#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/46/4324670.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_4324670
loop_
_publ_author_name
'Atsushi Kobayashi'
'Yui Suzuki'
'Tadashi Ohba'
'Shin-ichiro Noro'
'Ho-Chol Chang'
'Masako Kato'
_publ_contact_author_email       akoba@sci.hokudai.ac.jp
_publ_contact_author_fax         +81-11-706-3447
_publ_contact_author_name        'Atsushi Kobayashi'
_publ_contact_author_phone       +81-11-706-3819
_publ_section_title
;
 Ln-Co-Based Rock-Salt-Type Porous Coordination Polymers: Vapor Response
 Controlled by Changing the Lanthanide Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2061
_journal_page_last               2063
_journal_paper_doi               10.1021/ic102361d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C36 H18 Co Gd N6 O12 '
_chemical_formula_sum            'C36 H18 Co Gd N6 O12'
_chemical_formula_weight         942.75
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.9966(7)
_cell_length_b                   17.9966(7)
_cell_length_c                   17.9966(7)
_cell_measurement_reflns_used    4949
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5828.7(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11901
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_description       block
_exptl_crystal_F_000             1852.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.97
_refine_diff_density_min         -1.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.234
_refine_ls_number_parameters     31
_refine_ls_number_reflns         390
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1977P)²+8.4766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2385
_reflns_number_gt                390
_reflns_number_total             390
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic102361d_si_002_1.cif
_cod_data_source_block           '__Gd[Co(dcbpy)3]'
_cod_original_formula_sum        'C36 H18 Co Gd N6 O12 '
_cod_database_code               4324670
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 +Y,+Z,+X
3 +Z,+X,+Y
4 +X,+Y,-Z
5 +Y,+Z,-X
6 +Z,+X,-Y
7 +Y,-Z,-X
8 +Z,-X,-Y
9 -Z,+X,-Y
10 -X,+Y,-Z
11 -Y,+Z,-X
12 +X,-Y,-Z
13 +Y,+X,+Z
14 +Z,+Y,+X
15 +X,+Z,+Y
16 +Y,+X,-Z
17 +Z,+Y,-X
18 +X,+Z,-Y
19 -Z,+Y,-X
20 -X,+Z,-Y
21 +X,-Z,-Y
22 +Y,-X,-Z
23 +Z,-Y,-X
24 -Y,+X,-Z
