . .
C1a N1a C4b 35.4(12) yes . .
C1a N1a C10 106.8(5) yes . .
C1a N1a C11a 109.1(6) yes . .
C1a N1a C14b 80.1(7) yes . .
C4b N1a C10 71.7(12) yes . .
C4b N1a C11a 124.8(13) yes . .
C4b N1a C14b 111.3(13) yes . .
C10 N1a C11a 108.3(6) yes . .
C10 N1a C14b 145.2(9) yes . .
C11a N1a C14b 40.1(8) yes . .
Ni1 N1b N2a 73.1(10) yes . .
Ni1 N1b C1b 109.8(11) yes . .
Ni1 N1b C4a 114.5(10) yes . .
Ni1 N1b C5 102.9(8) yes . .
Ni1 N1b C11b 118.6(12) yes . .
Ni1 N1b C14a 104.9(9) yes . .
N2a N1b C1b 51.2(11) yes . .
N2a N1b C4a 85.7(11) yes . .
N2a N1b C5 148.2(14) yes . .
N2a N1b C11b 101.6(14) yes . .
N2a N1b C14a 60.7(9) yes . .
C1b N1b C4a 37.8(10) yes . .
C1b N1b C5 104.6(14) yes . .
C1b N1b C11b 112.1(14) yes . .
C1b N1b C14a 84.0(11) yes . .
C4a N1b C5 66.9(10) yes . .
C4a N1b C11b 126.3(15) yes . .
C4a N1b C14a 117.0(12) yes . .
C5 N1b C11b 107.6(11) yes . .
C5 N1b C14a 146.0(10) yes . .
C11b N1b C14a 40.9(8) yes . .
Ni1 N2a N1b 78.3(10) yes . .
Ni1 N2a C1b 130.5(11) yes . .
Ni1 N2a C2b 134.2(9) yes . .
Ni1 N2a C3a 110.9(5) yes . .
Ni1 N2a C4a 102.4(5) yes . .
Ni1 N2a C11b 100.8(6) yes . .
Ni1 N2a C14a 115.6(5) yes . .
N1b N2a C1b 82.2(14) yes . .
N1b N2a C2b 146.6(14) yes . .
N1b N2a C3a 158.6(12) yes . .
N1b N2a C4a 50.5(11) yes . .
N1b N2a C11b 47.8(10) yes . .
N1b N2a C14a 81.7(9) yes . .
C1b N2a C2b 70.2(14) yes . .
C1b N2a C3a 77.3(10) yes . .
C1b N2a C4a 35.2(10) yes . .
C1b N2a C11b 98.5(10) yes . .
C1b N2a C14a 105.7(10) yes . .
C2b N2a C3a 25.0(8) yes . .
C2b N2a C4a 105.3(11) yes . .
C2b N2a C11b 117.3(10) yes . .
C2b N2a C14a 88.1(8) yes . .
C3a N2a C4a 108.1(7) yes . .
C3a N2a C11b 141.5(7) yes . .
C3a N2a C14a 109.6(6) yes . .
C4a N2a C11b 84.8(7) yes . .
C4a N2a C14a 109.8(6) yes . .
C11b N2a C14a 33.9(6) yes . .
Ni1 N2b N1a 78.9(8) yes . .
Ni1 N2b C1a 137.0(10) yes . .
Ni1 N2b C2a 132.8(11) yes . .
Ni1 N2b C3b 112.6(13) yes . .
Ni1 N2b C4b 107.2(12) yes . .
Ni1 N2b C11a 101.2(6) yes . .
Ni1 N2b C14b 115.6(9) yes . .
N1a N2b C1a 89.8(13) yes . .
N1a N2b C2a 148.2(15) yes . .
N1a N2b C3b 164.0(14) yes . .
N1a N2b C4b 56.1(12) yes . .
N1a N2b C11a 47.1(8) yes . .
N1a N2b C14b 81.3(12) yes . .
C1a N2b C2a 65.7(9) yes . .
C1a N2b C3b 74.2(11) yes . .
C1a N2b C4b 37.9(11) yes . .
C1a N2b C11a 100.8(12) yes . .
C1a N2b C14b 103.2(13) yes . .
C2a N2b C3b 21.6(10) yes . .
C2a N2b C4b 103.5(13) yes . .
C2a N2b C11a 115.2(9) yes . .
C2a N2b C14b 84.9(10) yes . .
C3b N2b C4b 108.6(13) yes . .
C3b N2b C11a 135.2(12) yes . .
C3b N2b C14b 102.3(13) yes . .
C4b N2b C11a 87.5(12) yes . .
C4b N2b C14b 110.5(16) yes . .
C11a N2b C14b 34.2(8) yes . .
Ni1 N3a N4b 72.6(8) yes . .
Ni1 N3a C5 105.2(4) yes . .
Ni1 N3a C6a 107.3(5) yes . .
Ni1 N3a C9b 115.4(12) yes . .
Ni1 N3a C15a 118.7(6) yes . .
Ni1 N3a C18b 103.0(8) yes . .
N4b N3a C5 148.4(9) yes . .
N4b N3a C6a 46.6(10) yes . .
N4b N3a C9b 76.4(15) yes . .
N4b N3a C15a 100.2(8) yes . .
N4b N3a C18b 59.1(9) yes . .
C5 N3a C6a 108.6(7) yes . .
C5 N3a C9b 76.5(15) yes . .
C5 N3a C15a 107.7(5) yes . .
C5 N3a C18b 146.4(7) yes . .
C6a N3a C9b 32.1(15) yes . .
C6a N3a C15a 108.9(6) yes . .
C6a N3a C18b 79.4(7) yes . .
C9b N3a C15a 121.7(15) yes . .
C9b N3a C18b 107.0(17) yes . .
C15a N3a C18b 41.2(6) yes . .
Ni1 N3b N4a 72.4(9) yes . .
Ni1 N3b C6b 109.9(13) yes . .
Ni1 N3b C9a 114.1(12) yes . .
Ni1 N3b C10 104.7(9) yes . .
Ni1 N3b C15b 117.2(10) yes . .
Ni1 N3b C18a 104.2(8) yes . .
N4a N3b C6b 50.1(10) yes . .
N4a N3b C9a 83.5(12) yes . .
N4a N3b C10 147.4(14) yes . .
N4a N3b C15b 99.6(13) yes . .
N4a N3b C18a 58.8(9) yes . .
C6b N3b C9a 37.6(9) yes . .
C6b N3b C10 105.1(11) yes . .
C6b N3b C15b 109.4(14) yes . .
C6b N3b C18a 79.7(11) yes . .
C9a N3b C10 67.8(9) yes . .
C9a N3b C15b 127.0(15) yes . .
C9a N3b C18a 113.7(12) yes . .
C10 N3b C15b 109.8(14) yes . .
C10 N3b C18a 147.0(13) yes . .
C15b N3b C18a 40.9(9) yes . .
Ni1 N4a N3b 77.5(9) yes . .
Ni1 N4a C6b 132.9(11) yes . .
Ni1 N4a C7b 133.5(10) yes . .
Ni1 N4a C8a 111.3(6) yes . .
Ni1 N4a C9a 102.5(4) yes . .
Ni1 N4a C15b 99.6(6) yes . .
Ni1 N4a C18a 116.4(4) yes . .
N3b N4a C6b 82.8(13) yes . .
N3b N4a C7b 147.7(13) yes . .
N3b N4a C8a 156.9(9) yes . .
N3b N4a C9a 50.8(8) yes . .
N3b N4a C15b 47.7(10) yes . .
N3b N4a C18a 82.0(10) yes . .
C6b N4a C7b 68.8(13) yes . .
C6b N4a C8a 75.8(11) yes . .
C6b N4a C9a 36.3(11) yes . .
C6b N4a C15b 97.7(12) yes . .
C6b N4a C18a 102.3(11) yes . .
C7b N4a C8a 24.2(10) yes . .
C7b N4a C9a 104.7(8) yes . .
C7b N4a C15b 119.6(10) yes . .
C7b N4a C18a 89.1(9) yes . .
C8a N4a C9a 106.2(6) yes . .
C8a N4a C15b 143.3(7) yes . .
C8a N4a C18a 110.7(6) yes . .
C9a N4a C15b 85.2(7) yes . .
C9a N4a C18a 109.0(7) yes . .
C15b N4a C18a 34.4(6) yes . .
Ni1 N4b N3a 78.8(8) yes . .
Ni1 N4b C6a 135.7(10) yes . .
Ni1 N4b C7a 132.0(9) yes . .
Ni1 N4b C8b 112.8(10) yes . .
Ni1 N4b C9b 109.1(15) yes . .
Ni1 N4b C15a 101.9(6) yes . .
Ni1 N4b C18b 115.7(11) yes . .
N3a N4b C6a 91.1(13) yes . .
N3a N4b C7a 148.8(14) yes . .
N3a N4b C8b 159.7(16) yes . .
N3a N4b C9b 55.7(12) yes . .
N3a N4b C15a 48.6(6) yes . .
N3a N4b C18b 84.3(10) yes . .
C6a N4b C7a 63.8(9) yes . .
C6a N4b C8b 68.9(11) yes . .
C6a N4b C9b 37.7(14) yes . .
C6a N4b C15a 102.9(10) yes . .
C6a N4b C18b 105.8(13) yes . .
C7a N4b C8b 21.5(8) yes . .
C7a N4b C9b 101.5(15) yes . .
C7a N4b C15a 116.3(8) yes . .
C7a N4b C18b 85.2(9) yes . .
C8b N4b C9b 104.0(15) yes . .
C8b N4b C15a 137.2(10) yes . .
C8b N4b C18b 103.9(11) yes . .
C9b N4b C15a 86.6(10) yes . .
C9b N4b C18b 110.7(15) yes . .
C15a N4b C18b 35.7(7) yes . .
N1a C1a N2b 43.4(9) yes . .
N1a C1a C2a 114.1(7) yes . .
N1a C1a C3b 109.1(8) yes . .
N1a C1a C4b 53.0(12) yes . .
N2b C1a C2a 73.5(10) yes . .
N2b C1a C3b 65.6(11) yes . .
N2b C1a C4b 91.5(14) yes . .
C2a C1a C3b 21.3(10) yes . .
C2a C1a C4b 164.3(14) yes . .
C3b C1a C4b 146.3(18) yes . .
N1b C1b N2a 46.6(10) yes . .
N1b C1b C2b 114.2(17) yes . .
N1b C1b C3a 107.7(15) yes . .
N1b C1b C4a 54.7(13) yes . .
N2a C1b C2b 69.9(14) yes . .
N2a C1b C3a 61.3(10) yes . .
N2a C1b C4a 97.1(18) yes . .
C2b C1b C3a 24.3(9) yes . .
C2b C1b C4a 166(3) yes . .
C3a C1b C4a 145(2) yes . .
N2b C2a C1a 40.8(7) yes . .
N2b C2a C2b 102.1(11) yes . .
N2b C2a C3a 87.7(9) yes . .
N2b C2a C3b 74(3) yes . .
C1a C2a C2b 134.9(11) yes . .
C1a C2a C3a 113.7(9) yes . .
C1a C2a C3b 90(3) yes . .
C2b C2a C3a 22.6(8) yes . .
C2b C2a C3b 48(3) yes . .
C3a C2a C3b 26(2) yes . .
N2a C2b C1b 39.9(9) yes . .
N2a C2b C2a 96.4(14) yes . .
N2a C2b C3a 65.0(18) yes . .
N2a C2b C3b 87.0(15) yes . .
C1b C2b C2a 131.1(17) yes . .
C1b C2b C3a 79(3) yes . .
C1b C2b C3b 116.0(18) yes . .
C2a C2b C3a 59(3) yes . .
C2a C2b C3b 18.0(11) yes . .
C3a C2b C3b 41(2) yes . .
N2a C3a C1b 41.4(7) yes . .
N2a C3a C2a 115.0(9) yes . .
N2a C3a C2b 90.0(18) yes . .
N2a C3a C3b 114.6(14) yes . .
C1b C3a C2a 155.1(10) yes . .
C1b C3a C2b 77(3) yes . .
C1b C3a C3b 155.5(16) yes . .
C2a C3a C2b 99(3) yes . .
C2a C3a C3b 14.7(13) yes . .
C2b C3a C3b 113(3) yes . .
N2b C3b C1a 40.2(8) yes . .
N2b C3b C2a 85(3) yes . .
N2b C3b C2b 122.7(15) yes . .
N2b C3b C3a 113.4(17) yes . .
C1a C3b C2a 69(3) yes . .
C1a C3b C2b 162.7(17) yes . .
C1a C3b C3a 147(2) yes . .
C2a C3b C2b 114(3) yes . .
C2a C3b C3a 139(4) yes . .
C2b C3b C3a 26.0(12) yes . .
N1b C4a N2a 43.8(8) yes . .
N1b C4a C1b 87.4(16) yes . .
N1b C4a C5 68.2(9) yes . .
N2a C4a C1b 47.7(14) yes . .
N2a C4a C5 110.4(7) yes . .
C1b C4a C5 155.1(15) yes . .
N1a C4b N2b 45.6(9) yes . .
N1a C4b C1a 91.6(15) yes . .
N1a C4b C10 62.2(10) yes . .
N2b C4b C1a 50.6(11) yes . .
N2b C4b C10 106.2(12) yes . .
C1a C4b C10 152.9(17) yes . .
N1b C5 N3a 90.8(8) yes . .
N1b C5 C4a 44.9(7) yes . .
N1b C5 C9b 110.7(11) yes . .
N3a C5 C4a 110.3(5) yes . .
N3a C5 C9b 42.9(9) yes . .
C4a C5 C9b 97.6(9) yes . .
N3a C6a N4b 42.3(7) yes . .
N3a C6a C7a 114.8(9) yes . .
N3a C6a C8b 110.8(10) yes . .
N3a C6a C9b 47.5(17) yes . .
N4b C6a C7a 74.9(10) yes . .
N4b C6a C8b 68.6(11) yes . .
N4b C6a C9b 87(2) yes . .
C7a C6a C8b 22.5(8) yes . .
C7a C6a C9b 162(2) yes . .
C8b C6a C9b 147(3) yes . .
N3b C6b N4a 47.2(9) yes . .
N3b C6b C7b 114.7(13) yes . .
N3b C6b C8a 107.9(12) yes . .
N3b C6b C9a 53.1(11) yes . .
N3b C6b C18a 55.2(8) yes . .
N4a C6b C7b 69.1(12) yes . .
N4a C6b C8a 61.2(10) yes . .
N4a C6b C9a 95.1(16) yes . .
N4a C6b C18a 44.8(7) yes . .
C7b C6b C8a 23.4(10) yes . .
C7b C6b C9a 162(2) yes . .
C7b C6b C18a 71.3(10) yes . .
C8a C6b C9a 140(2) yes . .
C8a C6b C18a 81.6(8) yes . .
C9a C6b C18a 104.5(13) yes . .
N4b C7a C6a 41.4(7) yes . .
N4b C7a C7b 100.6(11) yes . .
N4b C7a C8a 87.2(8) yes . .
N4b C7a C8b 70.4(18) yes . .
C6a C7a C7b 132.7(11) yes . .
C6a C7a C8a 112.1(8) yes . .
C6a C7a C8b 81(3) yes . .
C7b C7a C8a 22.0(8) yes . .
C7b C7a C8b 55(3) yes . .
C8a C7a C8b 34(3) yes . .
N4a C7b C6b 42.0(9) yes . .
N4a C7b C7a 98.7(11) yes . .
N4a C7b C8a 67(2) yes . .
N4a C7b C8b 89.3(13) yes . .
C6b C7b C7a 136.6(16) yes . .
C6b C7b C8a 81(3) yes . .
C6b C7b C8b 120.8(17) yes . .
C7a C7b C8a 63(2) yes . .
C7a C7b C8b 19.5(8) yes . .
C8a C7b C8b 43.6(19) yes . .
N4a C8a C6b 43.1(7) yes . .
N4a C8a C7a 113.8(7) yes . .
N4a C8a C7b 89(3) yes . .
N4a C8a C8b 113.9(11) yes . .
C6b C8a C7a 153.9(10) yes . .
C6b C8a C7b 76(3) yes . .
C6b C8a C8b 156.8(13) yes . .
C7a C8a C7b 95(3) yes . .
C7a C8a C8b 17.5(11) yes . .
C7b C8a C8b 112(3) yes . .
N4b C8b C6a 42.5(9) yes . .
N4b C8b C7a 88.1(19) yes . .
N4b C8b C7b 118.3(16) yes . .
N4b C8b C8a 111.5(16) yes . .
C6a C8b C7a 76(3) yes . .
C6a C8b C7b 160.8(16) yes . .
C6a C8b C8a 147.9(17) yes . .
C7a C8b C7b 105(3) yes . .
C7a C8b C8a 129(3) yes . .
C7b C8b C8a 24.1(11) yes . .
N3b C9a N4a 45.7(9) yes . .
N3b C9a C6b 89.2(13) yes . .
N3b C9a C10 65.9(9) yes . .
N4a C9a C6b 48.6(11) yes . .
N4a C9a C10 110.1(5) yes . .
C6b C9a C10 153.8(12) yes . .
N3a C9b N4b 47.9(11) yes . .
N3a C9b C5 60.6(12) yes . .
N3a C9b C6a 100(3) yes . .
N4b C9b C5 106.9(16) yes . .
N4b C9b C6a 55.4(17) yes . .
C5 C9b C6a 161(3) yes . .
N1a C10 N3b 89.9(8) yes . .
N1a C10 C4b 46.2(7) yes . .
N1a C10 C9a 110.6(6) yes . .
N3b C10 C4b 110.5(11) yes . .
N3b C10 C9a 46.3(7) yes . .
C4b C10 C9a 95.1(10) yes . .
N1a C11a N2b 30.8(5) yes . .
N1a C11a C12a 111.1(6) yes . .
N1a C11a C14b 81.2(10) yes . .
N2b C11a C12a 120.4(7) yes . .
N2b C11a C14b 50.4(10) yes . .
C12a C11a C14b 117.8(10) yes . .
N1b C11b N2a 30.6(7) yes . .
N1b C11b C12b 113.2(15) yes . .
N1b C11b C14a 78.0(10) yes . .
N2a C11b C12b 122.5(12) yes . .
N2a C11b C14a 47.3(7) yes . .
C12b C11b C14a 119.9(17) yes . .
S1 C12a C11a 113.3(6) yes . .
S1 C12b C11b 119.1(12) yes 2_655 .
N1b C14a N2a 37.6(5) yes . .
N1b C14a C11b 61.1(10) yes . .
N2a C14a C11b 98.7(10) yes . .
N1a C14b N2b 36.7(7) yes . .
N1a C14b C11a 58.7(8) yes . .
N2b C14b C11a 95.4(12) yes . .
N3a C15a N4b 31.2(5) yes . .
N3a C15a C16a 111.2(6) yes . .
N3a C15a C18b 80.0(9) yes . .
N4b C15a C16a 120.2(7) yes . .
N4b C15a C18b 48.9(9) yes . .
C16a C15a C18b 116.2(13) yes . .
N3b C15b N4a 32.6(8) yes . .
N3b C15b C16b 113.7(15) yes . .
N3b C15b C18a 79.6(12) yes . .
N4a C15b C16b 124.6(13) yes . .
N4a C15b C18a 47.1(8) yes . .
C16b C15b C18a 123.9(15) yes . .
S2 C16a C15a 113.3(5) yes . .
S2 C16b C15b 119.0(13) yes 2_655 .
N3b C18a N4a 39.2(7) yes . .
N3b C18a C6b 45.1(8) yes . .
N3b C18a C15b 59.5(11) yes . .
N4a C18a C6b 33.0(6) yes . .
N4a C18a C15b 98.6(10) yes . .
C6b C18a C15b 94.9(10) yes . .
N3a C18b N4b 36.6(6) yes . .
N3a C18b C15a 58.8(8) yes . .
N4b C18b C15a 95.4(13) yes . .
S3 C19a F1 111.3(6) yes . .
S3 C19a F2 112.6(5) yes . .
S3 C19a F3a 109.3(5) yes . .
S3 C19a O3b 61.1(5) yes . .
S3 C19a C19b 69.9(10) yes . .
F1 C19a F2 101.4(6) yes . .
F1 C19a F3a 111.1(6) yes . .
F1 C19a O3b 127.8(7) yes . .
F1 C19a C19b 68.8(8) yes . .
F2 C19a F3a 111.0(7) yes . .
F2 C19a O3b 130.0(7) yes . .
F2 C19a C19b 70.0(11) yes . .
F3a C19a O3b 48.1(6) yes . .
F3a C19a C19b 179.0(13) yes . .
O3b C19a C19b 131.1(11) yes . .
S3 C19b F1 110.6(12) yes . .
S3 C19b F2 110.5(10) yes . .
S3 C19b F3b 101.0(12) yes . .
S3 C19b O3a 53.1(6) yes . .
S3 C19b C19a 72.7(10) yes . .
F1 C19b F2 95.9(12) yes . .
F1 C19b F3b 119.5(13) yes . .
F1 C19b O3a 131.6(13) yes . .
F1 C19b C19a 64.6(10) yes . .
F2 C19b F3b 119.5(16) yes . .
F2 C19b O3a 132.0(10) yes . .
F2 C19b C19a 63.2(11) yes . .
F3b C19b O3a 48.0(9) yes . .
F3b C19b C19a 173.6(17) yes . .
O3a C19b C19a 125.7(14) yes . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ni1 N1a 2.125(7) yes .
Ni1 N1b 2.132(17) yes .
Ni1 N2a 2.084(6) yes .
Ni1 N2b 2.063(14) yes .
Ni1 N3a 2.123(7) yes .
Ni1 N3b 2.126(17) yes .
Ni1 N4a 2.076(6) yes .
Ni1 N4b 2.065(13) yes .
S1 C12a 1.894(9) yes .
S1 C12b 1.980(15) yes 2_655
S1 C13a 1.717(13) yes .
S1 C13b 1.64(3) yes .
S2 C16a 1.895(7) yes .
S2 C16b 1.994(18) yes 2_655
S2 C17a 1.666(15) yes .
S2 C17b 1.59(2) yes .
S3 O1 1.383(6) yes .
S3 O2 1.390(5) yes .
S3 O3a 1.553(6) yes .
S3 O3b 1.753(13) yes .
S3 C19a 1.762(8) yes .
S3 C19b 1.733(17) yes .
F1 C19a 1.394(8) yes .
F1 C19b 1.439(16) yes .
F2 C19a 1.373(10) yes .
F2 C19b 1.44(2) yes .
F3a O3b 1.269(14) yes .
F3a C19a 1.320(9) yes .
F3b O3a 1.298(13) yes .
F3b C19b 1.26(3) yes .
O3a C19b 1.744(19) yes .
O3b C19a 1.683(15) yes .
N1a N2b 1.043(17) yes .
N1a C1a 1.517(10) yes .
N1a C4b 1.212(17) yes .
N1a C10 1.485(8) yes .
N1a C11a 1.492(10) yes .
N1a C14b 1.725(16) yes .
N1b N2a 1.043(15) yes .
N1b C1b 1.42(3) yes .
N1b C4a 1.16(2) yes .
N1b C5 1.528(17) yes .
N1b C11b 1.51(2) yes .
N1b C14a 1.691(18) yes .
N2a C1b 1.12(3) yes .
N2a C2b 1.64(3) yes .
N2a C3a 1.485(10) yes .
N2a C4a 1.503(12) yes .
N2a C11b 2.004(14) yes .
N2a C14a 1.491(9) yes .
N2b C1a 1.105(15) yes .
N2b C2a 1.620(18) yes .
N2b C3b 1.56(3) yes .
N2b C4b 1.43(3) yes .
N2b C11a 1.991(18) yes .
N2b C14b 1.54(3) yes .
N3a N4b 1.037(13) yes .
N3a C5 1.477(9) yes .
N3a C6a 1.541(11) yes .
N3a C9b 1.15(3) yes .
N3a C15a 1.502(9) yes .
N3a C18b 1.730(18) yes .
N3b N4a 1.092(19) yes .
N3b C6b 1.48(3) yes .
N3b C9a 1.182(15) yes .
N3b C10 1.494(17) yes .
N3b C15b 1.50(3) yes .
N3b C18a 1.711(17) yes .
N4a C6b 1.142(16) yes .
N4a C7b 1.59(3) yes .
N4a C8a 1.465(12) yes .
N4a C9a 1.517(9) yes .
N4a C15b 1.997(18) yes .
N4a C18a 1.478(10) yes .
N4b C6a 1.120(19) yes .
N4b C7a 1.637(15) yes .
N4b C8b 1.543(19) yes .
N4b C9b 1.36(3) yes .
N4b C15a 1.971(12) yes .
N4b C18b 1.491(19) yes .
C1a C2a 1.540(16) yes .
C1a C3b 1.65(3) yes .
C1a C4b 0.88(3) yes .
C1b C2b 1.64(3) yes .
C1b C3a 1.65(2) yes .
C1b C4a 0.87(2) yes .
C2a C2b 1.78(3) yes .
C2a C3a 1.536(18) yes .
C2a C3b 0.60(3) yes .
C2b C3a 0.69(3) yes .
C2b C3b 1.45(4) yes .
C3a C3b 1.03(3) yes .
C4a C5 1.513(9) yes .
C4b C10 1.59(3) yes .
C5 C9b 1.65(3) yes .
C6a C7a 1.521(16) yes .
C6a C8b 1.55(3) yes .
C6a C9b 0.83(3) yes .
C6b C7b 1.59(3) yes .
C6b C8a 1.62(3) yes .
C6b C9a 0.90(3) yes .
C6b C18a 2.051(16) yes .
C7a C7b 1.73(3) yes .
C7a C8a 1.551(17) yes .
C7a C8b 0.60(2) yes .
C7b C8a 0.65(3) yes .
C7b C8b 1.48(4) yes .
C8a C8b 1.10(3) yes .
C9a C10 1.515(10) yes .
C11a C12a 1.519(9) yes .
C11a C14b 1.12(2) yes .
C11b C12b 1.52(3) yes .
C11b C14a 1.132(17) yes .
C15a C16a 1.504(11) yes .
C15a C18b 1.157(18) yes .
C15b C16b 1.47(2) yes .
C15b C18a 1.14(2) yes .
C19a C19b 1.12(3) yes .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ni1 C12a 3.275(9) no .
Ni1 C12b 3.339(15) no .
Ni1 C16a 3.274(7) no .
Ni1 C16b 3.319(19) no .
S1 C14b 3.509(18) no .
S2 C18b 3.522(16) no .
F1 O1 2.974(6) no .
F2 O2 2.976(6) no .
F3a O1 3.038(8) no .
F3a O2 3.025(6) no .
F3b O1 3.168(14) no .
F3b O2 3.173(12) no .
N1a C3a 3.210(13) no .
N1a C6b 3.19(2) no .
N1a C15b 3.186(18) no .
N1a C16b 3.361(18) no .
N1b C2a 3.576(19) no .
N1b C3b 3.16(3) no .
N1b C6a 3.285(18) no .
N1b C15a 3.227(17) no .
N1b C16a 3.383(17) no .
N2a C1a 3.183(10) no .
N2a C9b 3.24(3) no .
N2a C14b 2.98(2) no .
N2b C1b 3.24(3) no .
N2b C9a 3.084(15) no .
N2b C14a 2.978(16) no .
N3a C1b 3.140(19) no .
N3a C8a 3.212(11) no .
N3a C11b 3.216(19) no .
N3a C12b 3.399(18) no .
N3b C1a 3.228(18) no .
N3b C8b 3.24(3) no .
N3b C11a 3.180(18) no .
N3b C12a 3.342(17) no .
N4a C4b 3.19(3) no .
N4a C6a 3.144(13) no .
N4a C9b 3.53(3) no .
N4a C18b 2.913(18) no .
N4b C4a 3.096(15) no .
N4b C6b 3.26(3) no .
N4b C18a 2.954(17) no .
C1a C9a 3.084(11) no .
C1b C9b 3.14(4) no .
C2a C14a 3.058(13) no .
C2b C14b 3.18(4) no .
C3a C4b 3.24(3) no .
C3a C14b 3.03(3) no .
C3b C4a 3.32(3) no .
C3b C14a 2.896(18) no .
C4a C6a 3.112(12) no .
C4b C6b 3.10(4) no .
C5 C12b 3.14(2) no .
C5 C16a 3.096(11) no .
C7a C18a 3.035(17) no .
C7b C18b 3.11(3) no .
C8a C9b 3.18(3) no .
C8a C18b 3.008(18) no .
C8b C9a 3.36(3) no .
C8b C18a 2.94(3) no .
C9a C16b 3.583(16) no .
C9b C16a 3.56(3) no .
C10 C12a 3.111(9) no .
C10 C16b 3.109(16) no .
C11a C13a 3.400(15) no .
C11a C13b 3.33(3) no .
C11a C16b 3.366(19) no .
C11b C13a 3.50(3) no 2_655
C11b C13b 3.47(3) no 2_655
C11b C16a 3.385(19) no .
C12a C12b 3.32(2) no .
C12a C15b 3.341(18) no .
C12a C16b 2.40(2) no .
C12b C15a 3.40(2) no .
C12b C16a 2.44(2) no .
C13a C13a 2.95(3) no 2_655
C13a C14b 3.53(3) no .
C13b C17b 3.54(3) no 2_655
C14a C14b 2.859(19) no .
C15a C17a 3.31(2) no .
C15a C17b 3.252(19) no .
C15b C17a 3.50(3) no 2_655
C15b C17b 3.49(3) no 2_655
C15b C18b 3.59(3) no .
C16a C16b 3.34(2) no .
C17a C17a 3.02(3) no 2_655
C17a C18b 3.46(3) no .
C18a C18b 2.81(3) no .
F1 C11a 3.492(9) no 7_555
F1 C14b 3.549(18) no 7_555
F1 C15b 3.393(18) no 7_545
F1 C18a 3.497(10) no 7_545
F2 C11b 3.330(18) no 6_545
F2 C14a 3.487(8) no 6_545
F2 C15a 3.513(9) no 6_555
F3a C11b 3.132(19) no 6_545
F3a C15b 3.199(18) no 7_545
F3b C11a 3.152(15) no 7_555
F3b C13b 3.54(2) no 7_555
F3b C15a 3.147(16) no 6_555
F3b C17b 3.51(3) no 6_555
O1 C1a 3.459(10) no 7_555
O1 C2a 3.493(15) no 7_555
O1 C6b 3.26(2) no 7_545
O1 C7b 3.42(3) no 7_545
O2 C1b 3.30(2) no 6_545
O2 C2b 3.36(3) no 6_545
O2 C6a 3.465(11) no 6_555
O2 C7a 3.507(14) no 6_555
O3a C1a 3.468(11) no 7_555
O3a C4b 3.38(3) no 7_555
O3a C6a 3.499(11) no 6_555
O3a C9b 3.36(3) no 6_555
O3a C11a 3.549(8) no 7_555
O3a C15a 3.566(11) no 6_555
O3b C1b 3.50(3) no 6_545
O3b C4a 3.426(14) no 6_545
O3b C6b 3.43(3) no 7_545
O3b C9a 3.399(16) no 7_545
O3b C11b 3.57(3) no 6_545
O3b C15b 3.598(19) no 7_545
C1a O1 3.459(10) no 7_555
C1a O3a 3.468(11) no 7_555
C1a C1a 3.428(10) no 7_555
C1b O2 3.30(2) no 6_555
C1b O3b 3.50(3) no 6_555
C1b C6a 3.44(2) no 6_555
C2a O1 3.493(15) no 7_555
C2a C7b 3.33(3) no 1_565
C2b O2 3.36(3) no 6_555
C2b C7a 3.27(3) no 1_565
C4a O3b 3.426(14) no 6_555
C4b O3a 3.38(3) no 7_555
C6a O2 3.465(11) no 6_545
C6a O3a 3.499(11) no 6_545
C6a C1b 3.44(2) no 6_545
C6b O1 3.26(2) no 7_545
C6b O3b 3.43(3) no 7_545
C6b C6b 3.48(2) no 7_545
C7a O2 3.507(14) no 6_545
C7a C2b 3.27(3) no 1_545
C7b O1 3.42(3) no 7_545
C7b C2a 3.33(3) no 1_545
C9a O3b 3.399(16) no 7_545
C9b O3a 3.36(3) no 6_545
C11a F1 3.492(9) no 7_555
C11a F3b 3.152(15) no 7_555
C11a O3a 3.549(8) no 7_555
C11b F2 3.330(18) no 6_555
C11b F3a 3.132(19) no 6_555
C11b O3b 3.57(3) no 6_555
C13a C17a 2.261(18) no 2_665
C13b F3b 3.54(2) no 7_555
C13b C17b 2.60(3) no 4_554
C14a F2 3.487(8) no 6_555
C14b F1 3.549(18) no 7_555
C15a F2 3.513(9) no 6_545
C15a F3b 3.147(16) no 6_545
C15a O3a 3.566(11) no 6_545
C15b F1 3.393(18) no 7_545
C15b F3a 3.199(18) no 7_545
C15b O3b 3.598(19) no 7_545
C17a C13a 2.261(18) no 2_645
C17b F3b 3.51(3) no 6_545
C17b C13b 2.60(3) no 4_555
C18a F1 3.497(10) no 7_545
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1a Ni1 N1b N2a 33.2(10) no . . .
N1a Ni1 N1b C1b 69.6(10) no . . .
N1a Ni1 N1b C4a 110.3(10) no . . .
N1a Ni1 N1b C5 -179.5(5) no . . .
N1a Ni1 N1b C11b -61.0(10) no . . .
N1a Ni1 N1b C14a -19.3(8) no . . .
N1b Ni1 N1a N2b -34.0(6) no . . .
N1b Ni1 N1a C1a -64.7(6) no . . .
N1b Ni1 N1a C4b -102.2(6) no . . .
N1b Ni1 N1a C10 -178.5(5) no . . .
N1b Ni1 N1a C11a 60.3(6) no . . .
N1b Ni1 N1a C14b 19.5(6) no . . .
N1a Ni1 N2a N1b -151.4(4) no . . .
N1a Ni1 N2a C1b 139.8(5) no . . .
N1a Ni1 N2a C2b 37.8(6) no . . .
N1a Ni1 N2a C3a 48.8(4) no . . .
N1a Ni1 N2a C4a 164.0(3) no . . .
N1a Ni1 N2a C11b -109.0(3) no . . .
N1a Ni1 N2a C14a -76.7(4) no . . .
N2a Ni1 N1a N2b -18.7(3) no . . .
N2a Ni1 N1a C1a -49.4(3) no . . .
N2a Ni1 N1a C4b -87.0(5) no . . .
N2a Ni1 N1a C10 -163.2(3) no . . .
N2a Ni1 N1a C11a 75.5(4) no . . .
N2a Ni1 N1a C14b 34.8(3) no . . .
N1a Ni1 N2b N1a 0.0(3) no . . .
N1a Ni1 N2b C1a 77.6(17) no . . .
N1a Ni1 N2b C2a 177.4(16) no . . .
N1a Ni1 N2b C3b 168.4(13) no . . .
N1a Ni1 N2b C4b 49.0(7) no . . .
N1a Ni1 N2b C11a -41.8(6) no . . .
N1a Ni1 N2b C14b -74.7(11) no . . .
N2b Ni1 N1a N2b 0.0(7) no . . .
N2b Ni1 N1a C1a -30.7(7) no . . .
N2b Ni1 N1a C4b -68.2(8) no . . .
N2b Ni1 N1a C10 -144.5(9) no . . .
N2b Ni1 N1a C11a 94.3(9) no . . .
N2b Ni1 N1a C14b 53.5(8) no . . .
N1a Ni1 N3b N4a -153.3(9) no . . .
N1a Ni1 N3b C6b -119.5(9) no . . .
N1a Ni1 N3b C9a -79.0(11) no . . .
N1a Ni1 N3b C10 -7.1(6) no . . .
N1a Ni1 N3b C15b 114.8(12) no . . .
N1a Ni1 N3b C18a 156.5(10) no . . .
N3b Ni1 N1a N2b 151.6(6) no . . .
N3b Ni1 N1a C1a 120.9(6) no . . .
N3b Ni1 N1a C4b 83.4(6) no . . .
N3b Ni1 N1a C10 7.2(5) no . . .
N3b Ni1 N1a C11a -114.1(7) no . . .
N3b Ni1 N1a C14b -154.9(6) no . . .
N1a Ni1 N4a N3b 22.8(3) no . . .
N1a Ni1 N4a C6b -44.7(7) no . . .
N1a Ni1 N4a C7b -146.4(5) no . . .
N1a Ni1 N4a C8a -134.8(3) no . . .
N1a Ni1 N4a C9a -21.7(4) no . . .
N1a Ni1 N4a C15b 65.4(3) no . . .
N1a Ni1 N4a C18a 97.1(4) no . . .
N4a Ni1 N1a N2b 138.5(3) no . . .
N4a Ni1 N1a C1a 107.9(3) no . . .
N4a Ni1 N1a C4b 70.3(4) no . . .
N4a Ni1 N1a C10 -5.9(3) no . . .
N4a Ni1 N1a C11a -127.2(4) no . . .
N4a Ni1 N1a C14b -167.9(3) no . . .
N1a Ni1 N4b N3a 169.2(4) no . . .
N1a Ni1 N4b C6a -110.8(13) no . . .
N1a Ni1 N4b C7a -16.7(16) no . . .
N1a Ni1 N4b C8b -28.2(14) no . . .