25 -X,-Y,-Z
26 -Y,-Z,-X
27 -Z,-X,-Y
28 -X,-Y,+Z
29 -Y,-Z,+X
30 -Z,-X,+Y
31 -Y,+Z,+X
32 -Z,+X,+Y
33 +Z,-X,+Y
34 +X,-Y,+Z
35 +Y,-Z,+X
36 -X,+Y,+Z
37 -Y,-X,-Z
38 -Z,-Y,-X
39 -X,-Z,-Y
40 -Y,-X,+Z
41 -Z,-Y,+X
42 -X,-Z,+Y
43 +Z,-Y,+X
44 +X,-Z,+Y
45 -X,+Z,+Y
46 -Y,+X,+Z
47 -Z,+Y,+X
48 +Y,-X,+Z
49 +X,1/2+Y,1/2+Z
50 +Y,1/2+Z,1/2+X
51 +Z,1/2+X,1/2+Y
52 +X,1/2+Y,1/2-Z
53 +Y,1/2+Z,1/2-X
54 +Z,1/2+X,1/2-Y
55 +Y,1/2-Z,1/2-X
56 +Z,1/2-X,1/2-Y
57 -Z,1/2+X,1/2-Y
58 -X,1/2+Y,1/2-Z
59 -Y,1/2+Z,1/2-X
60 +X,1/2-Y,1/2-Z
61 +Y,1/2+X,1/2+Z
62 +Z,1/2+Y,1/2+X
63 +X,1/2+Z,1/2+Y
64 +Y,1/2+X,1/2-Z
65 +Z,1/2+Y,1/2-X
66 +X,1/2+Z,1/2-Y
67 -Z,1/2+Y,1/2-X
68 -X,1/2+Z,1/2-Y
69 +X,1/2-Z,1/2-Y
70 +Y,1/2-X,1/2-Z
71 +Z,1/2-Y,1/2-X
72 -Y,1/2+X,1/2-Z
73 -X,1/2-Y,1/2-Z
74 -Y,1/2-Z,1/2-X
75 -Z,1/2-X,1/2-Y
76 -X,1/2-Y,1/2+Z
77 -Y,1/2-Z,1/2+X
78 -Z,1/2-X,1/2+Y
79 -Y,1/2+Z,1/2+X
80 -Z,1/2+X,1/2+Y
81 +Z,1/2-X,1/2+Y
82 +X,1/2-Y,1/2+Z
83 +Y,1/2-Z,1/2+X
84 -X,1/2+Y,1/2+Z
85 -Y,1/2-X,1/2-Z
86 -Z,1/2-Y,1/2-X
87 -X,1/2-Z,1/2-Y
88 -Y,1/2-X,1/2+Z
89 -Z,1/2-Y,1/2+X
90 -X,1/2-Z,1/2+Y
91 +Z,1/2-Y,1/2+X
92 +X,1/2-Z,1/2+Y
93 -X,1/2+Z,1/2+Y
94 -Y,1/2+X,1/2+Z
95 -Z,1/2+Y,1/2+X
96 +Y,1/2-X,1/2+Z
97 1/2+X,+Y,1/2+Z
98 1/2+Y,+Z,1/2+X
99 1/2+Z,+X,1/2+Y
100 1/2+X,+Y,1/2-Z
101 1/2+Y,+Z,1/2-X
102 1/2+Z,+X,1/2-Y
103 1/2+Y,-Z,1/2-X
104 1/2+Z,-X,1/2-Y
105 1/2-Z,+X,1/2-Y
106 1/2-X,+Y,1/2-Z
107 1/2-Y,+Z,1/2-X
108 1/2+X,-Y,1/2-Z
109 1/2+Y,+X,1/2+Z
110 1/2+Z,+Y,1/2+X
111 1/2+X,+Z,1/2+Y
112 1/2+Y,+X,1/2-Z
113 1/2+Z,+Y,1/2-X
114 1/2+X,+Z,1/2-Y
115 1/2-Z,+Y,1/2-X
116 1/2-X,+Z,1/2-Y
117 1/2+X,-Z,1/2-Y
118 1/2+Y,-X,1/2-Z
119 1/2+Z,-Y,1/2-X
120 1/2-Y,+X,1/2-Z
121 1/2-X,-Y,1/2-Z
122 1/2-Y,-Z,1/2-X
123 1/2-Z,-X,1/2-Y
124 1/2-X,-Y,1/2+Z
125 1/2-Y,-Z,1/2+X
126 1/2-Z,-X,1/2+Y
127 1/2-Y,+Z,1/2+X
128 1/2-Z,+X,1/2+Y
129 1/2+Z,-X,1/2+Y
130 1/2+X,-Y,1/2+Z
131 1/2+Y,-Z,1/2+X
132 1/2-X,+Y,1/2+Z
133 1/2-Y,-X,1/2-Z
134 1/2-Z,-Y,1/2-X
135 1/2-X,-Z,1/2-Y
136 1/2-Y,-X,1/2+Z
137 1/2-Z,-Y,1/2+X
138 1/2-X,-Z,1/2+Y
139 1/2+Z,-Y,1/2+X
140 1/2+X,-Z,1/2+Y
141 1/2-X,+Z,1/2+Y
142 1/2-Y,+X,1/2+Z
143 1/2-Z,+Y,1/2+X
144 1/2+Y,-X,1/2+Z
145 1/2+X,1/2+Y,+Z
146 1/2+Y,1/2+Z,+X
147 1/2+Z,1/2+X,+Y
148 1/2+X,1/2+Y,-Z
149 1/2+Y,1/2+Z,-X
150 1/2+Z,1/2+X,-Y
151 1/2+Y,1/2-Z,-X
152 1/2+Z,1/2-X,-Y
153 1/2-Z,1/2+X,-Y
154 1/2-X,1/2+Y,-Z
155 1/2-Y,1/2+Z,-X
156 1/2+X,1/2-Y,-Z