N1a Ni1 N4b C9b -143.3(6) no . . .
N1a Ni1 N4b C15a 126.2(6) no . . .
N1a Ni1 N4b C18b 91.2(9) no . . .
N4b Ni1 N1a N2b 131.7(8) no . . .
N4b Ni1 N1a C1a 101.0(9) no . . .
N4b Ni1 N1a C4b 63.5(10) no . . .
N4b Ni1 N1a C10 -12.8(10) no . . .
N4b Ni1 N1a C11a -134.0(8) no . . .
N4b Ni1 N1a C14b -174.8(8) no . . .
N1b Ni1 N2a N1b 0.0(9) no . . .
N1b Ni1 N2a C1b -68.8(10) no . . .
N1b Ni1 N2a C2b -170.8(12) no . . .
N1b Ni1 N2a C3a -159.8(11) no . . .
N1b Ni1 N2a C4a -44.6(9) no . . .
N1b Ni1 N2a C11b 42.4(9) no . . .
N1b Ni1 N2a C14a 74.7(10) no . . .
N2a Ni1 N1b N2a -0.0(4) no . . .
N2a Ni1 N1b C1b 36.4(6) no . . .
N2a Ni1 N1b C4a 77.1(11) no . . .
N2a Ni1 N1b C5 147.3(14) no . . .
N2a Ni1 N1b C11b -94.2(13) no . . .
N2a Ni1 N1b C14a -52.5(8) no . . .
N1b Ni1 N2b N1a 150.7(7) no . . .
N1b Ni1 N2b C1a -131.7(18) no . . .
N1b Ni1 N2b C2a -31.9(10) no . . .
N1b Ni1 N2b C3b -40.9(8) no . . .
N1b Ni1 N2b C4b -160.3(9) no . . .
N1b Ni1 N2b C11a 108.9(7) no . . .
N1b Ni1 N2b C14b 76.1(10) no . . .
N2b Ni1 N1b N2a 17.5(9) no . . .
N2b Ni1 N1b C1b 53.9(10) no . . .
N2b Ni1 N1b C4a 94.6(11) no . . .
N2b Ni1 N1b C5 164.8(7) no . . .
N2b Ni1 N1b C11b -76.7(9) no . . .
N2b Ni1 N1b C14a -35.0(7) no . . .
N1b Ni1 N3a N4b 153.1(6) no . . .
N1b Ni1 N3a C5 6.0(5) no . . .
N1b Ni1 N3a C6a 121.5(6) no . . .
N1b Ni1 N3a C9b 88.1(6) no . . .
N1b Ni1 N3a C15a -114.6(6) no . . .
N1b Ni1 N3a C18b -155.7(6) no . . .
N3a Ni1 N1b N2a -153.0(10) no . . .
N3a Ni1 N1b C1b -116.6(10) no . . .
N3a Ni1 N1b C4a -75.9(10) no . . .
N3a Ni1 N1b C5 -5.7(5) no . . .
N3a Ni1 N1b C11b 112.7(10) no . . .
N3a Ni1 N1b C14a 154.5(8) no . . .
N1b Ni1 N4a N3b -171.6(8) no . . .
N1b Ni1 N4a C6b 121.0(10) no . . .
N1b Ni1 N4a C7b 19.3(11) no . . .
N1b Ni1 N4a C8a 30.8(10) no . . .
N1b Ni1 N4a C9a 143.9(8) no . . .
N1b Ni1 N4a C15b -129.0(9) no . . .
N1b Ni1 N4a C18a -97.2(10) no . . .
N4a Ni1 N1b N2a -130.3(8) no . . .
N4a Ni1 N1b C1b -93.9(11) no . . .
N4a Ni1 N1b C4a -53.2(15) no . . .
N4a Ni1 N1b C5 17.0(14) no . . .
N4a Ni1 N1b C11b 135.5(8) no . . .
N4a Ni1 N1b C14a 177.2(4) no . . .
N1b Ni1 N4b N3a -23.2(8) no . . .
N1b Ni1 N4b C6a 56.7(12) no . . .
N1b Ni1 N4b C7a 150.8(10) no . . .
N1b Ni1 N4b C8b 139.3(8) no . . .
N1b Ni1 N4b C9b 24.2(7) no . . .
N1b Ni1 N4b C15a -66.3(6) no . . .
N1b Ni1 N4b C18b -101.3(8) no . . .
N4b Ni1 N1b N2a -140.5(9) no . . .
N4b Ni1 N1b C1b -104.1(9) no . . .
N4b Ni1 N1b C4a -63.4(11) no . . .
N4b Ni1 N1b C5 6.8(7) no . . .
N4b Ni1 N1b C11b 125.3(9) no . . .
N4b Ni1 N1b C14a 167.0(7) no . . .
N2a Ni1 N2b N1a 159.7(8) no . . .
N2a Ni1 N2b C1a -122.7(19) no . . .
N2a Ni1 N2b C2a -22.9(8) no . . .
N2a Ni1 N2b C3b -31.9(6) no . . .
N2a Ni1 N2b C4b -151.3(10) no . . .
N2a Ni1 N2b C11a 117.9(6) no . . .
N2a Ni1 N2b C14b 85.0(9) no . . .
N2b Ni1 N2a N1b -161.0(6) no . . .
N2b Ni1 N2a C1b 130.1(7) no . . .
N2b Ni1 N2a C2b 28.1(6) no . . .
N2b Ni1 N2a C3a 39.2(5) no . . .
N2b Ni1 N2a C4a 154.3(5) no . . .
N2b Ni1 N2a C11b -118.7(5) no . . .
N2b Ni1 N2a C14a -86.3(6) no . . .
N2a Ni1 N3a N4b 140.5(4) no . . .
N2a Ni1 N3a C5 -6.6(3) no . . .
N2a Ni1 N3a C6a 109.0(4) no . . .
N2a Ni1 N3a C9b 75.5(5) no . . .
N2a Ni1 N3a C15a -127.2(4) no . . .
N2a Ni1 N3a C18b -168.2(3) no . . .
N3a Ni1 N2a N1b 23.3(4) no . . .
N3a Ni1 N2a C1b -45.6(5) no . . .
N3a Ni1 N2a C2b -147.5(6) no . . .
N3a Ni1 N2a C3a -136.5(4) no . . .
N3a Ni1 N2a C4a -21.4(3) no . . .
N3a Ni1 N2a C11b 65.7(3) no . . .
N3a Ni1 N2a C14a 98.0(4) no . . .
N2a Ni1 N3b N4a -132.1(8) no . . .
N2a Ni1 N3b C6b -98.3(12) no . . .
N2a Ni1 N3b C9a -57.8(18) no . . .
N2a Ni1 N3b C10 14.1(16) no . . .
N2a Ni1 N3b C15b 136.0(7) no . . .
N2a Ni1 N3b C18a 177.7(4) no . . .
N3b Ni1 N2a N1b -169.6(10) no . . .
N3b Ni1 N2a C1b 121.6(11) no . . .
N3b Ni1 N2a C2b 19.6(13) no . . .
N3b Ni1 N2a C3a 30.7(12) no . . .
N3b Ni1 N2a C4a 145.8(10) no . . .
N3b Ni1 N2a C11b -127.2(10) no . . .
N3b Ni1 N2a C14a -94.9(11) no . . .
N2a Ni1 N4a N3b 117.3(6) no . . .
N2a Ni1 N4a C6b 49.8(11) no . . .
N2a Ni1 N4a C7b -51.9(8) no . . .
N2a Ni1 N4a C8a -40.4(8) no . . .
N2a Ni1 N4a C9a 72.7(8) no . . .
N2a Ni1 N4a C15b 159.9(5) no . . .
N2a Ni1 N4a C18a -168.4(5) no . . .
N4a Ni1 N2a N1b 115.7(6) no . . .
N4a Ni1 N2a C1b 46.9(9) no . . .
N4a Ni1 N2a C2b -55.1(10) no . . .
N4a Ni1 N2a C3a -44.1(9) no . . .
N4a Ni1 N2a C4a 71.1(7) no . . .
N4a Ni1 N2a C11b 158.1(5) no . . .
N4a Ni1 N2a C14a -169.6(5) no . . .
N2a Ni1 N4b N3a -42.0(8) no . . .
N2a Ni1 N4b C6a 38.0(12) no . . .
N2a Ni1 N4b C7a 132.1(9) no . . .
N2a Ni1 N4b C8b 120.6(7) no . . .
N2a Ni1 N4b C9b 5.5(7) no . . .
N2a Ni1 N4b C15a -85.0(6) no . . .
N2a Ni1 N4b C18b -120.0(7) no . . .
N4b Ni1 N2a N1b 42.0(5) no . . .
N4b Ni1 N2a C1b -26.8(6) no . . .
N4b Ni1 N2a C2b -128.8(6) no . . .
N4b Ni1 N2a C3a -117.8(5) no . . .
N4b Ni1 N2a C4a -2.6(4) no . . .
N4b Ni1 N2a C11b 84.4(4) no . . .
N4b Ni1 N2a C14a 116.7(5) no . . .
N2b Ni1 N3a N4b 131.5(9) no . . .
N2b Ni1 N3a C5 -15.6(10) no . . .
N2b Ni1 N3a C6a 100.0(9) no . . .
N2b Ni1 N3a C9b 66.5(10) no . . .
N2b Ni1 N3a C15a -136.1(9) no . . .
N2b Ni1 N3a C18b -177.2(8) no . . .
N3a Ni1 N2b N1a 169.4(4) no . . .
N3a Ni1 N2b C1a -113.0(16) no . . .
N3a Ni1 N2b C2a -13.2(16) no . . .
N3a Ni1 N2b C3b -22.2(13) no . . .
N3a Ni1 N2b C4b -141.6(6) no . . .
N3a Ni1 N2b C11a 127.6(8) no . . .
N3a Ni1 N2b C14b 94.7(13) no . . .
N2b Ni1 N3b N4a -140.0(8) no . . .
N2b Ni1 N3b C6b -106.2(9) no . . .
N2b Ni1 N3b C9a -65.7(12) no . . .
N2b Ni1 N3b C10 6.2(8) no . . .
N2b Ni1 N3b C15b 128.1(11) no . . .
N2b Ni1 N3b C18a 169.8(8) no . . .
N3b Ni1 N2b N1a -24.2(8) no . . .
N3b Ni1 N2b C1a 53.3(18) no . . .
N3b Ni1 N2b C2a 153.2(10) no . . .
N3b Ni1 N2b C3b 144.1(8) no . . .
N3b Ni1 N2b C4b 24.8(9) no . . .
N3b Ni1 N2b C11a -66.0(7) no . . .
N3b Ni1 N2b C14b -98.9(10) no . . .
N2b Ni1 N4a N3b 42.4(6) no . . .
N2b Ni1 N4a C6b -25.1(9) no . . .
N2b Ni1 N4a C7b -126.8(6) no . . .
N2b Ni1 N4a C8a -115.2(5) no . . .
N2b Ni1 N4a C9a -2.1(6) no . . .
N2b Ni1 N4a C15b 85.0(5) no . . .
N2b Ni1 N4a C18a 116.7(6) no . . .
N4a Ni1 N2b N1a -44.1(8) no . . .
N4a Ni1 N2b C1a 33.5(19) no . . .
N4a Ni1 N2b C2a 133.3(9) no . . .
N4a Ni1 N2b C3b 124.3(6) no . . .
N4a Ni1 N2b C4b 4.9(10) no . . .
N4a Ni1 N2b C11a -85.9(5) no . . .
N4a Ni1 N2b C14b -118.7(8) no . . .
N2b Ni1 N4b N3a -116.9(14) no . . .
N2b Ni1 N4b C6a -37(3) no . . .
N2b Ni1 N4b C7a 57(2) no . . .
N2b Ni1 N4b C8b 45.6(19) no . . .
N2b Ni1 N4b C9b -69.5(17) no . . .
N2b Ni1 N4b C15a -160.0(12) no . . .
N2b Ni1 N4b C18b 165.0(12) no . . .
N4b Ni1 N2b N1a -117.2(15) no . . .
N4b Ni1 N2b C1a -40(3) no . . .
N4b Ni1 N2b C2a 60.2(19) no . . .
N4b Ni1 N2b C3b 51.2(18) no . . .
N4b Ni1 N2b C4b -68.2(19) no . . .
N4b Ni1 N2b C11a -159.0(12) no . . .
N4b Ni1 N2b C14b 168.1(10) no . . .
N3a Ni1 N3b N4a 33.0(9) no . . .
N3a Ni1 N3b C6b 66.8(9) no . . .
N3a Ni1 N3b C9a 107.3(10) no . . .
N3a Ni1 N3b C10 179.2(6) no . . .
N3a Ni1 N3b C15b -58.9(12) no . . .
N3a Ni1 N3b C18a -17.2(10) no . . .
N3b Ni1 N3a N4b -32.7(7) no . . .
N3b Ni1 N3a C5 -179.7(6) no . . .
N3b Ni1 N3a C6a -64.2(6) no . . .
N3b Ni1 N3a C9b -97.7(7) no . . .
N3b Ni1 N3a C15a 59.7(6) no . . .
N3b Ni1 N3a C18b 18.6(6) no . . .
N3a Ni1 N4a N3b -151.9(3) no . . .
N3a Ni1 N4a C6b 140.6(7) no . . .
N3a Ni1 N4a C7b 39.0(5) no . . .
N3a Ni1 N4a C8a 50.5(4) no . . .
N3a Ni1 N4a C9a 163.6(4) no . . .
N3a Ni1 N4a C15b -109.3(3) no . . .
N3a Ni1 N4a C18a -77.5(4) no . . .
N4a Ni1 N3a N4b -16.8(4) no . . .
N4a Ni1 N3a C5 -163.8(3) no . . .
N4a Ni1 N3a C6a -48.3(4) no . . .
N4a Ni1 N3a C9b -81.8(5) no . . .
N4a Ni1 N3a C15a 75.6(4) no . . .
N4a Ni1 N3a C18b 34.5(3) no . . .
N3a Ni1 N4b N3a -0.0(4) no . . .
N3a Ni1 N4b C6a 79.9(14) no . . .
N3a Ni1 N4b C7a 174.0(16) no . . .
N3a Ni1 N4b C8b 162.5(14) no . . .
N3a Ni1 N4b C9b 47.5(7) no . . .
N3a Ni1 N4b C15a -43.0(5) no . . .
N3a Ni1 N4b C18b -78.0(8) no . . .
N4b Ni1 N3a N4b -0.0(8) no . . .
N4b Ni1 N3a C5 -147.1(10) no . . .
N4b Ni1 N3a C6a -31.5(8) no . . .
N4b Ni1 N3a C9b -65.0(8) no . . .
N4b Ni1 N3a C15a 92.3(9) no . . .
N4b Ni1 N3a C18b 51.3(8) no . . .
N3b Ni1 N4a N3b 0.0(8) no . . .
N3b Ni1 N4a C6b -67.5(10) no . . .
N3b Ni1 N4a C7b -169.2(10) no . . .
N3b Ni1 N4a C8a -157.6(9) no . . .
N3b Ni1 N4a C9a -44.5(8) no . . .
N3b Ni1 N4a C15b 42.6(8) no . . .
N3b Ni1 N4a C18a 74.3(9) no . . .
N4a Ni1 N3b N4a 0.0(3) no . . .
N4a Ni1 N3b C6b 33.8(6) no . . .
N4a Ni1 N3b C9a 74.3(12) no . . .
N4a Ni1 N3b C10 146.2(14) no . . .
N4a Ni1 N3b C15b -91.9(12) no . . .
N4a Ni1 N3b C18a -50.2(7) no . . .
N3b Ni1 N4b N3a 152.1(8) no . . .
N3b Ni1 N4b C6a -128.0(12) no . . .
N3b Ni1 N4b C7a -33.9(11) no . . .
N3b Ni1 N4b C8b -45.4(9) no . . .
N3b Ni1 N4b C9b -160.4(7) no . . .
N3b Ni1 N4b C15a 109.1(7) no . . .
N3b Ni1 N4b C18b 74.1(8) no . . .
N4b Ni1 N3b N4a 18.0(8) no . . .
N4b Ni1 N3b C6b 51.7(9) no . . .
N4b Ni1 N3b C9a 92.2(11) no . . .
N4b Ni1 N3b C10 164.1(8) no . . .
N4b Ni1 N3b C15b -74.0(11) no . . .
N4b Ni1 N3b C18a -32.2(8) no . . .
N4a Ni1 N4b N3a 161.8(8) no . . .
N4a Ni1 N4b C6a -118.3(12) no . . .
N4a Ni1 N4b C7a -24.2(9) no . . .
N4a Ni1 N4b C8b -35.7(6) no . . .
N4a Ni1 N4b C9b -150.7(7) no . . .
N4a Ni1 N4b C15a 118.8(6) no . . .
N4a Ni1 N4b C18b 83.7(8) no . . .
N4b Ni1 N4a N3b -160.5(5) no . . .
N4b Ni1 N4a C6b 132.0(8) no . . .
N4b Ni1 N4a C7b 30.3(5) no . . .
N4b Ni1 N4a C8a 41.9(5) no . . .
N4b Ni1 N4a C9a 155.0(5) no . . .
N4b Ni1 N4a C15b -117.9(4) no . . .
N4b Ni1 N4a C18a -86.2(5) no . . .
C12a S1 C12b C11b -179.5(9) no . 2_655 2_655
C12b S1 C12a C11a -179.2(7) no 2_655 . .
C13a S1 C12a C11a 66.1(7) no . . .
C13b S1 C12a C11a -67.3(9) no . . .
C13a S1 C12b C11b -63.5(14) no . 2_655 2_655
C13b S1 C12b C11b 67.6(14) no . 2_655 2_655
C16a S2 C16b C15b -177.1(9) no . 2_655 2_655
C16b S2 C16a C15a -178.6(7) no 2_655 . .
C17a S2 C16a C15a 65.0(9) no . . .
C17b S2 C16a C15a -66.3(9) no . . .
C17a S2 C16b C15b -61.8(13) no . 2_655 2_655
C17b S2 C16b C15b 71.2(14) no . 2_655 2_655
O1 S3 O3a F3b 114.2(4) no . . .
O1 S3 O3a C19b 113.7(2) no . . .
O1 S3 O3b F3a -118.5(8) no . . .
O1 S3 O3b C19a -117.9(4) no . . .
O1 S3 C19a F1 -53.2(6) no . . .
O1 S3 C19a F2 -166.4(4) no . . .
O1 S3 C19a F3a 69.8(5) no . . .
O1 S3 C19a O3b 69.2(3) no . . .
O1 S3 C19a C19b -109.5(4) no . . .
O1 S3 C19b F1 33.8(15) no . . .
O1 S3 C19b F2 138.8(8) no . . .
O1 S3 C19b F3b -93.8(9) no . . .
O1 S3 C19b O3a -93.3(5) no . . .
O1 S3 C19b C19a 87.1(9) no . . .
O2 S3 O3a F3b -113.0(4) no . . .
O2 S3 O3a C19b -113.4(3) no . . .
O2 S3 O3b F3a 115.7(9) no . . .
O2 S3 O3b C19a 116.3(4) no . . .
O2 S3 C19a F1 167.0(5) no . . .
O2 S3 C19a F2 53.9(6) no . . .
O2 S3 C19a F3a -69.9(6) no . . .
O2 S3 C19a O3b -70.5(3) no . . .
O2 S3 C19a C19b 110.8(4) no . . .
O2 S3 C19b F1 -138.7(9) no . . .
O2 S3 C19b F2 -33.7(14) no . . .
O2 S3 C19b F3b 93.7(10) no . . .
O2 S3 C19b O3a 94.1(5) no . . .
O2 S3 C19b C19a -85.4(8) no . . .
O3a S3 O3b F3a -2.8(19) no . . .
O3a S3 O3b C19a -2.2(14) no . . .
O3b S3 O3a F3b 2.0(14) no . . .
O3b S3 O3a C19b 1.6(13) no . . .
O3a S3 C19a F1 56.7(6) no . . .
O3a S3 C19a F2 -56.4(5) no . . .
O3a S3 C19a F3a 179.8(5) no . . .
O3a S3 C19a O3b 179.2(3) no . . .
O3a S3 C19a C19b 0.4(5) no . . .
C19a S3 O3a F3b 0.1(5) no . . .
C19a S3 O3a C19b -0.3(3) no . . .
O3a S3 C19b F1 127.2(13) no . . .
O3a S3 C19b F2 -127.8(12) no . . .
O3a S3 C19b F3b -0.4(7) no . . .
O3a S3 C19b O3a 0.0(2) no . . .
O3a S3 C19b C19a -179.5(10) no . . .
C19b S3 O3a F3b 0.4(7) no . . .
C19b S3 O3a C19b 0.0(6) no . . .
O3b S3 C19a F1 -122.5(8) no . . .
O3b S3 C19a F2 124.4(7) no . . .
O3b S3 C19a F3a 0.6(6) no . . .
O3b S3 C19a O3b -0.0(5) no . . .
O3b S3 C19a C19b -178.7(7) no . . .
C19a S3 O3b F3a -0.6(6) no . . .
C19a S3 O3b C19a 0.0(3) no . . .
O3b S3 C19b F1 -52.3(12) no . . .
O3b S3 C19b F2 52.7(11) no . . .
O3b S3 C19b F3b -179.8(9) no . . .
O3b S3 C19b O3a -179.4(5) no . . .
O3b S3 C19b C19a 1.1(9) no . . .
C19b S3 O3b F3a -1.4(10) no . . .
C19b S3 O3b C19a -0.8(6) no . . .
C19a S3 C19b F1 -53.3(10) no . . .
C19a S3 C19b F2 51.7(10) no . . .
C19a S3 C19b F3b 179.1(16) no . . .
C19a S3 C19b O3a 179.5(11) no . . .
C19a S3 C19b C19a -0.0(4) no . . .
C19b S3 C19a F1 56.3(10) no . . .
C19b S3 C19a F2 -56.9(10) no . . .
C19b S3 C19a F3a 179.3(12) no . . .
C19b S3 C19a O3b 178.7(10) no . . .
C19b S3 C19a C19b 0.0(9) no . . .
C19a F1 C19b S3 57.9(10) no . . .
C19a F1 C19b F2 -56.6(10) no . . .
C19a F1 C19b F3b 175(3) no . . .
C19a F1 C19b O3a 116(2) no . . .
C19a F1 C19b C19a -0.0(5) no . . .
C19b F1 C19a S3 -56.9(11) no . . .
C19b F1 C19a F2 63.0(11) no . . .
C19b F1 C19a F3a -178.9(14) no . . .
C19b F1 C19a O3b -126.2(14) no . . .
C19b F1 C19a C19b -0.0(11) no . . .
C19a F2 C19b S3 -57.0(10) no . . .
C19a F2 C19b F1 57.6(9) no . . .
C19a F2 C19b F3b -173.4(16) no . . .
C19a F2 C19b O3a -115.2(19) no . . .
C19a F2 C19b C19a 0.0(4) no . . .
C19b F2 C19a S3 56.8(8) no . . .
C19b F2 C19a F1 -62.2(8) no . . .
C19b F2 C19a F3a 179.7(10) no . . .
C19b F2 C19a O3b 127.4(11) no . . .
C19b F2 C19a C19b 0.0(8) no . . .
O3b F3a C19a S3 -0.7(7) no . . .
O3b F3a C19a F1 122.5(8) no . . .
O3b F3a C19a F2 -125.4(7) no . . .
O3b F3a C19a O3b 0.0(6) no . . .
C19a F3a O3b S3 0.7(8) no . . .
C19a F3a O3b C19a 0.0(4) no . . .
O3a F3b C19b S3 0.5(10) no . . .
O3a F3b C19b F1 -121.1(15) no . . .
O3a F3b C19b F2 121.8(11) no . . .
O3a F3b C19b O3a 0.0(3) no . . .
C19b F3b O3a S3 -0.5(11) no . . .
C19b F3b O3a C19b -0.0(8) no . . .
S3 O3a C19b S3 0.00(7) no . . .
S3 O3a C19b F1 -85.5(17) no . . .
S3 O3a C19b F2 84.9(16) no . . .
S3 O3a C19b F3b 179.4(9) no . . .
S3 O3a C19b C19a 0.6(12) no . . .
F3b O3a C19b S3 -179.4(12) no . . .
F3b O3a C19b F1 95.0(18) no . . .
F3b O3a C19b F2 -95(2) no . . .
F3b O3a C19b F3b 0.0(8) no . . .
F3b O3a C19b C19a -179(2) no . . .
S3 O3b C19a S3 0.00(6) no . . .
S3 O3b C19a F1 95.6(8) no . . .
S3 O3b C19a F2 -96.3(8) no . . .
S3 O3b C19a F3a -179.2(7) no . . .
S3 O3b C19a C19b 1.6(9) no . . .
F3a O3b C19a S3 179.2(8) no . . .
F3a O3b C19a F1 -85.2(9) no . . .
F3a O3b C19a F2 82.9(9) no . . .
F3a O3b C19a F3a 0.0(4) no . . .
F3a O3b C19a C19b -179.2(10) no . . .
Ni1 N1a N2b Ni1 0.000(14) no . . .
Ni1 N1a N2b C1a -138.2(9) no . . .
Ni1 N1a N2b C2a -176(3) no . . .
Ni1 N1a N2b C4b -119.7(5) no . . .
Ni1 N1a N2b C11a 116.8(4) no . . .
Ni1 N1a N2b C14b 118.3(5) no . . .
Ni1 N1a C1a N2b 41.9(4) no . . .
Ni1 N1a C1a C2a 63.9(6) no . . .
Ni1 N1a C1a C3b 41.6(6) no . . .
Ni1 N1a C1a C4b -105.6(6) no . . .
Ni1 N1a C4b N2b 64.6(8) no . . .
Ni1 N1a C4b C1a 88.2(17) no . . .
Ni1 N1a C4b C10 -98.8(7) no . . .
Ni1 N1a C10 N3b -8.8(4) no . . .
Ni1 N1a C10 C4b 110.4(4) no . . .
Ni1 N1a C10 C9a 33.6(5) no . . .
Ni1 N1a C11a N2b -76.3(5) no . . .
Ni1 N1a C11a C12a 38.1(7) no . . .
Ni1 N1a C11a C14b -78.4(5) no . . .
Ni1 N1a C14b N2b -60.2(5) no . . .
Ni1 N1a C14b C11a 117.5(6) no . . .
N2b N1a C1a N2b -0.0(11) no . . .
N2b N1a C1a C2a 22.0(11) no . . .
N2b N1a C1a C3b -0.2(11) no . . .
N2b N1a C1a C4b -147.5(14) no . . .
C1a N1a N2b Ni1 138.2(10) no . . .
C1a N1a N2b C1a -0.0(5) no . . .
C1a N1a N2b C2a -38.1(16) no . . .
C1a N1a N2b C4b 18.5(8) no . . .
C1a N1a N2b C11a -104.9(9) no . . .
C1a N1a N2b C14b -103.4(10) no . . .
N2b N1a C4b N2b 0.0(8) no . . .
N2b N1a C4b C1a 23.6(16) no . . .
N2b N1a C4b C10 -163.4(11) no . . .
C4b N1a N2b Ni1 119.7(13) no . . .
C4b N1a N2b C1a -18.5(13) no . . .
C4b N1a N2b C2a -57(3) no . . .
C4b N1a N2b C4b 0.0(12) no . . .
C4b N1a N2b C11a -123.5(13) no . . .
C4b N1a N2b C14b -122.0(13) no . . .
N2b N1a C10 N3b -89.3(17) no . . .
N2b N1a C10 C4b 29.8(16) no . . .
N2b N1a C10 C9a -47.0(18) no . . .
C10 N1a N2b Ni1 90.9(15) no . . .
C10 N1a N2b C1a -47(2) no . . .
C10 N1a N2b C2a -86(3) no . . .
C10 N1a N2b C4b -28.8(15) no . . .
C10 N1a N2b C11a -152.3(18) no . . .
C10 N1a N2b C14b -150.8(13) no . . .
N2b N1a C11a N2b 0.0(8) no . . .
N2b N1a C11a C12a 114.4(9) no . . .
N2b N1a C11a C14b -2.1(9) no . . .
C11a N1a N2b Ni1 -116.8(5) no . . .
C11a N1a N2b C1a 104.9(8) no . . .
C11a N1a N2b C2a 67(2) no . . .
C11a N1a N2b C4b 123.5(6) no . . .
C11a N1a N2b C11a 0.0(3) no . . .
C11a N1a N2b C14b 1.5(7) no . . .
N2b N1a C14b N2b 0.0(9) no . . .
N2b N1a C14b C11a 177.7(12) no . . .
C14b N1a N2b Ni1 -118.3(8) no . . .
C14b N1a N2b C1a 103.4(11) no . . .
C14b N1a N2b C2a 65(2) no . . .
C14b N1a N2b C4b 122.0(8) no . . .
C14b N1a N2b C11a -1.5(8) no . . .
C14b N1a N2b C14b 0.0(6) no . . .
C1a N1a C4b N2b -23.6(15) no . . .
C1a N1a C4b C1a 0.0(6) no . . .
C1a N1a C4b C10 173(2) no . . .
C4b N1a C1a N2b 148(2) no . . .
C4b N1a C1a C2a 170(2) no . . .
C4b N1a C1a C3b 147(2) no . . .
C4b N1a C1a C4b 0.0(19) no . . .
C1a N1a C10 N3b -123.4(6) no . . .
C1a N1a C10 C4b -4.2(4) no . . .
C1a N1a C10 C9a -81.0(6) no . . .
C10 N1a C1a N2b 154.4(7) no . . .
C10 N1a C1a C2a 176.5(6) no . . .
C10 N1a C1a C3b 154.2(5) no . . .
C10 N1a C1a C4b 6.9(7) no . . .
C1a N1a C11a N2b 48.2(5) no . . .
C1a N1a C11a C12a 162.6(6) no . . .
C1a N1a C11a C14b 46.1(6) no . . .
C11a N1a C1a N2b -88.8(6) no . . .
C11a N1a C1a C2a -66.7(8) no . . .
C11a N1a C1a C3b -89.0(7) no . . .
C11a N1a C1a C4b 123.7(7) no . . .
C1a N1a C14b N2b 46.0(5) no . . .
C1a N1a C14b C11a -136.3(8) no . . .
C14b N1a C1a N2b -60.7(7) no . . .
C14b N1a C1a C2a -38.6(8) no . . .
C14b N1a C1a C3b -60.9(8) no . . .
C14b N1a C1a C4b 151.8(9) no . . .
C4b N1a C10 N3b -119.2(12) no . . .
C4b N1a C10 C4b -0.0(12) no . . .
C4b N1a C10 C9a -76.8(12) no . . .
C10 N1a C4b N2b 163.4(8) no . . .
C10 N1a C4b C1a -173.0(19) no . . .
C10 N1a C4b C10 0.0(3) no . . .
C4b N1a C11a N2b 84.1(15) no . . .
C4b N1a C11a C12a -161.5(14) no . . .
C4b N1a C11a C14b 82.0(15) no . . .
C11a N1a C4b N2b -96.7(10) no . . .
C11a N1a C4b C1a -73.2(19) no . . .
C11a N1a C4b C10 99.9(11) no . . .
C4b N1a C14b N2b 63.1(13) no . . .
C4b N1a C14b C11a -119.2(13) no . . .
C14b N1a C4b N2b -53.5(10) no . . .
C14b N1a C4b C1a -30(2) no . . .
C14b N1a C4b C10 143.1(9) no . . .
C10 N1a C11a N2b 164.1(7) no . . .
C10 N1a C11a C12a -81.5(6) no . . .
C10 N1a C11a C14b 162.0(5) no . . .
C11a N1a C10 N3b 119.3(5) no . . .
C11a N1a C10 C4b -121.6(6) no . . .
C11a N1a C10 C9a 161.6(4) no . . .
C10 N1a C14b N2b 151.3(10) no . . .
C10 N1a C14b C11a -31.0(13) no . . .
C14b N1a C10 N3b 139.7(11) no . . .
C14b N1a C10 C4b -101.1(11) no . . .
C14b N1a C10 C9a -177.9(10) no . . .
C11a N1a C14b N2b -177.7(10) no . . .
C11a N1a C14b C11a -0.0(4) no . . .
C14b N1a C11a N2b 2.1(9) no . . .
C14b N1a C11a C12a 116.5(10) no . . .
C14b N1a C11a C14b -0.0(8) no . . .
Ni1 N1b N2a Ni1 -0.000(17) no . . .
Ni1 N1b N2a C1b 134.3(4) no . . .
Ni1 N1b N2a C2b 168.0(15) no . . .
Ni1 N1b N2a C3a 118(3) no . . .
Ni1 N1b N2a C4a 117.2(8) no . . .
Ni1 N1b N2a C11b -116.6(10) no . . .
Ni1 N1b N2a C14a -118.5(4) no . . .
Ni1 N1b C1b N2a -46.7(10) no . . .
Ni1 N1b C1b C2b -66.2(14) no . . .
Ni1 N1b C1b C3a -41.2(14) no . . .
Ni1 N1b C1b C4a 104.7(13) no . . .
Ni1 N1b C4a N2a -69.3(9) no . . .
Ni1 N1b C4a C1b -91.3(10) no . . .
Ni1 N1b C4a C5 94.1(9) no . . .
Ni1 N1b C5 N3a 7.2(6) no . . .
Ni1 N1b C5 C4a -111.4(8) no . . .
Ni1 N1b C5 C9b -31.7(8) no . . .
Ni1 N1b C11b N2a 77.0(13) no . . .
Ni1 N1b C11b C12b -38.1(16) no . . .
Ni1 N1b C11b C14a 79.5(12) no . . .
Ni1 N1b C14a N2a 60.5(7) no . . .
Ni1 N1b C14a C11b -116.7(8) no . . .
N2a N1b C1b N2a -0.0(4) no . . .
N2a N1b C1b C2b -19.5(10) no . . .
N2a N1b C1b C3a 5.6(9) no . . .
N2a N1b C1b C4a 151.4(17) no . . .
C1b N1b N2a Ni1 -134.3(10) no . . .
C1b N1b N2a C1b 0.0(9) no . . .
C1b N1b N2a C2b 33.7(18) no . . .
C1b N1b N2a C3a -16(3) no . . .
C1b N1b N2a C4a -17.1(11) no . . .
C1b N1b N2a C11b 109.1(13) no . . .
C1b N1b N2a C14a 107.2(10) no . . .
N2a N1b C4a N2a 0.0(3) no . . .
N2a N1b C4a C1b -22.0(9) no . . .
N2a N1b C4a C5 163.4(11) no . . .
C4a N1b N2a Ni1 -117.2(9) no . . .
C4a N1b N2a C1b 17.1(7) no . . .
C4a N1b N2a C2b 50.8(19) no . . .
C4a N1b N2a C3a 1(3) no . . .
C4a N1b N2a C4a 0.0(4) no . . .
C4a N1b N2a C11b 126.2(15) no . . .
C4a N1b N2a C14a 124.3(9) no . . .
N2a N1b C5 N3a 86(3) no . . .
N2a N1b C5 C4a -33(3) no . . .
N2a N1b C5 C9b 47(3) no . . .
C5 N1b N2a Ni1 -87(3) no . . .
C5 N1b N2a C1b 47(3) no . . .
C5 N1b N2a C2b 81(3) no . . .
C5 N1b N2a C3a 31(5) no . . .
C5 N1b N2a C4a 30(3) no . . .
C5 N1b N2a C11b 156(4) no . . .
C5 N1b N2a C14a 154(3) no . . .
N2a N1b C11b N2a -0.0(4) no . . .
N2a N1b C11b C12b -115.0(14) no . . .
N2a N1b C11b C14a 2.5(14) no . . .
C11b N1b N2a Ni1 116.6(12) no . . .
C11b N1b N2a C1b -109.1(12) no . . .
C11b N1b N2a C2b -75(2) no . . .
C11b N1b N2a C3a -125(3) no . . .
C11b N1b N2a C4a -126.2(16) no . . .
C11b N1b N2a C11b -0.0(7) no . . .
C11b N1b N2a C14a -1.9(11) no . . .
N2a N1b C14a N2a -0.0(5) no . . .
N2a N1b C14a C11b -177.2(13) no . . .
C14a N1b N2a Ni1 118.5(6) no . . .
C14a N1b N2a C1b -107.2(6) no . . .
C14a N1b N2a C2b -73.5(16) no . . .
C14a N1b N2a C3a -124(3) no . . .
C14a N1b N2a C4a -124.3(9) no . . .
C14a N1b N2a C11b 1.9(9) no . . .
C14a N1b N2a C14a 0.0(4) no . . .
C1b N1b C4a N2a 22.0(15) no . . .
C1b N1b C4a C1b 0.0(12) no . . .
C1b N1b C4a C5 -174.6(14) no . . .
C4a N1b C1b N2a -151.4(18) no . . .
C4a N1b C1b C2b -171(2) no . . .
C4a N1b C1b C3a -145.8(18) no . . .
C4a N1b C1b C4a 0.0(6) no . . .
C1b N1b C5 N3a 122.0(11) no . . .
C1b N1b C5 C4a 3.4(8) no . . .
C1b N1b C5 C9b 83.0(12) no . . .
C5 N1b C1b N2a -156.5(13) no . . .
C5 N1b C1b C2b -176.0(10) no . . .
C5 N1b C1b C3a -150.9(10) no . . .
C5 N1b C1b C4a -5.1(12) no . . .