157 1/2+Y,1/2+X,+Z
158 1/2+Z,1/2+Y,+X
159 1/2+X,1/2+Z,+Y
160 1/2+Y,1/2+X,-Z
161 1/2+Z,1/2+Y,-X
162 1/2+X,1/2+Z,-Y
163 1/2-Z,1/2+Y,-X
164 1/2-X,1/2+Z,-Y
165 1/2+X,1/2-Z,-Y
166 1/2+Y,1/2-X,-Z
167 1/2+Z,1/2-Y,-X
168 1/2-Y,1/2+X,-Z
169 1/2-X,1/2-Y,-Z
170 1/2-Y,1/2-Z,-X
171 1/2-Z,1/2-X,-Y
172 1/2-X,1/2-Y,+Z
173 1/2-Y,1/2-Z,+X
174 1/2-Z,1/2-X,+Y
175 1/2-Y,1/2+Z,+X
176 1/2-Z,1/2+X,+Y
177 1/2+Z,1/2-X,+Y
178 1/2+X,1/2-Y,+Z
179 1/2+Y,1/2-Z,+X
180 1/2-X,1/2+Y,+Z
181 1/2-Y,1/2-X,-Z
182 1/2-Z,1/2-Y,-X
183 1/2-X,1/2-Z,-Y
184 1/2-Y,1/2-X,+Z
185 1/2-Z,1/2-Y,+X
186 1/2-X,1/2-Z,+Y
187 1/2+Z,1/2-Y,+X
188 1/2+X,1/2-Z,+Y
189 1/2-X,1/2+Z,+Y
190 1/2-Y,1/2+X,+Z
191 1/2-Z,1/2+Y,+X
192 1/2+Y,1/2-X,+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
_atom_site_refinement_flags
Gd(1) Gd 0.0000 0.0000 1.0000 0.0334(7) Uani 1.00 48 d S
Co(1) Co 0.5000 0.0000 1.0000 0.0295(10) Uani 1.00 48 d S
O(1) O 0.1243(14) 0.0000 0.9429(15) 0.146(11) Uani 0.50 2 d SP
N(1) N 0.3951(10) 0.0000 1.0000 0.081(5) Uani 1.00 8 d S
C(1) C 0.158(2) 0.0000 1.0000 0.106(10) Uani 1.00 8 d S
C(2) C 0.2487(17) 0.0000 1.0000 0.091(12) Uani 1.00 8 d S
C(3) C 0.277(2) 0.065(3) 1.0000 0.134(14) Uani 0.50 2 d SP
C(4) C 0.358(2) 0.062(3) 1.0000 0.16(2) Uani 0.50 2 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Co Co 0.349 0.972
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Gd Gd -0.165 3.904
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O(1) Gd(1) O(1) 112.3(8) yes . 2_546
O(1) Gd(1) O(1) 112.3(5) yes . 3_456
O(1) Gd(1) O(1) 49.3(8) yes . 4_557
O(1) Gd(1) O(1) 67.7(8) yes . 5_546
O(1) Gd(1) O(1) 67.7(8) yes . 7_566
O(1) Gd(1) O(1) 112.3(5) yes . 8_456
O(1) Gd(1) O(1) 67.7(5) yes . 9_656
O(1) Gd(1) O(1) 180.0(8) yes . 10_557
O(1) Gd(1) O(1) 80.0(6) yes . 13_555
O(1) Gd(1) O(1) 139.3(8) yes . 14_456
O(1) Gd(1) O(1) 34.3(6) yes . 15_546
O(1) Gd(1) O(1) 100.0(6) yes . 16_557
O(1) Gd(1) O(1) 90.0(8) yes . 17_456
O(1) Gd(1) O(1) 40.7(8) yes . 19_656
O(1) Gd(1) O(1) 145.7(6) yes . 20_546
O(1) Gd(1) O(1) 34.3(6) yes . 21_566
O(1) Gd(1) O(1) 100.0(6) yes . 22_557
O(1) Gd(1) O(1) 67.7(5) yes . 27_656
O(1) Gd(1) O(1) 130.7(8) yes . 28_555
O(1) Gd(1) O(1) 112.3(8) yes . 29_566
O(1) Gd(1) O(1) 145.7(6) yes . 39_566
O(1) Gd(1) O(1) 80.0(6) yes . 40_555
O(1) Gd(1) O(1) 90.0(8) yes . 41_656
O(1) Gd(1) C(1) 24.7(6) yes . .