C1b N1b C11b N2a -52.7(12) no . . .
C1b N1b C11b C12b -167.7(14) no . . .
C1b N1b C11b C14a -50.1(16) no . . .
C11b N1b C1b N2a 87.3(15) no . . .
C11b N1b C1b C2b 67.8(18) no . . .
C11b N1b C1b C3a 92.9(15) no . . .
C11b N1b C1b C4a -121.3(17) no . . .
C1b N1b C14a N2a -48.5(9) no . . .
C1b N1b C14a C11b 134.3(13) no . . .
C14a N1b C1b N2a 56.9(8) no . . .
C14a N1b C1b C2b 37.4(12) no . . .
C14a N1b C1b C3a 62.5(11) no . . .
C14a N1b C1b C4a -151.7(14) no . . .
C4a N1b C5 N3a 118.5(8) no . . .
C4a N1b C5 C4a -0.0(4) no . . .
C4a N1b C5 C9b 79.6(9) no . . .
C5 N1b C4a N2a -163.4(11) no . . .
C5 N1b C4a C1b 174.6(8) no . . .
C5 N1b C4a C5 0.0(2) no . . .
C4a N1b C11b N2a -93.2(18) no . . .
C4a N1b C11b C12b 151.7(14) no . . .
C4a N1b C11b C14a -90.7(17) no . . .
C11b N1b C4a N2a 101.3(18) no . . .
C11b N1b C4a C1b 79.3(16) no . . .
C11b N1b C4a C5 -95.3(15) no . . .
C4a N1b C14a N2a -67.6(10) no . . .
C4a N1b C14a C11b 115.3(14) no . . .
C14a N1b C4a N2a 54.0(9) no . . .
C14a N1b C4a C1b 32.0(11) no . . .
C14a N1b C4a C5 -142.6(12) no . . .
C5 N1b C11b N2a -167(2) no . . .
C5 N1b C11b C12b 77.9(15) no . . .
C5 N1b C11b C14a -164.5(12) no . . .
C11b N1b C5 N3a -118.8(12) no . . .
C11b N1b C5 C4a 122.7(15) no . . .
C11b N1b C5 C9b -157.7(10) no . . .
C5 N1b C14a N2a -156(3) no . . .
C5 N1b C14a C11b 27.1(19) no . . .
C14a N1b C5 N3a -137(2) no . . .
C14a N1b C5 C4a 104(3) no . . .
C14a N1b C5 C9b -175.9(18) no . . .
C11b N1b C14a N2a 177.2(16) no . . .
C11b N1b C14a C11b 0.0(11) no . . .
C14a N1b C11b N2a -2.5(15) no . . .
C14a N1b C11b C12b -117.6(17) no . . .
C14a N1b C11b C14a -0.0(5) no . . .
Ni1 N2a C1b N1b 67.2(8) no . . .
Ni1 N2a C1b C2b -131.8(8) no . . .
Ni1 N2a C1b C3a -106.8(8) no . . .
Ni1 N2a C1b C4a 44.0(17) no . . .
Ni1 N2a C2b C1b 127.8(10) no . . .
Ni1 N2a C2b C2a -25.9(17) no . . .
Ni1 N2a C2b C3a 25(3) no . . .
Ni1 N2a C2b C3b -10.6(18) no . . .
Ni1 N2a C3a C1b 128.8(5) no . . .
Ni1 N2a C3a C2a -61.4(7) no . . .
Ni1 N2a C3a C2b -161.0(8) no . . .
Ni1 N2a C3a C3b -45.2(8) no . . .
Ni1 N2a C4a N1b 63.1(4) no . . .
Ni1 N2a C4a C1b -147.3(5) no . . .
Ni1 N2a C4a C5 46.7(5) no . . .
Ni1 N2a C11b N1b -63.0(6) no . . .
Ni1 N2a C11b C12b 17.8(13) no . . .
Ni1 N2a C11b C14a 120.3(8) no . . .
Ni1 N2a C14a N1b -72.6(4) no . . .
Ni1 N2a C14a C11b -70.1(7) no . . .
N1b N2a C1b N1b -0.0(8) no . . .
N1b N2a C1b C2b 161.1(10) no . . .
N1b N2a C1b C3a -173.9(10) no . . .
N1b N2a C1b C4a -23.2(13) no . . .
N1b N2a C2b C1b -36(3) no . . .
N1b N2a C2b C2a 170.6(18) no . . .
N1b N2a C2b C3a -138(3) no . . .
N1b N2a C2b C3b -174.1(18) no . . .
N1b N2a C3a C1b 17(3) no . . .
N1b N2a C3a C2a -174(3) no . . .
N1b N2a C3a C2b 87(3) no . . .
N1b N2a C3a C3b -157(3) no . . .
N1b N2a C4a N1b 0.0(11) no . . .
N1b N2a C4a C1b 149.6(13) no . . .
N1b N2a C4a C5 -16.4(11) no . . .
N1b N2a C11b N1b -0.0(13) no . . .
N1b N2a C11b C12b 80.9(18) no . . .
N1b N2a C11b C14a -176.6(19) no . . .
N1b N2a C14a N1b 0.0(10) no . . .
N1b N2a C14a C11b 2.5(12) no . . .
C1b N2a C2b C1b 0.0(9) no . . .
C1b N2a C2b C2a -153.7(14) no . . .
C1b N2a C2b C3a -103(3) no . . .
C1b N2a C2b C3b -138.3(14) no . . .
C2b N2a C1b N1b -161.1(10) no . . .
C2b N2a C1b C2b 0.0(8) no . . .
C2b N2a C1b C3a 25.0(8) no . . .
C2b N2a C1b C4a 175.7(16) no . . .
C1b N2a C3a C1b -0.0(9) no . . .
C1b N2a C3a C2a 169.8(11) no . . .
C1b N2a C3a C2b 70.2(13) no . . .
C1b N2a C3a C3b -174.0(12) no . . .
C3a N2a C1b N1b 173.9(6) no . . .
C3a N2a C1b C2b -25.0(4) no . . .
C3a N2a C1b C3a 0.0(3) no . . .
C3a N2a C1b C4a 150.8(14) no . . .
C1b N2a C4a N1b -149.6(16) no . . .
C1b N2a C4a C1b -0.0(14) no . . .
C1b N2a C4a C5 -166.0(16) no . . .
C4a N2a C1b N1b 23.2(12) no . . .
C4a N2a C1b C2b -175.7(15) no . . .
C4a N2a C1b C3a -150.8(14) no . . .
C4a N2a C1b C4a 0.0(5) no . . .
C1b N2a C11b N1b 71.2(12) no . . .
C1b N2a C11b C12b 152.1(15) no . . .
C1b N2a C11b C14a -105.5(13) no . . .
C11b N2a C1b N1b -45.0(6) no . . .
C11b N2a C1b C2b 116.1(7) no . . .
C11b N2a C1b C3a 141.0(7) no . . .
C11b N2a C1b C4a -68.2(14) no . . .
C1b N2a C14a N1b 79.4(11) no . . .
C1b N2a C14a C11b 81.9(11) no . . .
C14a N2a C1b N1b -79.0(6) no . . .
C14a N2a C1b C2b 82.1(6) no . . .
C14a N2a C1b C3a 107.0(5) no . . .
C14a N2a C1b C4a -102.2(12) no . . .
C2b N2a C3a C1b -70(3) no . . .
C2b N2a C3a C2a 100(3) no . . .
C2b N2a C3a C2b 0(3) no . . .
C2b N2a C3a C3b 116(3) no . . .
C3a N2a C2b C1b 103(3) no . . .
C3a N2a C2b C2a -51.0(19) no . . .
C3a N2a C2b C3a 0.0(10) no . . .
C3a N2a C2b C3b -35.6(17) no . . .
C2b N2a C4a N1b -153.8(9) no . . .
C2b N2a C4a C1b -4.2(9) no . . .
C2b N2a C4a C5 -170.2(9) no . . .
C4a N2a C2b C1b 2.5(6) no . . .
C4a N2a C2b C2a -151.1(8) no . . .
C4a N2a C2b C3a -100(2) no . . .
C4a N2a C2b C3b -135.8(9) no . . .
C2b N2a C11b N1b 143.2(13) no . . .
C2b N2a C11b C12b -135.9(15) no . . .
C2b N2a C11b C14a -33.4(15) no . . .
C11b N2a C2b C1b -89.5(9) no . . .
C11b N2a C2b C2a 116.8(10) no . . .
C11b N2a C2b C3a 167.8(17) no . . .
C11b N2a C2b C3b 132.2(9) no . . .
C2b N2a C14a N1b 148.2(11) no . . .
C2b N2a C14a C11b 150.7(11) no . . .
C14a N2a C2b C1b -107.4(6) no . . .
C14a N2a C2b C2a 98.9(9) no . . .
C14a N2a C2b C3a 150(2) no . . .
C14a N2a C2b C3b 114.2(10) no . . .
C3a N2a C4a N1b -179.7(6) no . . .
C3a N2a C4a C1b -30.1(6) no . . .
C3a N2a C4a C5 163.9(5) no . . .
C4a N2a C3a C1b 17.2(4) no . . .
C4a N2a C3a C2a -173.0(6) no . . .
C4a N2a C3a C2b 87.4(10) no . . .
C4a N2a C3a C3b -156.8(7) no . . .
C3a N2a C11b N1b 151.5(13) no . . .
C3a N2a C11b C12b -127.7(13) no . . .
C3a N2a C11b C14a -25.2(17) no . . .
C11b N2a C3a C1b -87.7(12) no . . .
C11b N2a C3a C2a 82.0(14) no . . .
C11b N2a C3a C2b -17.6(18) no . . .
C11b N2a C3a C3b 98.2(13) no . . .
C3a N2a C14a N1b 161.2(9) no . . .
C3a N2a C14a C11b 163.7(7) no . . .
C14a N2a C3a C1b -102.3(6) no . . .
C14a N2a C3a C2a 67.4(8) no . . .
C14a N2a C3a C2b -32.2(12) no . . .
C14a N2a C3a C3b 83.6(9) no . . .
C4a N2a C11b N1b 38.7(6) no . . .
C4a N2a C11b C12b 119.5(13) no . . .
C4a N2a C11b C14a -138.0(10) no . . .
C11b N2a C4a N1b -36.8(6) no . . .
C11b N2a C4a C1b 112.8(7) no . . .
C11b N2a C4a C5 -53.3(7) no . . .
C4a N2a C14a N1b 42.6(5) no . . .
C4a N2a C14a C11b 45.1(8) no . . .
C14a N2a C4a N1b -60.2(6) no . . .
C14a N2a C4a C1b 89.4(6) no . . .
C14a N2a C4a C5 -76.7(7) no . . .
C11b N2a C14a N1b -2.5(11) no . . .
C11b N2a C14a C11b -0.0(10) no . . .
C14a N2a C11b N1b 176.6(15) no . . .
C14a N2a C11b C12b -102.5(17) no . . .
C14a N2a C11b C14a -0.0(6) no . . .
Ni1 N2b C1a N1a -73.4(15) no . . .
Ni1 N2b C1a C2a 127.5(18) no . . .
Ni1 N2b C1a C3b 106.4(18) no . . .
Ni1 N2b C1a C4b -48.0(19) no . . .
Ni1 N2b C2a C1a -132.5(14) no . . .
Ni1 N2b C2a C2b 16.5(13) no . . .
Ni1 N2b C2a C3a -1.1(12) no . . .
Ni1 N2b C2a C3b -23.2(15) no . . .
Ni1 N2b C3b C1a -134.9(11) no . . .
Ni1 N2b C3b C2a 161.8(15) no . . .
Ni1 N2b C3b C2b 47(2) no . . .
Ni1 N2b C3b C3a 19(2) no . . .
Ni1 N2b C4b N1a -63.2(10) no . . .
Ni1 N2b C4b C1a 148.0(15) no . . .
Ni1 N2b C4b C10 -47.9(16) no . . .
Ni1 N2b C11a N1a 63.2(6) no . . .
Ni1 N2b C11a C12a -17.0(9) no . . .
Ni1 N2b C11a C14b -119.5(8) no . . .
Ni1 N2b C14b N1a 73.2(9) no . . .
Ni1 N2b C14b C11a 71.2(12) no . . .
N1a N2b C1a N1a -0.0(4) no . . .
N1a N2b C1a C2a -159.1(11) no . . .
N1a N2b C1a C3b 179.8(12) no . . .
N1a N2b C1a C4b 25.4(11) no . . .
N1a N2b C2a C1a 42.7(19) no . . .
N1a N2b C2a C2b -168(2) no . . .
N1a N2b C2a C3a 174(2) no . . .
N1a N2b C2a C3b 152(3) no . . .
N1a N2b C4b N1a 0.0(4) no . . .
N1a N2b C4b C1a -149(2) no . . .
N1a N2b C4b C10 15.2(10) no . . .
N1a N2b C11a N1a -0.0(4) no . . .
N1a N2b C11a C12a -80.2(10) no . . .
N1a N2b C11a C14b 177.3(12) no . . .
N1a N2b C14b N1a 0.0(3) no . . .
N1a N2b C14b C11a -2.0(11) no . . .
C1a N2b C2a C1a -0.0(5) no . . .
C1a N2b C2a C2b 149.0(10) no . . .
C1a N2b C2a C3a 131.4(10) no . . .
C1a N2b C2a C3b 109.3(13) no . . .
C2a N2b C1a N1a 159.1(12) no . . .
C2a N2b C1a C2a 0.0(6) no . . .
C2a N2b C1a C3b -21.2(6) no . . .
C2a N2b C1a C4b -175.5(10) no . . .
C1a N2b C3b C1a 0.0(5) no . . .
C1a N2b C3b C2a -63.4(17) no . . .
C1a N2b C3b C2b -178.0(19) no . . .
C1a N2b C3b C3a 154.3(19) no . . .
C3b N2b C1a N1a -179.8(14) no . . .
C3b N2b C1a C2a 21.2(9) no . . .
C3b N2b C1a C3b -0.0(9) no . . .
C3b N2b C1a C4b -154.3(12) no . . .
C1a N2b C4b N1a 149(3) no . . .
C1a N2b C4b C1a 0.0(8) no . . .
C1a N2b C4b C10 164(3) no . . .
C4b N2b C1a N1a -25.4(18) no . . .
C4b N2b C1a C2a 175.5(17) no . . .
C4b N2b C1a C3b 154.3(17) no . . .
C4b N2b C1a C4b 0.0(15) no . . .
C1a N2b C11a N1a -79.6(11) no . . .
C1a N2b C11a C12a -159.8(8) no . . .
C1a N2b C11a C14b 97.8(10) no . . .
C11a N2b C1a N1a 46.1(7) no . . .
C11a N2b C1a C2a -113.0(7) no . . .
C11a N2b C1a C3b -134.1(8) no . . .
C11a N2b C1a C4b 71.5(8) no . . .
C1a N2b C14b N1a -87.7(14) no . . .
C1a N2b C14b C11a -89.7(13) no . . .
C14b N2b C1a N1a 81.0(13) no . . .
C14b N2b C1a C2a -78.1(10) no . . .
C14b N2b C1a C3b -99.2(11) no . . .
C14b N2b C1a C4b 106.4(12) no . . .
C2a N2b C3b C1a 63(2) no . . .
C2a N2b C3b C2a 0.0(11) no . . .
C2a N2b C3b C2b -115(3) no . . .
C2a N2b C3b C3a -142(3) no . . .
C3b N2b C2a C1a -109(2) no . . .
C3b N2b C2a C2b 39.7(19) no . . .
C3b N2b C2a C3a 22.2(19) no . . .
C3b N2b C2a C3b 0.0(18) no . . .
C2a N2b C4b N1a 153.1(14) no . . .
C2a N2b C4b C1a 4.2(15) no . . .
C2a N2b C4b C10 168.3(12) no . . .
C4b N2b C2a C1a -2.8(10) no . . .
C4b N2b C2a C2b 146.2(13) no . . .
C4b N2b C2a C3a 128.6(13) no . . .
C4b N2b C2a C3b 106.4(16) no . . .
C2a N2b C11a N1a -147.6(14) no . . .
C2a N2b C11a C12a 132.2(9) no . . .
C2a N2b C11a C14b 29.7(8) no . . .
C11a N2b C2a C1a 90.8(11) no . . .
C11a N2b C2a C2b -120.2(9) no . . .
C11a N2b C2a C3a -137.8(8) no . . .
C11a N2b C2a C3b -159.9(12) no . . .
C2a N2b C14b N1a -151.3(12) no . . .
C2a N2b C14b C11a -153.3(11) no . . .
C14b N2b C2a C1a 107.0(12) no . . .
C14b N2b C2a C2b -104.0(9) no . . .
C14b N2b C2a C3a -121.5(9) no . . .
C14b N2b C2a C3b -143.7(13) no . . .
C3b N2b C4b N1a 174.9(16) no . . .
C3b N2b C4b C1a 26.1(18) no . . .
C3b N2b C4b C10 -169.8(14) no . . .
C4b N2b C3b C1a -16.3(12) no . . .
C4b N2b C3b C2a -80(2) no . . .
C4b N2b C3b C2b 165.6(17) no . . .
C4b N2b C3b C3a 138.0(18) no . . .
C3b N2b C11a N1a -158(2) no . . .
C3b N2b C11a C12a 121.9(14) no . . .
C3b N2b C11a C14b 19.4(14) no . . .
C11a N2b C3b C1a 89.5(15) no . . .
C11a N2b C3b C2a 26(3) no . . .
C11a N2b C3b C2b -89(3) no . . .
C11a N2b C3b C3a -116.2(19) no . . .
C3b N2b C14b N1a -164.2(15) no . . .
C3b N2b C14b C11a -166.1(12) no . . .
C14b N2b C3b C1a 100.5(12) no . . .
C14b N2b C3b C2a 37.1(19) no . . .
C14b N2b C3b C2b -78(2) no . . .
C14b N2b C3b C3a -105.2(18) no . . .
C4b N2b C11a N1a -43.9(11) no . . .
C4b N2b C11a C12a -124.0(12) no . . .
C4b N2b C11a C14b 133.5(13) no . . .
C11a N2b C4b N1a 37.7(8) no . . .
C11a N2b C4b C1a -111.1(14) no . . .
C11a N2b C4b C10 53.0(13) no . . .
C4b N2b C14b N1a -48.7(13) no . . .
C4b N2b C14b C11a -50.7(15) no . . .
C14b N2b C4b N1a 63.5(13) no . . .
C14b N2b C4b C1a -85.3(16) no . . .
C14b N2b C4b C10 78.8(16) no . . .
C11a N2b C14b N1a 2.0(11) no . . .
C11a N2b C14b C11a 0.0(4) no . . .
C14b N2b C11a N1a -177.3(14) no . . .
C14b N2b C11a C12a 102.5(12) no . . .
C14b N2b C11a C14b 0.0(10) no . . .