O(1) Gd(1) C(1) 114.7(9) yes . 2_546
O(1) Gd(1) C(1) 90.0(6) yes . 3_456
O(1) Gd(1) C(1) 65.3(9) yes . 5_546
O(1) Gd(1) C(1) 90.0(6) yes . 8_456
O(1) Gd(1) C(1) 155.3(6) yes . 10_557
O(1) Gd(1) O(1) 112.3(7) yes 2_546 3_456
O(1) Gd(1) O(1) 67.7(7) yes 2_546 4_557
O(1) Gd(1) O(1) 130.7(3) yes 2_546 5_546
O(1) Gd(1) O(1) 0(359) yes 2_546 7_566
O(1) Gd(1) O(1) 67.7(7) yes 2_546 8_456
O(1) Gd(1) O(1) 112.3(7) yes 2_546 9_656
O(1) Gd(1) O(1) 67.7(7) yes 2_546 10_557
O(1) Gd(1) O(1) 139.3(6) yes 2_546 13_555
O(1) Gd(1) O(1) 34.3(6) yes 2_546 14_456
O(1) Gd(1) O(1) 80.0(8) yes 2_546 15_546
O(1) Gd(1) O(1) 90.0(6) yes 2_546 16_557
O(1) Gd(1) O(1) 145.7(6) yes 2_546 17_456
O(1) Gd(1) O(1) 145.7(6) yes 2_546 19_656
O(1) Gd(1) O(1) 80.0(8) yes 2_546 20_546
O(1) Gd(1) O(1) 100.0(8) yes 2_546 21_566
O(1) Gd(1) O(1) 40.7(6) yes 2_546 22_557
O(1) Gd(1) O(1) 67.7(7) yes 2_546 27_656
O(1) Gd(1) O(1) 112.3(8) yes 2_546 28_555
O(1) Gd(1) O(1) 49.3(3) yes 2_546 29_566
O(1) Gd(1) O(1) 100.0(8) yes 2_546 39_566
O(1) Gd(1) O(1) 90.0(6) yes 2_546 40_555
O(1) Gd(1) O(1) 34.3(6) yes 2_546 41_656
O(1) Gd(1) C(1) 90.0(5) yes 2_546 .
O(1) Gd(1) C(1) 24.7(2) yes 2_546 2_546
O(1) Gd(1) C(1) 114.7(2) yes 2_546 3_456
O(1) Gd(1) C(1) 155.3(2) yes 2_546 5_546
O(1) Gd(1) C(1) 65.3(2) yes 2_546 8_456
O(1) Gd(1) C(1) 90.0(5) yes 2_546 10_557
O(1) Gd(1) O(1) 112.3(5) yes 3_456 4_557
O(1) Gd(1) O(1) 112.3(7) yes 3_456 5_546
O(1) Gd(1) O(1) 67.7(7) yes 3_456 7_566
O(1) Gd(1) O(1) 130.7(7) yes 3_456 8_456
O(1) Gd(1) O(1) 49.3(7) yes 3_456 9_656
O(1) Gd(1) O(1) 67.7(5) yes 3_456 10_557
O(1) Gd(1) O(1) 34.3(8) yes 3_456 13_555
O(1) Gd(1) O(1) 80.0(6) yes 3_456 14_456
O(1) Gd(1) O(1) 139.3(5) yes 3_456 15_546
O(1) Gd(1) O(1) 34.3(8) yes 3_456 16_557
O(1) Gd(1) O(1) 80.0(6) yes 3_456 17_456
O(1) Gd(1) O(1) 100.0(6) yes 3_456 19_656
O(1) Gd(1) O(1) 90.0(5) yes 3_456 20_546
O(1) Gd(1) O(1) 90.0(5) yes 3_456 21_566
O(1) Gd(1) O(1) 145.7(8) yes 3_456 22_557
O(1) Gd(1) O(1) 0(358) yes 3_456 27_656
O(1) Gd(1) O(1) 67.7(5) yes 3_456 28_555
O(1) Gd(1) O(1) 67.7(7) yes 3_456 29_566
O(1) Gd(1) O(1) 40.7(5) yes 3_456 39_566
O(1) Gd(1) O(1) 145.7(8) yes 3_456 40_555
O(1) Gd(1) O(1) 100.0(6) yes 3_456 41_656
O(1) Gd(1) C(1) 114.7(5) yes 3_456 .