Ni1 N3a N4b Ni1 0.000(17) no . . .
Ni1 N3a N4b C6a -136.6(8) no . . .
Ni1 N3a N4b C7a -171(3) no . . .
Ni1 N3a N4b C8b -127(3) no . . .
Ni1 N3a N4b C9b -122.6(4) no . . .
Ni1 N3a N4b C15a 117.1(5) no . . .
Ni1 N3a N4b C18b 117.6(7) no . . .
Ni1 N3a C5 N1b -7.3(4) no . . .
Ni1 N3a C5 C4a 34.1(5) no . . .
Ni1 N3a C5 C9b 113.1(4) no . . .
Ni1 N3a C6a N4b 43.4(5) no . . .
Ni1 N3a C6a C7a 64.0(7) no . . .
Ni1 N3a C6a C8b 39.9(7) no . . .
Ni1 N3a C6a C9b -110.4(7) no . . .
Ni1 N3a C9b N4b 62.9(10) no . . .
Ni1 N3a C9b C5 -100.7(7) no . . .
Ni1 N3a C9b C6a 82(3) no . . .
Ni1 N3a C15a N4b -75.6(5) no . . .
Ni1 N3a C15a C16a 38.0(7) no . . .
Ni1 N3a C15a C18b -76.4(5) no . . .
Ni1 N3a C18b N4b -60.2(6) no . . .
Ni1 N3a C18b C15a 119.0(8) no . . .
N4b N3a C5 N1b -88.7(18) no . . .
N4b N3a C5 C4a -47.2(19) no . . .
N4b N3a C5 C9b 31.7(17) no . . .
C5 N3a N4b Ni1 90.9(17) no . . .
C5 N3a N4b C6a -46(2) no . . .
C5 N3a N4b C7a -81(3) no . . .
C5 N3a N4b C8b -36(5) no . . .
C5 N3a N4b C9b -31.7(16) no . . .
C5 N3a N4b C15a -152.1(19) no . . .
C5 N3a N4b C18b -151.5(14) no . . .
N4b N3a C6a N4b 0.0(9) no . . .
N4b N3a C6a C7a 20.6(10) no . . .
N4b N3a C6a C8b -3.5(9) no . . .
N4b N3a C6a C9b -153.7(12) no . . .
C6a N3a N4b Ni1 136.6(9) no . . .
C6a N3a N4b C6a 0.0(5) no . . .
C6a N3a N4b C7a -34.8(17) no . . .
C6a N3a N4b C8b 10(3) no . . .
C6a N3a N4b C9b 14.0(7) no . . .
C6a N3a N4b C15a -106.4(8) no . . .
C6a N3a N4b C18b -105.8(10) no . . .
N4b N3a C9b N4b 0.0(7) no . . .
N4b N3a C9b C5 -163.5(10) no . . .
N4b N3a C9b C6a 19.3(17) no . . .
C9b N3a N4b Ni1 122.6(15) no . . .
C9b N3a N4b C6a -14.0(15) no . . .
C9b N3a N4b C7a -49(3) no . . .
C9b N3a N4b C8b -4(4) no . . .
C9b N3a N4b C9b 0.0(14) no . . .
C9b N3a N4b C15a -120.3(15) no . . .
C9b N3a N4b C18b -119.8(15) no . . .
N4b N3a C15a N4b -0.0(8) no . . .
N4b N3a C15a C16a 113.6(10) no . . .
N4b N3a C15a C18b -0.7(10) no . . .
C15a N3a N4b Ni1 -117.1(6) no . . .
C15a N3a N4b C6a 106.4(8) no . . .
C15a N3a N4b C7a 72(3) no . . .
C15a N3a N4b C8b 116(3) no . . .
C15a N3a N4b C9b 120.3(6) no . . .
C15a N3a N4b C15a -0.0(4) no . . .
C15a N3a N4b C18b 0.6(8) no . . .
N4b N3a C18b N4b -0.0(10) no . . .
N4b N3a C18b C15a 179.2(16) no . . .
C18b N3a N4b Ni1 -117.6(10) no . . .
C18b N3a N4b C6a 105.8(12) no . . .
C18b N3a N4b C7a 71(2) no . . .
C18b N3a N4b C8b 115(4) no . . .
C18b N3a N4b C9b 119.8(10) no . . .
C18b N3a N4b C15a -0.6(11) no . . .
C18b N3a N4b C18b -0.0(8) no . . .
C5 N3a C6a N4b 156.7(6) no . . .
C5 N3a C6a C7a 177.2(5) no . . .
C5 N3a C6a C8b 153.2(5) no . . .
C5 N3a C6a C9b 2.9(7) no . . .
C6a N3a C5 N1b -121.9(5) no . . .
C6a N3a C5 C4a -80.5(6) no . . .
C6a N3a C5 C9b -1.6(4) no . . .
C5 N3a C9b N4b 163.5(8) no . . .
C5 N3a C9b C5 -0.00(19) no . . .
C5 N3a C9b C6a -177(3) no . . .
C9b N3a C5 N1b -120.3(13) no . . .
C9b N3a C5 C4a -78.9(13) no . . .
C9b N3a C5 C9b -0.0(13) no . . .
C5 N3a C15a N4b 165.1(9) no . . .
C5 N3a C15a C16a -81.3(7) no . . .
C5 N3a C15a C18b 164.3(6) no . . .
C15a N3a C5 N1b 120.3(5) no . . .
C15a N3a C5 C4a 161.7(5) no . . .
C15a N3a C5 C9b -119.4(7) no . . .
C5 N3a C18b N4b 153.1(13) no . . .
C5 N3a C18b C15a -27.7(19) no . . .
C18b N3a C5 N1b 139.0(14) no . . .
C18b N3a C5 C4a -179.5(13) no . . .
C18b N3a C5 C9b -100.6(15) no . . .
C6a N3a C9b N4b -19.3(17) no . . .
C6a N3a C9b C5 177(3) no . . .
C6a N3a C9b C6a 0.0(6) no . . .
C9b N3a C6a N4b 154(3) no . . .
C9b N3a C6a C7a 174(3) no . . .
C9b N3a C6a C8b 150(3) no . . .
C9b N3a C6a C9b -0(3) no . . .
C6a N3a C15a N4b 47.5(5) no . . .
C6a N3a C15a C16a 161.1(6) no . . .
C6a N3a C15a C18b 46.7(7) no . . .
C15a N3a C6a N4b -86.3(7) no . . .
C15a N3a C6a C7a -65.7(8) no . . .
C15a N3a C6a C8b -89.8(7) no . . .
C15a N3a C6a C9b 120.0(8) no . . .
C6a N3a C18b N4b 45.3(6) no . . .
C6a N3a C18b C15a -135.5(10) no . . .
C18b N3a C6a N4b -57.1(8) no . . .
C18b N3a C6a C7a -36.5(8) no . . .
C18b N3a C6a C8b -60.6(8) no . . .
C18b N3a C6a C9b 149.2(10) no . . .
C9b N3a C15a N4b 80.2(16) no . . .
C9b N3a C15a C16a -166.2(16) no . . .
C9b N3a C15a C18b 79.5(17) no . . .
C15a N3a C9b N4b -93.8(10) no . . .
C15a N3a C9b C5 102.7(11) no . . .
C15a N3a C9b C6a -74(2) no . . .
C9b N3a C18b N4b 61.9(12) no . . .
C9b N3a C18b C15a -118.9(14) no . . .
C18b N3a C9b N4b -51.1(9) no . . .
C18b N3a C9b C5 145.3(8) no . . .
C18b N3a C9b C6a -32(3) no . . .
C15a N3a C18b N4b -179.2(14) no . . .
C15a N3a C18b C15a 0.0(5) no . . .
C18b N3a C15a N4b 0.7(12) no . . .
C18b N3a C15a C16a 114.3(13) no . . .
C18b N3a C15a C18b 0.0(11) no . . .
Ni1 N3b N4a Ni1 0.000(14) no . . .
Ni1 N3b N4a C6b 137.0(5) no . . .
Ni1 N3b N4a C7b 165.2(14) no . . .
Ni1 N3b N4a C8a 115(3) no . . .
Ni1 N3b N4a C9a 117.8(9) no . . .
Ni1 N3b N4a C15b -115.6(8) no . . .
Ni1 N3b N4a C18a -119.4(3) no . . .
Ni1 N3b C6b N4a -43.7(10) no . . .
Ni1 N3b C6b C7b -59.9(15) no . . .
Ni1 N3b C6b C8a -35.8(14) no . . .
Ni1 N3b C6b C9a 104.0(14) no . . .
Ni1 N3b C6b C18a -101.5(9) no . . .
Ni1 N3b C9a N4a -67.4(10) no . . .
Ni1 N3b C9a C6b -91.8(10) no . . .
Ni1 N3b C9a C10 96.7(10) no . . .
Ni1 N3b C10 N1a 8.8(7) no . . .
Ni1 N3b C10 C4b -33.5(9) no . . .
Ni1 N3b C10 C9a -110.4(11) no . . .
Ni1 N3b C15b N4a 75.1(11) no . . .
Ni1 N3b C15b C16b -42.5(17) no . . .
Ni1 N3b C15b C18a 80.0(12) no . . .
Ni1 N3b C18a N4a 58.9(7) no . . .
Ni1 N3b C18a C6b 108.1(11) no . . .
Ni1 N3b C18a C15b -115.4(8) no . . .
N4a N3b C6b N4a 0.0(4) no . . .
N4a N3b C6b C7b -16.2(12) no . . .
N4a N3b C6b C8a 7.9(10) no . . .
N4a N3b C6b C9a 148(2) no . . .
N4a N3b C6b C18a -57.7(8) no . . .
C6b N3b N4a Ni1 -137.0(11) no . . .
C6b N3b N4a C6b 0.0(10) no . . .
C6b N3b N4a C7b 28.2(18) no . . .
C6b N3b N4a C8a -22(3) no . . .
C6b N3b N4a C9a -19.2(12) no . . .
C6b N3b N4a C15b 107.3(13) no . . .
C6b N3b N4a C18a 103.6(11) no . . .
N4a N3b C9a N4a 0.0(4) no . . .
N4a N3b C9a C6b -24.3(10) no . . .
N4a N3b C9a C10 164.1(13) no . . .
C9a N3b N4a Ni1 -117.8(10) no . . .
C9a N3b N4a C6b 19.2(8) no . . .
C9a N3b N4a C7b 47(2) no . . .
C9a N3b N4a C8a -3(3) no . . .
C9a N3b N4a C9a -0.0(4) no . . .
C9a N3b N4a C15b 126.5(14) no . . .
C9a N3b N4a C18a 122.7(9) no . . .
N4a N3b C10 N1a 89(3) no . . .
N4a N3b C10 C4b 47(3) no . . .
N4a N3b C10 C9a -30(2) no . . .
C10 N3b N4a Ni1 -90(3) no . . .
C10 N3b N4a C6b 47(3) no . . .
C10 N3b N4a C7b 75(4) no . . .
C10 N3b N4a C8a 25(5) no . . .
C10 N3b N4a C9a 28.0(19) no . . .
C10 N3b N4a C15b 155(3) no . . .
C10 N3b N4a C18a 151(3) no . . .
N4a N3b C15b N4a 0.0(3) no . . .
N4a N3b C15b C16b -117.6(13) no . . .
N4a N3b C15b C18a 5.0(11) no . . .
C15b N3b N4a Ni1 115.6(10) no . . .
C15b N3b N4a C6b -107.3(10) no . . .
C15b N3b N4a C7b -79.1(17) no . . .
C15b N3b N4a C8a -129(3) no . . .
C15b N3b N4a C9a -126.5(14) no . . .
C15b N3b N4a C15b 0.0(6) no . . .
C15b N3b N4a C18a -3.8(9) no . . .
N4a N3b C18a N4a 0.0(4) no . . .
N4a N3b C18a C6b 49.2(6) no . . .
N4a N3b C18a C15b -174.3(10) no . . .
C18a N3b N4a Ni1 119.4(4) no . . .
C18a N3b N4a C6b -103.6(5) no . . .
C18a N3b N4a C7b -75.3(16) no . . .
C18a N3b N4a C8a -125(3) no . . .
C18a N3b N4a C9a -122.7(9) no . . .
C18a N3b N4a C15b 3.8(7) no . . .
C18a N3b N4a C18a 0.0(3) no . . .
C6b N3b C9a N4a 24.3(16) no . . .
C6b N3b C9a C6b -0.0(13) no . . .
C6b N3b C9a C10 -171.5(15) no . . .
C9a N3b C6b N4a -148(2) no . . .
C9a N3b C6b C7b -164(3) no . . .
C9a N3b C6b C8a -140(2) no . . .
C9a N3b C6b C9a 0.0(7) no . . .
C9a N3b C6b C18a 154.6(17) no . . .
C6b N3b C10 N1a 124.5(12) no . . .
C6b N3b C10 C4b 82.3(13) no . . .
C6b N3b C10 C9a 5.3(9) no . . .
C10 N3b C6b N4a -155.8(16) no . . .
C10 N3b C6b C7b -172.0(11) no . . .
C10 N3b C6b C8a -147.9(11) no . . .
C10 N3b C6b C9a -8.1(13) no . . .
C10 N3b C6b C18a 146.4(14) no . . .
C6b N3b C15b N4a -50.9(12) no . . .
C6b N3b C15b C16b -168.5(13) no . . .
C6b N3b C15b C18a -45.9(14) no . . .
C15b N3b C6b N4a 86.3(14) no . . .
C15b N3b C6b C7b 70.1(18) no . . .
C15b N3b C6b C8a 94.2(15) no . . .
C15b N3b C6b C9a -126.0(17) no . . .
C15b N3b C6b C18a 28.6(10) no . . .
C6b N3b C18a N4a -49.2(10) no . . .
C6b N3b C18a C6b -0.0(8) no . . .
C6b N3b C18a C15b 136.5(12) no . . .
C18a N3b C6b N4a 57.7(8) no . . .
C18a N3b C6b C7b 41.5(13) no . . .
C18a N3b C6b C8a 65.6(11) no . . .
C18a N3b C6b C9a -154.6(15) no . . .
C18a N3b C6b C18a -0.0(3) no . . .
C9a N3b C10 N1a 119.2(9) no . . .
C9a N3b C10 C4b 76.9(9) no . . .
C9a N3b C10 C9a -0.0(5) no . . .
C10 N3b C9a N4a -164.1(12) no . . .
C10 N3b C9a C6b 171.5(9) no . . .
C10 N3b C9a C10 0.0(3) no . . .
C9a N3b C15b N4a -89.1(19) no . . .
C9a N3b C15b C16b 153.3(15) no . . .
C9a N3b C15b C18a -84.2(19) no . . .
C15b N3b C9a N4a 97.2(19) no . . .
C15b N3b C9a C6b 72.9(19) no . . .
C15b N3b C9a C10 -98.7(19) no . . .
C9a N3b C18a N4a -65.9(13) no . . .
C9a N3b C18a C6b -16.6(9) no . . .
C9a N3b C18a C15b 119.8(15) no . . .
C18a N3b C9a N4a 51.8(9) no . . .
C18a N3b C9a C6b 27.5(13) no . . .
C18a N3b C9a C10 -144.1(15) no . . .
C10 N3b C15b N4a -165.7(16) no . . .
C10 N3b C15b C16b 76.7(14) no . . .
C10 N3b C15b C18a -160.8(10) no . . .
C15b N3b C10 N1a -117.9(10) no . . .
C15b N3b C10 C4b -160.1(9) no . . .
C15b N3b C10 C9a 122.9(14) no . . .
C10 N3b C18a N4a -151(3) no . . .
C10 N3b C18a C6b -101.9(19) no . . .
C10 N3b C18a C15b 34.6(17) no . . .
C18a N3b C10 N1a -141.2(18) no . . .
C18a N3b C10 C4b 176.6(16) no . . .
C18a N3b C10 C9a 99.6(19) no . . .
C15b N3b C18a N4a 174.3(13) no . . .
C15b N3b C18a C6b -136.5(13) no . . .
C15b N3b C18a C15b -0.0(9) no . . .
C18a N3b C15b N4a -5.0(11) no . . .
C18a N3b C15b C16b -122.5(16) no . . .
C18a N3b C15b C18a -0.0(4) no . . .
Ni1 N4a C6b N3b 65.4(11) no . . .
Ni1 N4a C6b C7b -130.4(10) no . . .
Ni1 N4a C6b C8a -106.0(11) no . . .
Ni1 N4a C6b C9a 40(2) no . . .
Ni1 N4a C6b C18a 145.5(14) no . . .
Ni1 N4a C7b C6b 129.7(8) no . . .
Ni1 N4a C7b C7a -28.5(14) no . . .
Ni1 N4a C7b C8a 27(2) no . . .
Ni1 N4a C7b C8b -11.3(14) no . . .
Ni1 N4a C8a C6b 130.9(5) no . . .
Ni1 N4a C8a C7a -64.2(7) no . . .
Ni1 N4a C8a C7b -159.2(8) no . . .
Ni1 N4a C8a C8b -45.1(8) no . . .
Ni1 N4a C9a N3b 62.1(4) no . . .
Ni1 N4a C9a C6b -151.2(6) no . . .
Ni1 N4a C9a C10 46.7(6) no . . .
Ni1 N4a C15b N3b -63.2(5) no . . .
Ni1 N4a C15b C16b 17.0(12) no . . .
Ni1 N4a C15b C18a 123.5(7) no . . .
Ni1 N4a C18a N3b -71.7(4) no . . .
Ni1 N4a C18a C6b -152.4(7) no . . .
Ni1 N4a C18a C15b -66.7(6) no . . .
N3b N4a C6b N3b 0.0(9) no . . .
N3b N4a C6b C7b 164.3(11) no . . .
N3b N4a C6b C8a -171.4(11) no . . .
N3b N4a C6b C9a -25.4(15) no . . .
N3b N4a C6b C18a 80.1(11) no . . .
N3b N4a C7b C6b -30(2) no . . .
N3b N4a C7b C7a 171.6(18) no . . .
N3b N4a C7b C8a -133(3) no . . .
N3b N4a C7b C8b -171.3(18) no . . .
N3b N4a C8a C6b 22(3) no . . .
N3b N4a C8a C7a -173(3) no . . .
N3b N4a C8a C7b 92(3) no . . .
N3b N4a C8a C8b -154(3) no . . .
N3b N4a C9a N3b -0.0(12) no . . .
N3b N4a C9a C6b 146.7(14) no . . .
N3b N4a C9a C10 -15.4(12) no . . .
N3b N4a C15b N3b 0.0(10) no . . .
N3b N4a C15b C16b 80.2(16) no . . .
N3b N4a C15b C18a -173.3(15) no . . .
N3b N4a C18a N3b 0.0(8) no . . .
N3b N4a C18a C6b -80.7(9) no . . .