O(1) Gd(1) C(1) 90.0(6) yes 3_456 2_546
O(1) Gd(1) C(1) 24.7(9) yes 3_456 3_456
O(1) Gd(1) C(1) 90.0(6) yes 3_456 5_546
O(1) Gd(1) C(1) 155.3(9) yes 3_456 8_456
O(1) Gd(1) C(1) 65.3(5) yes 3_456 10_557
O(1) Gd(1) O(1) 112.3(7) yes 4_557 5_546
O(1) Gd(1) O(1) 112.3(7) yes 4_557 7_566
O(1) Gd(1) O(1) 112.3(5) yes 4_557 8_456
O(1) Gd(1) O(1) 67.7(5) yes 4_557 9_656
O(1) Gd(1) O(1) 130.7(8) yes 4_557 10_557
O(1) Gd(1) O(1) 100.0(6) yes 4_557 13_555
O(1) Gd(1) O(1) 90.0(8) yes 4_557 14_456
O(1) Gd(1) O(1) 34.3(6) yes 4_557 15_546
O(1) Gd(1) O(1) 80.0(6) yes 4_557 16_557
O(1) Gd(1) O(1) 139.3(8) yes 4_557 17_456
O(1) Gd(1) O(1) 90.0(8) yes 4_557 19_656
O(1) Gd(1) O(1) 145.7(6) yes 4_557 20_546
O(1) Gd(1) O(1) 34.3(6) yes 4_557 21_566
O(1) Gd(1) O(1) 80.0(6) yes 4_557 22_557
O(1) Gd(1) O(1) 67.7(5) yes 4_557 27_656
O(1) Gd(1) O(1) 0(359) yes 4_557 28_555
O(1) Gd(1) O(1) 67.7(7) yes 4_557 29_566
O(1) Gd(1) O(1) 145.7(6) yes 4_557 39_566
O(1) Gd(1) O(1) 100.0(6) yes 4_557 40_555
O(1) Gd(1) O(1) 40.7(8) yes 4_557 41_656
O(1) Gd(1) C(1) 24.7(6) yes 4_557 .
O(1) Gd(1) C(1) 65.3(9) yes 4_557 2_546
O(1) Gd(1) C(1) 90.0(6) yes 4_557 3_456
O(1) Gd(1) C(1) 114.7(9) yes 4_557 5_546
O(1) Gd(1) C(1) 90.0(6) yes 4_557 8_456
O(1) Gd(1) C(1) 155.3(6) yes 4_557 10_557
O(1) Gd(1) O(1) 49.3(3) yes 5_546 7_566
O(1) Gd(1) O(1) 67.7(7) yes 5_546 8_456
O(1) Gd(1) O(1) 112.3(7) yes 5_546 9_656
O(1) Gd(1) O(1) 112.3(7) yes 5_546 10_557
O(1) Gd(1) O(1) 90.0(6) yes 5_546 13_555
O(1) Gd(1) O(1) 145.7(6) yes 5_546 14_456
O(1) Gd(1) O(1) 80.0(8) yes 5_546 15_546
O(1) Gd(1) O(1) 139.3(6) yes 5_546 16_557
O(1) Gd(1) O(1) 34.3(6) yes 5_546 17_456
O(1) Gd(1) O(1) 34.3(6) yes 5_546 19_656
O(1) Gd(1) O(1) 80.0(8) yes 5_546 20_546
O(1) Gd(1) O(1) 100.0(8) yes 5_546 21_566
O(1) Gd(1) O(1) 90.0(6) yes 5_546 22_557
O(1) Gd(1) O(1) 67.7(7) yes 5_546 27_656
O(1) Gd(1) O(1) 67.7(8) yes 5_546 28_555
O(1) Gd(1) O(1) 180.0(9) yes 5_546 29_566
O(1) Gd(1) O(1) 100.0(8) yes 5_546 39_566
O(1) Gd(1) O(1) 40.7(6) yes 5_546 40_555
O(1) Gd(1) O(1) 145.7(6) yes 5_546 41_656
O(1) Gd(1) C(1) 90.0(5) yes 5_546 .
O(1) Gd(1) C(1) 155.3(2) yes 5_546 2_546
O(1) Gd(1) C(1) 114.7(2) yes 5_546 3_456
O(1) Gd(1) C(1) 24.7(2) yes 5_546 5_546
O(1) Gd(1) C(1) 65.3(2) yes 5_546 8_456
O(1) Gd(1) C(1) 90.0(5) yes 5_546 10_557
O(1) Gd(1) O(1) 112.3(7) yes 7_566 8_456
O(1) Gd(1) O(1) 67.7(7) yes 7_566 9_656
O(1) Gd(1) O(1) 112.3(7) yes 7_566 10_557
O(1) Gd(1) O(1) 40.7(6) yes 7_566 13_555
O(1) Gd(1) O(1) 145.7(6) yes 7_566 14_456
O(1) Gd(1) O(1) 100.0(8) yes 7_566 15_546
O(1) Gd(1) O(1) 90.0(6) yes 7_566 16_557
O(1) Gd(1) O(1) 34.3(6) yes 7_566 17_456
O(1) Gd(1) O(1) 34.3(6) yes 7_566 19_656
O(1) Gd(1) O(1) 100.0(8) yes 7_566 20_546
O(1) Gd(1) O(1) 80.0(8) yes 7_566 21_566
O(1) Gd(1) O(1) 139.3(6) yes 7_566 22_557
O(1) Gd(1) O(1) 112.3(7) yes 7_566 27_656
O(1) Gd(1) O(1) 67.7(8) yes 7_566 28_555
O(1) Gd(1) O(1) 130.7(3) yes 7_566 29_566
O(1) Gd(1) O(1) 80.0(8) yes 7_566 39_566
O(1) Gd(1) O(1) 90.0(6) yes 7_566 40_555
O(1) Gd(1) O(1) 145.7(6) yes 7_566 41_656
O(1) Gd(1) C(1) 90.0(5) yes 7_566 .
O(1) Gd(1) C(1) 155.3(2) yes 7_566 2_546
O(1) Gd(1) C(1) 65.3(2) yes 7_566 3_456
O(1) Gd(1) C(1) 24.7(2) yes 7_566 5_546
O(1) Gd(1) C(1) 114.7(2) yes 7_566 8_456
O(1) Gd(1) C(1) 90.0(5) yes 7_566 10_557
O(1) Gd(1) O(1) 180.0(11) yes 8_456 9_656
O(1) Gd(1) O(1) 67.7(5) yes 8_456 10_557
O(1) Gd(1) O(1) 145.7(8) yes 8_456 13_555
O(1) Gd(1) O(1) 80.0(6) yes 8_456 14_456
O(1) Gd(1) O(1) 90.0(5) yes 8_456 15_546
O(1) Gd(1) O(1) 145.7(8) yes 8_456 16_557
O(1) Gd(1) O(1) 80.0(6) yes 8_456 17_456
O(1) Gd(1) O(1) 100.0(6) yes 8_456 19_656
O(1) Gd(1) O(1) 40.7(5) yes 8_456 20_546
O(1) Gd(1) O(1) 139.3(5) yes 8_456 21_566
O(1) Gd(1) O(1) 34.3(8) yes 8_456 22_557
O(1) Gd(1) O(1) 49.3(7) yes 8_456 27_656
O(1) Gd(1) O(1) 67.7(5) yes 8_456 28_555
O(1) Gd(1) O(1) 112.3(7) yes 8_456 29_566
O(1) Gd(1) O(1) 90.0(5) yes 8_456 39_566
O(1) Gd(1) O(1) 34.3(8) yes 8_456 40_555
O(1) Gd(1) O(1) 100.0(6) yes 8_456 41_656
O(1) Gd(1) C(1) 114.7(5) yes 8_456 .