N3b N4a C18a C15b 5.0(9) no . . .
C6b N4a C7b C6b -0.0(10) no . . .
C6b N4a C7b C7a -158.2(15) no . . .
C6b N4a C7b C8a -102.6(19) no . . .
C6b N4a C7b C8b -141.1(14) no . . .
C7b N4a C6b N3b -164.3(11) no . . .
C7b N4a C6b C7b -0.0(9) no . . .
C7b N4a C6b C8a 24.3(9) no . . .
C7b N4a C6b C9a 170.4(19) no . . .
C7b N4a C6b C18a -84.2(10) no . . .
C6b N4a C8a C6b -0.0(10) no . . .
C6b N4a C8a C7a 164.8(12) no . . .
C6b N4a C8a C7b 69.8(13) no . . .
C6b N4a C8a C8b -176.0(13) no . . .
C8a N4a C6b N3b 171.4(7) no . . .
C8a N4a C6b C7b -24.3(5) no . . .
C8a N4a C6b C8a 0.0(4) no . . .
C8a N4a C6b C9a 146.0(16) no . . .
C8a N4a C6b C18a -108.5(6) no . . .
C6b N4a C9a N3b -146.7(18) no . . .
C6b N4a C9a C6b 0.0(16) no . . .
C6b N4a C9a C10 -162.1(19) no . . .
C9a N4a C6b N3b 25.4(14) no . . .
C9a N4a C6b C7b -170.4(18) no . . .
C9a N4a C6b C8a -146.0(16) no . . .
C9a N4a C6b C9a 0.0(6) no . . .
C9a N4a C6b C18a 105.5(14) no . . .
C6b N4a C15b N3b 72.9(12) no . . .
C6b N4a C15b C16b 153.1(15) no . . .
C6b N4a C15b C18a -100.5(12) no . . .
C15b N4a C6b N3b -45.5(6) no . . .
C15b N4a C6b C7b 118.8(7) no . . .
C15b N4a C6b C8a 143.1(6) no . . .
C15b N4a C6b C9a -70.9(15) no . . .
C15b N4a C6b C18a 34.6(6) no . . .
C6b N4a C18a N3b 80.7(11) no . . .
C6b N4a C18a C6b 0.0(10) no . . .
C6b N4a C18a C15b 85.7(12) no . . .
C18a N4a C6b N3b -80.1(6) no . . .
C18a N4a C6b C7b 84.2(7) no . . .
C18a N4a C6b C8a 108.5(6) no . . .
C18a N4a C6b C9a -105.5(13) no . . .
C18a N4a C6b C18a 0.0(4) no . . .
C7b N4a C8a C6b -69.8(19) no . . .
C7b N4a C8a C7a 95.0(19) no . . .
C7b N4a C8a C7b 0.0(17) no . . .
C7b N4a C8a C8b 114(2) no . . .
C8a N4a C7b C6b 102.6(18) no . . .
C8a N4a C7b C7a -55.6(17) no . . .
C8a N4a C7b C8a 0.0(9) no . . .
C8a N4a C7b C8b -38.4(15) no . . .
C7b N4a C9a N3b -156.0(10) no . . .
C7b N4a C9a C6b -9.3(10) no . . .
C7b N4a C9a C10 -171.4(10) no . . .
C9a N4a C7b C6b 5.9(7) no . . .
C9a N4a C7b C7a -152.3(8) no . . .
C9a N4a C7b C8a -96.7(16) no . . .
C9a N4a C7b C8b -135.2(8) no . . .
C7b N4a C15b N3b 142.9(10) no . . .
C7b N4a C15b C16b -136.9(13) no . . .
C7b N4a C15b C18a -30.5(12) no . . .
C15b N4a C7b C6b -86.9(8) no . . .
C15b N4a C7b C7a 114.9(10) no . . .
C15b N4a C7b C8a 170.5(13) no . . .
C15b N4a C7b C8b 132.0(9) no . . .
C7b N4a C18a N3b 148.8(9) no . . .
C7b N4a C18a C6b 68.1(9) no . . .
C7b N4a C18a C15b 153.8(9) no . . .
C18a N4a C7b C6b -103.5(6) no . . .
C18a N4a C7b C7a 98.2(9) no . . .
C18a N4a C7b C8a 153.8(16) no . . .
C18a N4a C7b C8b 115.4(8) no . . .
C8a N4a C9a N3b 179.0(7) no . . .
C8a N4a C9a C6b -34.4(7) no . . .
C8a N4a C9a C10 163.5(6) no . . .
C9a N4a C8a C6b 20.2(4) no . . .
C9a N4a C8a C7a -175.0(6) no . . .
C9a N4a C8a C7b 90.0(9) no . . .
C9a N4a C8a C8b -155.8(7) no . . .
C8a N4a C15b N3b 149.4(11) no . . .
C8a N4a C15b C16b -130.4(12) no . . .
C8a N4a C15b C18a -24.0(14) no . . .
C15b N4a C8a C6b -83.8(11) no . . .
C15b N4a C8a C7a 81.0(13) no . . .
C15b N4a C8a C7b -13.9(16) no . . .
C15b N4a C8a C8b 100.2(13) no . . .
C8a N4a C18a N3b 160.0(8) no . . .
C8a N4a C18a C6b 79.2(6) no . . .
C8a N4a C18a C15b 165.0(6) no . . .
C18a N4a C8a C6b -98.0(6) no . . .
C18a N4a C8a C7a 66.9(9) no . . .
C18a N4a C8a C7b -28.1(11) no . . .
C18a N4a C8a C8b 86.0(9) no . . .
C9a N4a C15b N3b 38.7(5) no . . .
C9a N4a C15b C16b 118.9(12) no . . .
C9a N4a C15b C18a -134.7(8) no . . .
C15b N4a C9a N3b -36.7(6) no . . .
C15b N4a C9a C6b 110.0(8) no . . .
C15b N4a C9a C10 -52.1(7) no . . .
C9a N4a C18a N3b 43.6(4) no . . .
C9a N4a C18a C6b -37.2(4) no . . .
C9a N4a C18a C15b 48.6(7) no . . .
C18a N4a C9a N3b -61.8(5) no . . .
C18a N4a C9a C6b 84.9(7) no . . .
C18a N4a C9a C10 -77.2(7) no . . .
C15b N4a C18a N3b -5.0(9) no . . .
C15b N4a C18a C6b -85.7(10) no . . .
C15b N4a C18a C15b 0.0(8) no . . .
C18a N4a C15b N3b 173.3(12) no . . .
C18a N4a C15b C16b -106.5(15) no . . .
C18a N4a C15b C18a 0.0(5) no . . .
Ni1 N4b C6a N3a -75.0(12) no . . .
Ni1 N4b C6a C7a 124.3(12) no . . .
Ni1 N4b C6a C8b 101.4(12) no . . .
Ni1 N4b C6a C9b -56.0(14) no . . .
Ni1 N4b C7a C6a -129.1(12) no . . .
Ni1 N4b C7a C7b 17.1(13) no . . .
Ni1 N4b C7a C8a -0.4(12) no . . .
Ni1 N4b C7a C8b -30.1(18) no . . .
Ni1 N4b C8b C6a -132.1(10) no . . .
Ni1 N4b C8b C7a 156.1(18) no . . .
Ni1 N4b C8b C7b 50.1(15) no . . .
Ni1 N4b C8b C8a 24.6(17) no . . .
Ni1 N4b C9b N3a -61.0(10) no . . .
Ni1 N4b C9b C5 -46.1(14) no . . .
Ni1 N4b C9b C6a 142.3(13) no . . .
Ni1 N4b C15a N3a 63.2(6) no . . .
Ni1 N4b C15a C16a -18.0(9) no . . .
Ni1 N4b C15a C18b -117.7(9) no . . .
Ni1 N4b C18b N3a 74.7(8) no . . .
Ni1 N4b C18b C15a 73.9(15) no . . .
N3a N4b C6a N3a 0.0(3) no . . .
N3a N4b C6a C7a -160.7(9) no . . .
N3a N4b C6a C8b 176.5(9) no . . .
N3a N4b C6a C9b 19.1(9) no . . .
N3a N4b C7a C6a 40(2) no . . .
N3a N4b C7a C7b -174(2) no . . .
N3a N4b C7a C8a 168(2) no . . .
N3a N4b C7a C8b 139(3) no . . .
N3a N4b C8b C6a -10(4) no . . .
N3a N4b C8b C7a -82(4) no . . .
N3a N4b C8b C7b 172(3) no . . .
N3a N4b C8b C8a 146(3) no . . .
N3a N4b C9b N3a 0.0(4) no . . .
N3a N4b C9b C5 14.9(8) no . . .
N3a N4b C9b C6a -157(2) no . . .
N3a N4b C15a N3a 0.0(6) no . . .
N3a N4b C15a C16a -81.2(11) no . . .
N3a N4b C15a C18b 179.0(13) no . . .
N3a N4b C18b N3a 0.0(4) no . . .
N3a N4b C18b C15a -0.7(14) no . . .
C6a N4b C7a C6a -0.0(5) no . . .
C6a N4b C7a C7b 146.2(9) no . . .
C6a N4b C7a C8a 128.7(9) no . . .
C6a N4b C7a C8b 99.0(14) no . . .
C7a N4b C6a N3a 160.7(9) no . . .
C7a N4b C6a C7a 0.0(4) no . . .
C7a N4b C6a C8b -22.8(4) no . . .
C7a N4b C6a C9b 179.8(9) no . . .
C6a N4b C8b C6a -0.0(5) no . . .
C6a N4b C8b C7a -72(2) no . . .
C6a N4b C8b C7b -177.8(15) no . . .
C6a N4b C8b C8a 156.7(16) no . . .
C8b N4b C6a N3a -176.5(11) no . . .
C8b N4b C6a C7a 22.8(7) no . . .
C8b N4b C6a C8b 0.0(7) no . . .
C8b N4b C6a C9b -157.4(10) no . . .
C6a N4b C9b N3a 157(3) no . . .
C6a N4b C9b C5 172(3) no . . .
C6a N4b C9b C6a 0.0(7) no . . .
C9b N4b C6a N3a -19.1(17) no . . .
C9b N4b C6a C7a -179.8(17) no . . .
C9b N4b C6a C8b 157.4(17) no . . .
C9b N4b C6a C9b 0.0(15) no . . .
C6a N4b C15a N3a -79.9(11) no . . .
C6a N4b C15a C16a -161.1(8) no . . .
C6a N4b C15a C18b 99.2(10) no . . .
C15a N4b C6a N3a 47.6(5) no . . .
C15a N4b C6a C7a -113.1(7) no . . .
C15a N4b C6a C8b -135.9(7) no . . .
C15a N4b C6a C9b 66.6(8) no . . .
C6a N4b C18b N3a -89.6(13) no . . .
C6a N4b C18b C15a -90.3(14) no . . .
C18b N4b C6a N3a 84.4(11) no . . .
C18b N4b C6a C7a -76.3(10) no . . .
C18b N4b C6a C8b -99.1(10) no . . .
C18b N4b C6a C9b 103.5(11) no . . .
C7a N4b C8b C6a 72(3) no . . .
C7a N4b C8b C7a -0.0(14) no . . .
C7a N4b C8b C7b -106(3) no . . .
C7a N4b C8b C8a -132(4) no . . .
C8b N4b C7a C6a -99(3) no . . .
C8b N4b C7a C7b 47(3) no . . .
C8b N4b C7a C8a 30(3) no . . .
C8b N4b C7a C8b -0(2) no . . .
C7a N4b C9b N3a 156.5(12) no . . .
C7a N4b C9b C5 171.5(11) no . . .
C7a N4b C9b C6a -0.2(15) no . . .
C9b N4b C7a C6a 0.1(10) no . . .
C9b N4b C7a C7b 146.4(12) no . . .
C9b N4b C7a C8a 128.8(12) no . . .
C9b N4b C7a C8b 99.1(17) no . . .
C7a N4b C15a N3a -146.7(16) no . . .
C7a N4b C15a C16a 132.1(10) no . . .
C7a N4b C15a C18b 32.3(9) no . . .
C15a N4b C7a C6a 92.0(10) no . . .
C15a N4b C7a C7b -121.7(9) no . . .
C15a N4b C7a C8a -139.3(9) no . . .
C15a N4b C7a C8b -169.0(14) no . . .
C7a N4b C18b N3a -150.5(13) no . . .
C7a N4b C18b C15a -151.3(13) no . . .
C18b N4b C7a C6a 110.3(12) no . . .
C18b N4b C7a C7b -103.5(11) no . . .
C18b N4b C7a C8a -121.1(11) no . . .
C18b N4b C7a C8b -150.7(17) no . . .
C8b N4b C9b N3a 178.4(13) no . . .
C8b N4b C9b C5 -166.6(12) no . . .
C8b N4b C9b C6a 21.7(17) no . . .
C9b N4b C8b C6a -14.0(13) no . . .
C9b N4b C8b C7a -86(3) no . . .
C9b N4b C8b C7b 168.2(16) no . . .
C9b N4b C8b C8a 142.7(17) no . . .
C8b N4b C15a N3a -153(3) no . . .
C8b N4b C15a C16a 126.1(17) no . . .
C8b N4b C15a C18b 26.4(16) no . . .
C15a N4b C8b C6a 86.4(16) no . . .
C15a N4b C8b C7a 15(3) no . . .
C15a N4b C8b C7b -91.4(19) no . . .
C15a N4b C8b C8a -117.0(17) no . . .
C8b N4b C18b N3a -161.2(17) no . . .
C8b N4b C18b C15a -161.9(14) no . . .
C18b N4b C8b C6a 101.9(13) no . . .
C18b N4b C8b C7a 30(3) no . . .
C18b N4b C8b C7b -75.9(17) no . . .
C18b N4b C8b C8a -101.5(16) no . . .
C9b N4b C15a N3a -45.6(14) no . . .
C9b N4b C15a C16a -126.8(15) no . . .
C9b N4b C15a C18b 133.5(16) no . . .
C15a N4b C9b N3a 40.4(8) no . . .
C15a N4b C9b C5 55.4(12) no . . .
C15a N4b C9b C6a -116.3(14) no . . .
C9b N4b C18b N3a -50.0(14) no . . .
C9b N4b C18b C15a -50.8(19) no . . .
C18b N4b C9b N3a 67.4(15) no . . .
C18b N4b C9b C5 82.3(18) no . . .
C18b N4b C9b C6a -89.4(15) no . . .
C15a N4b C18b N3a 0.7(14) no . . .
C15a N4b C18b C15a 0.0(4) no . . .
C18b N4b C15a N3a -179.0(18) no . . .
C18b N4b C15a C16a 99.8(16) no . . .
C18b N4b C15a C18b 0.0(14) no . . .
N1a C1a C2a N2b -15.6(5) no . . .
N1a C1a C2a C2b -61.0(14) no . . .
N1a C1a C2a C3a -70.5(10) no . . .
N1a C1a C2a C3b -80.5(13) no . . .
N1a C1a C3b N2b 0.2(7) no . . .
N1a C1a C3b C2a 107.8(17) no . . .
N1a C1a C3b C3a -46(4) no . . .
N1a C1a C4b N1a 0.0(4) no . . .
N1a C1a C4b N2b 21.7(13) no . . .
N1a C1a C4b C10 -14(4) no . . .
N2b C1a C2a N2b 0.0(9) no . . .
N2b C1a C2a C2b -45.4(14) no . . .
N2b C1a C2a C3a -54.9(11) no . . .
N2b C1a C2a C3b -64.9(14) no . . .
N2b C1a C3b N2b -0.0(8) no . . .
N2b C1a C3b C2a 107.6(19) no . . .
N2b C1a C3b C3a -47(3) no . . .
N2b C1a C4b N1a -21.7(15) no . . .
N2b C1a C4b N2b 0.0(8) no . . .
N2b C1a C4b C10 -35(5) no . . .
C2a C1a C3b N2b -108(2) no . . .
C2a C1a C3b C2a 0.0(12) no . . .
C2a C1a C3b C3a -154(5) no . . .
C3b C1a C2a N2b 65(2) no . . .
C3b C1a C2a C2b 19.6(18) no . . .
C3b C1a C2a C3a 10.0(18) no . . .
C3b C1a C2a C3b 0.0(17) no . . .
C3b C1a C4b N1a -67(3) no . . .
C3b C1a C4b N2b -45(3) no . . .
C3b C1a C4b C10 -81(6) no . . .
C4b C1a C3b N2b 51(3) no . . .
C4b C1a C3b C2a 159(3) no . . .
C4b C1a C3b C3a 5(5) no . . .
N1b C1b C2b N2a 15.0(10) no . . .
N1b C1b C2b C2a 51(3) no . . .
N1b C1b C2b C3a 79(3) no . . .
N1b C1b C2b C3b 62.6(19) no . . .
N1b C1b C3a N2a -4.6(7) no . . .
N1b C1b C3a C2a -27(3) no . . .
N1b C1b C3a C2b -109.8(14) no . . .
N1b C1b C3a C3b 9(3) no . . .
N1b C1b C4a N1b 0.0(7) no . . .
N1b C1b C4a N2a -20.5(12) no . . .
N1b C1b C4a C5 12(4) no . . .
N2a C1b C2b N2a 0.0(3) no . . .
N2a C1b C2b C2a 35.8(17) no . . .
N2a C1b C2b C3a 64.4(19) no . . .
N2a C1b C2b C3b 47.6(15) no . . .
N2a C1b C3a N2a -0.0(3) no . . .
N2a C1b C3a C2a -22(3) no . . .
N2a C1b C3a C2b -105.2(11) no . . .
N2a C1b C3a C3b 13(3) no . . .
N2a C1b C4a N1b 20.5(10) no . . .
N2a C1b C4a N2a -0.0(3) no . . .
N2a C1b C4a C5 32(4) no . . .
C2b C1b C3a N2a 105(3) no . . .
C2b C1b C3a C2a 83(3) no . . .
C2b C1b C3a C2b -0(2) no . . .
C2b C1b C3a C3b 118(4) no . . .
C3a C1b C2b N2a -64(2) no . . .
C3a C1b C2b C2a -28.6(14) no . . .
C3a C1b C2b C3a -0.0(8) no . . .
C3a C1b C2b C3b -16.8(11) no . . .
C3a C1b C4a N1b 69(3) no . . .
C3a C1b C4a N2a 48(3) no . . .
C3a C1b C4a C5 81(4) no . . .
C4a C1b C3a N2a -58(3) no . . .
C4a C1b C3a C2a -80(4) no . . .
C4a C1b C3a C2b -163(3) no . . .
C4a C1b C3a C3b -45(5) no . . .
N2b C2a C2b N2a 4.0(12) no . . .
N2b C2a C2b C1b -18(2) no . . .
N2b C2a C2b C3a -51.6(18) no . . .
N2b C2a C3a N2a 35.8(9) no . . .
N2b C2a C3a C1b 52.0(18) no . . .
N2b C2a C3a C2b 130.0(9) no . . .
N2b C2a C3b N2b 0.0(5) no . . .
N2b C2a C3b C1a -38.1(8) no . . .
N2b C2a C3b C2b 123(2) no . . .
N2b C2a C3b C3a 120(5) no . . .
C1a C2a C2b N2a 32.4(18) no . . .
C1a C2a C2b C1b 10(3) no . . .
C1a C2a C2b C3a -23(3) no . . .
C1a C2a C3a N2a 68.2(10) no . . .
C1a C2a C3a C1b 84.4(18) no . . .
C1a C2a C3a C2b 162.3(9) no . . .
C1a C2a C3b N2b 38.1(7) no . . .
C1a C2a C3b C1a 0.0(3) no . . .
C1a C2a C3b C2b 161.6(17) no . . .
C1a C2a C3b C3a 159(4) no . . .
C2b C2a C3a N2a -94(2) no . . .
C2b C2a C3a C1b -78(3) no . . .
C2b C2a C3a C2b 0.0(18) no . . .
C3a C2a C2b N2a 55.5(16) no . . .
C3a C2a C2b C1b 33.4(14) no . . .
C3a C2a C2b C3a 0.0(8) no . . .
C2b C2a C3b N2b -123(3) no . . .
C2b C2a C3b C1a -161.6(19) no . . .
C2b C2a C3b C2b 0.0(9) no . . .
C2b C2a C3b C3a -3(3) no . . .
C3b C2a C2b N2a 59(3) no . . .
C3b C2a C2b C1b 37(3) no . . .
C3b C2a C2b C3a 3(3) no . . .
C3a C2a C3b N2b -120(5) no . . .
C3a C2a C3b C1a -159(4) no . . .
C3a C2a C3b C2b 3(3) no . . .
C3a C2a C3b C3a -0.0(7) no . . .
C3b C2a C3a N2a 92(5) no . . .
C3b C2a C3a C1b 108(5) no . . .
C3b C2a C3a C2b -174(5) no . . .
N2a C2b C3a N2a 0.0(3) no . . .
N2a C2b C3a C1b 39.7(6) no . . .
N2a C2b C3a C2a -115.3(8) no . . .
N2a C2b C3a C3b -116.9(14) no . . .
N2a C2b C3b N2b -22(2) no . . .
N2a C2b C3b C2a -122(3) no . . .
N2a C2b C3b C3a 54.0(17) no . . .
C1b C2b C3a N2a -39.7(8) no . . .
C1b C2b C3a C1b 0.0(6) no . . .
C1b C2b C3a C2a -155.0(9) no . . .
C1b C2b C3a C3b -156.6(12) no . . .
C1b C2b C3b N2b -51(3) no . . .
C1b C2b C3b C2a -150(3) no . . .
C1b C2b C3b C3a 25.7(16) no . . .
C2a C2b C3a N2a 115.3(9) no . . .
C2a C2b C3a C1b 155.0(8) no . . .
C2a C2b C3a C2a 0.0(5) no . . .
C2a C2b C3a C3b -1.6(8) no . . .
C3a C2b C3b N2b -76(3) no . . .
C3a C2b C3b C2a -176(4) no . . .
C3a C2b C3b C3a 0.0(11) no . . .
C3b C2b C3a N2a 116.9(18) no . . .
C3b C2b C3a C1b 156.6(16) no . . .
C3b C2b C3a C2a 1.6(14) no . . .
C3b C2b C3a C3b 0.0(12) no . . .
N2a C3a C3b N2b 16(2) no . . .
N2a C3a C3b C1a 46(4) no . . .
N2a C3a C3b C2a -95(5) no . . .
N2a C3a C3b C2b -101.4(14) no . . .
C1b C3a C3b N2b 6(5) no . . .
C1b C3a C3b C1a 37(6) no . . .
C1b C3a C3b C2a -105(5) no . . .
C1b C3a C3b C2b -111(4) no . . .
C2b C3a C3b N2b 117(3) no . . .
C2b C3a C3b C1a 148(4) no . . .
C2b C3a C3b C2a 6(6) no . . .
C2b C3a C3b C2b 0.0(19) no . . .
N1b C4a C5 N1b -0.0(8) no . . .
N1b C4a C5 N3a -69.5(9) no . . .
N1b C4a C5 C9b -111.9(9) no . . .
N2a C4a C5 N1b 12.2(3) no . . .
N2a C4a C5 N3a -57.3(7) no . . .
N2a C4a C5 C9b -99.7(6) no . . .
C1b C4a C5 N1b -13(4) no . . .
C1b C4a C5 N3a -82(4) no . . .
C1b C4a C5 C9b -125(4) no . . .
N1a C4b C10 N1a 0.0(4) no . . .
N1a C4b C10 N3b 68.8(11) no . . .
N1a C4b C10 C9a 113.8(9) no . . .
N2b C4b C10 N1a -12.2(8) no . . .
N2b C4b C10 N3b 56.6(16) no . . .
N2b C4b C10 C9a 101.5(14) no . . .
C1a C4b C10 N1a 15(4) no . . .
C1a C4b C10 N3b 84(5) no . . .
C1a C4b C10 C9a 129(5) no . . .
N1b C5 C9b N3a 67.3(13) no . . .
N1b C5 C9b N4b 54.6(17) no . . .
N3a C5 C9b N3a -0.0(4) no . . .
N3a C5 C9b N4b -12.7(6) no . . .
C4a C5 C9b N3a 111.8(10) no . . .
C4a C5 C9b N4b 99.1(14) no . . .
N3a C6a C7a N4b -14.2(4) no . . .
N3a C6a C7a C7b -62.2(12) no . . .
N3a C6a C7a C8a -71.5(9) no . . .
N3a C6a C7a C8b -84.6(12) no . . .
N3a C6a C8b N4b 2.5(6) no . . .
N3a C6a C8b C7a 104.9(17) no . . .
N3a C6a C8b C8a -41(3) no . . .
N3a C6a C9b N3a -0.0(3) no . . .
N3a C6a C9b N4b 17.3(16) no . . .
N4b C6a C7a N4b -0.0(6) no . . .
N4b C6a C7a C7b -48.0(12) no . . .
N4b C6a C7a C8a -57.3(10) no . . .
N4b C6a C7a C8b -70.4(13) no . . .
N4b C6a C8b N4b 0.0(6) no . . .
N4b C6a C8b C7a 102.4(18) no . . .
N4b C6a C8b C8a -44(3) no . . .
N4b C6a C9b N3a -17.3(16) no . . .
N4b C6a C9b N4b 0.0(6) no . . .
C7a C6a C8b N4b -102(2) no . . .
C7a C6a C8b C7a 0.0(12) no . . .
C7a C6a C8b C8a -146(4) no . . .
C8b C6a C7a N4b 70(2) no . . .
C8b C6a C7a C7b 22.4(18) no . . .
C8b C6a C7a C8a 13.1(18) no . . .
C8b C6a C7a C8b 0.0(17) no . . .
C8b C6a C9b N3a -58(4) no . . .
C8b C6a C9b N4b -41(3) no . . .
C9b C6a C8b N4b 45(4) no . . .
C9b C6a C8b C7a 147(4) no . . .
C9b C6a C8b C8a 1(5) no . . .
N3b C6b C7b N4a 12.7(11) no . . .
N3b C6b C7b C7a 45(3) no . . .
N3b C6b C7b C8a 78(2) no . . .
N3b C6b C7b C8b 60(2) no . . .
N3b C6b C8a N4a -6.6(8) no . . .
N3b C6b C8a C7a -40(3) no . . .
N3b C6b C8a C7b -111.0(14) no . . .
N3b C6b C8a C8b 3(4) no . . .
N3b C6b C9a N3b 0.0(9) no . . .
N3b C6b C9a N4a -23.2(15) no . . .
N3b C6b C9a C10 18(3) no . . .
N3b C6b C18a N3b -0.0(9) no . . .
N3b C6b C18a N4a 61.7(12) no . . .
N3b C6b C18a C15b -36.6(11) no . . .
N4a C6b C7b N4a -0.0(4) no . . .
N4a C6b C7b C7a 32(2) no . . .
N4a C6b C7b C8a 65.2(16) no . . .
N4a C6b C7b C8b 47.0(15) no . . .
N4a C6b C8a N4a 0.0(4) no . . .
N4a C6b C8a C7a -33(3) no . . .
N4a C6b C8a C7b -104.4(11) no . . .
N4a C6b C8a C8b 9(3) no . . .
N4a C6b C9a N3b 23.2(12) no . . .
N4a C6b C9a N4a 0.0(4) no . . .
N4a C6b C9a C10 41(4) no . . .
N4a C6b C18a N3b -61.7(9) no . . .
N4a C6b C18a N4a 0.0(5) no . . .
N4a C6b C18a C15b -98.2(11) no . . .
C7b C6b C8a N4a 104.4(19) no . . .
C7b C6b C8a C7a 71(3) no . . .
C7b C6b C8a C7b 0.0(16) no . . .
C7b C6b C8a C8b 114(4) no . . .
C8a C6b C7b N4a -65.2(17) no . . .
C8a C6b C7b C7a -32.9(15) no . . .
C8a C6b C7b C8a 0.0(8) no . . .
C8a C6b C7b C8b -18.3(11) no . . .
C7b C6b C18a N3b -140.5(14) no . . .
C7b C6b C18a N4a -78.9(13) no . . .
C7b C6b C18a C15b -177.1(11) no . . .
C18a C6b C7b N4a 47.7(6) no . . .
C18a C6b C7b C7a 80.0(18) no . . .
C18a C6b C7b C8a 112.9(16) no . . .
C18a C6b C7b C8b 94.7(13) no . . .
C8a C6b C9a N3b 73(2) no . . .
C8a C6b C9a N4a 49.6(16) no . . .
C8a C6b C9a C10 91(4) no . . .
C9a C6b C8a N4a -60(2) no . . .
C9a C6b C8a C7a -93(3) no . . .
C9a C6b C8a C7b -164(3) no . . .
C9a C6b C8a C8b -51(4) no . . .
C8a C6b C18a N3b -118.8(11) no . . .
C8a C6b C18a N4a -57.1(9) no . . .
C8a C6b C18a C15b -155.4(8) no . . .
C18a C6b C8a N4a 42.5(5) no . . .
C18a C6b C8a C7a 10(3) no . . .
C18a C6b C8a C7b -61.9(8) no . . .
C18a C6b C8a C8b 52(3) no . . .
C9a C6b C18a N3b 20.8(11) no . . .
C9a C6b C18a N4a 82.5(17) no . . .
C9a C6b C18a C15b -15.8(17) no . . .
C18a C6b C9a N3b -21.4(11) no . . .
C18a C6b C9a N4a -44.5(6) no . . .
C18a C6b C9a C10 -4(4) no . . .
N4b C7a C7b N4a 4.7(12) no . . .
N4b C7a C7b C6b -16(2) no . . .
N4b C7a C7b C8a -53.5(18) no . . .
N4b C7a C8a N4a 36.6(9) no . . .
N4b C7a C8a C6b 60.5(18) no . . .
N4b C7a C8a C7b 127.7(11) no . . .
N4b C7a C8b N4b -0.0(6) no . . .
N4b C7a C8b C6a -41.3(8) no . . .
N4b C7a C8b C7b 118.8(17) no . . .
N4b C7a C8b C8a 116(3) no . . .
C6a C7a C7b N4a 34.7(17) no . . .
C6a C7a C7b C6b 14(3) no . . .
C6a C7a C7b C8a -24(3) no . . .
C6a C7a C8a N4a 70.4(11) no . . .
C6a C7a C8a C6b 94.3(18) no . . .
C6a C7a C8a C7b 161.5(10) no . . .
C6a C7a C8b N4b 41.3(7) no . . .
C6a C7a C8b C6a 0.0(4) no . . .
C6a C7a C8b C7b 160.2(14) no . . .
C6a C7a C8b C8a 158(3) no . . .
C7b C7a C8a N4a -91(2) no . . .
C7b C7a C8a C6b -67(3) no . . .
C7b C7a C8a C7b -0.0(17) no . . .
C8a C7a C7b N4a 58.3(17) no . . .
C8a C7a C7b C6b 37.1(16) no . . .
C8a C7a C7b C8a 0.0(9) no . . .
C7b C7a C8b N4b -118.8(18) no . . .
C7b C7a C8b C6a -160.2(16) no . . .
C7b C7a C8b C7b 0.0(8) no . . .
C7b C7a C8b C8a -2.4(16) no . . .
C8b C7a C7b N4a 62(3) no . . .
C8b C7a C7b C6b 41(3) no . . .
C8b C7a C7b C8a 4(3) no . . .
C8a C7a C8b N4b -116(3) no . . .
C8a C7a C8b C6a -158(3) no . . .
C8a C7a C8b C7b 2.4(15) no . . .
C8a C7a C8b C8a 0.0(6) no . . .
C8b C7a C8a N4a 94(4) no . . .
C8b C7a C8a C6b 118(4) no . . .
C8b C7a C8a C7b -175(4) no . . .
N4a C7b C8a N4a -0.0(2) no . . .
N4a C7b C8a C6b 41.4(6) no . . .
N4a C7b C8a C7a -113.8(7) no . . .
N4a C7b C8a C8b -115.6(12) no . . .
N4a C7b C8b N4b -23.3(15) no . . .
N4a C7b C8b C7a -119.3(19) no . . .
N4a C7b C8b C8a 56.0(17) no . . .
C6b C7b C8a N4a -41.4(7) no . . .
C6b C7b C8a C6b 0.0(5) no . . .
C6b C7b C8a C7a -155.2(8) no . . .
C6b C7b C8a C8b -157.0(12) no . . .
C6b C7b C8b N4b -53(2) no . . .
C6b C7b C8b C7a -148.6(19) no . . .
C6b C7b C8b C8a 26.7(15) no . . .
C7a C7b C8a N4a 113.8(8) no . . .
C7a C7b C8a C6b 155.2(7) no . . .
C7a C7b C8a C7a 0.0(4) no . . .
C7a C7b C8a C8b -1.7(8) no . . .
C8a C7b C8b N4b -79(3) no . . .
C8a C7b C8b C7a -175(3) no . . .
C8a C7b C8b C8a -0.0(12) no . . .
C8b C7b C8a N4a 115.6(15) no . . .
C8b C7b C8a C6b 157.0(14) no . . .
C8b C7b C8a C7a 1.7(12) no . . .
C8b C7b C8a C8b -0.0(9) no . . .
N4a C8a C8b N4b 12.2(17) no . . .
N4a C8a C8b C6a 42(3) no . . .
N4a C8a C8b C7a -94(3) no . . .
N4a C8a C8b C7b -99.4(15) no . . .
C6b C8a C8b N4b 5(5) no . . .
C6b C8a C8b C6a 36(6) no . . .
C6b C8a C8b C7a -100(4) no . . .
C6b C8a C8b C7b -106(4) no . . .
C7b C8a C8b N4b 112(3) no . . .
C7b C8a C8b C6a 142(3) no . . .
C7b C8a C8b C7a 6(4) no . . .
C7b C8a C8b C7b 0.0(18) no . . .
N3b C9a C10 N1a -68.8(11) no . . .
N3b C9a C10 N3b -0.0(10) no . . .
N3b C9a C10 C4b -113.6(10) no . . .
N4a C9a C10 N1a -56.8(7) no . . .
N4a C9a C10 N3b 12.0(4) no . . .
N4a C9a C10 C4b -101.6(6) no . . .
C6b C9a C10 N1a -88(4) no . . .
C6b C9a C10 N3b -19(4) no . . .
C6b C9a C10 C4b -133(4) no . . .
N1a C11a C12a S1 170.7(5) no . . .
N1a C11a C14b N1a 0.0(2) no . . .
N1a C11a C14b N2b 1.4(6) no . . .
N2b C11a C12a S1 -156.6(6) no . . .
N2b C11a C14b N1a -1.4(8) no . . .
N2b C11a C14b N2b 0.0(5) no . . .
C12a C11a C14b N1a -109.3(9) no . . .
C12a C11a C14b N2b -107.9(9) no . . .
C14b C11a C12a S1 -98.3(13) no . . .
N1b C11b C12b S1 -170.6(12) no . . 2_655
N1b C11b C14a N1b -0.0(7) no . . .
N1b C11b C14a N2a -1.7(10) no . . .
N2a C11b C12b S1 156.2(10) no . . 2_655
N2a C11b C14a N1b 1.7(8) no . . .
N2a C11b C14a N2a -0.0(3) no . . .
C12b C11b C14a N1b 110.0(17) no . . .
C12b C11b C14a N2a 108.3(14) no . . .
C14a C11b C12b S1 100.3(16) no . . 2_655
N3a C15a C16a S2 170.4(5) no . . .
N3a C15a C18b N3a -0.0(3) no . . .
N3a C15a C18b N4b 0.5(8) no . . .
N4b C15a C16a S2 -156.3(6) no . . .
N4b C15a C18b N3a -0.5(10) no . . .
N4b C15a C18b N4b 0.0(6) no . . .
C16a C15a C18b N3a -108.8(8) no . . .
C16a C15a C18b N4b -108.3(10) no . . .
C18b C15a C16a S2 -100.5(11) no . . .
N3b C15b C16b S2 -169.8(12) no . . 2_655
N3b C15b C18a N3b -0.0(6) no . . .
N3b C15b C18a N4a -3.6(9) no . . .
N3b C15b C18a C6b 29.3(8) no . . .
N4a C15b C16b S2 154.7(10) no . . 2_655
N4a C15b C18a N3b 3.6(7) no . . .
N4a C15b C18a N4a 0.0(2) no . . .
N4a C15b C18a C6b 33.0(3) no . . .
C16b C15b C18a N3b 111.6(19) no . . .
C16b C15b C18a N4a 108.0(16) no . . .
C16b C15b C18a C6b 141.0(16) no . . .
C18a C15b C16b S2 97(2) no . . 2_655
S3 C19a C19b S3 0.00(6) no . . .
S3 C19a C19b F1 123.8(7) no . . .
S3 C19a C19b F2 -124.6(5) no . . .
S3 C19a C19b O3a -0.5(11) no . . .
F1 C19a C19b S3 -123.8(8) no . . .
F1 C19a C19b F1 0.00(18) no . . .
F1 C19a C19b F2 111.6(7) no . . .
F1 C19a C19b O3a -124.3(16) no . . .
F2 C19a C19b S3 124.6(6) no . . .
F2 C19a C19b F1 -111.6(7) no . . .
F2 C19a C19b F2 0.00(15) no . . .
F2 C19a C19b O3a 124.1(14) no . . .
O3b C19a C19b S3 -1.5(13) no . . .
O3b C19a C19b F1 122.3(12) no . . .
O3b C19a C19b F2 -126.1(12) no . . .
O3b C19a C19b O3a -2(3) no . . .