O(1) Gd(1) C(1) 90.0(6) yes 8_456 2_546
O(1) Gd(1) C(1) 155.3(9) yes 8_456 3_456
O(1) Gd(1) C(1) 90.0(6) yes 8_456 5_546
O(1) Gd(1) C(1) 24.7(9) yes 8_456 8_456
O(1) Gd(1) C(1) 65.3(5) yes 8_456 10_557
O(1) Gd(1) O(1) 112.3(5) yes 9_656 10_557
O(1) Gd(1) O(1) 34.3(8) yes 9_656 13_555
O(1) Gd(1) O(1) 100.0(6) yes 9_656 14_456
O(1) Gd(1) O(1) 90.0(5) yes 9_656 15_546
O(1) Gd(1) O(1) 34.3(8) yes 9_656 16_557
O(1) Gd(1) O(1) 100.0(6) yes 9_656 17_456
O(1) Gd(1) O(1) 80.0(6) yes 9_656 19_656
O(1) Gd(1) O(1) 139.3(5) yes 9_656 20_546
O(1) Gd(1) O(1) 40.7(5) yes 9_656 21_566
O(1) Gd(1) O(1) 145.7(8) yes 9_656 22_557
O(1) Gd(1) O(1) 130.7(7) yes 9_656 27_656
O(1) Gd(1) O(1) 112.3(5) yes 9_656 28_555
O(1) Gd(1) O(1) 67.7(7) yes 9_656 29_566
O(1) Gd(1) O(1) 90.0(5) yes 9_656 39_566
O(1) Gd(1) O(1) 145.7(8) yes 9_656 40_555
O(1) Gd(1) O(1) 80.0(6) yes 9_656 41_656
O(1) Gd(1) C(1) 65.3(5) yes 9_656 .
O(1) Gd(1) C(1) 90.0(6) yes 9_656 2_546
O(1) Gd(1) C(1) 24.7(8) yes 9_656 3_456
O(1) Gd(1) C(1) 90.0(6) yes 9_656 5_546
O(1) Gd(1) C(1) 155.3(8) yes 9_656 8_456
O(1) Gd(1) C(1) 114.7(5) yes 9_656 10_557
O(1) Gd(1) O(1) 100.0(6) yes 10_557 13_555
O(1) Gd(1) O(1) 40.7(8) yes 10_557 14_456
O(1) Gd(1) O(1) 145.7(6) yes 10_557 15_546
O(1) Gd(1) O(1) 80.0(6) yes 10_557 16_557
O(1) Gd(1) O(1) 90.0(8) yes 10_557 17_456
O(1) Gd(1) O(1) 139.3(8) yes 10_557 19_656
O(1) Gd(1) O(1) 34.3(6) yes 10_557 20_546
O(1) Gd(1) O(1) 145.7(6) yes 10_557 21_566
O(1) Gd(1) O(1) 80.0(6) yes 10_557 22_557
O(1) Gd(1) O(1) 112.3(5) yes 10_557 27_656
O(1) Gd(1) O(1) 49.3(8) yes 10_557 28_555
O(1) Gd(1) O(1) 67.7(7) yes 10_557 29_566
O(1) Gd(1) O(1) 34.3(6) yes 10_557 39_566
O(1) Gd(1) O(1) 100.0(6) yes 10_557 40_555
O(1) Gd(1) O(1) 90.0(8) yes 10_557 41_656
O(1) Gd(1) C(1) 155.3(6) yes 10_557 .
O(1) Gd(1) C(1) 65.3(9) yes 10_557 2_546
O(1) Gd(1) C(1) 90.0(6) yes 10_557 3_456
O(1) Gd(1) C(1) 114.7(9) yes 10_557 5_546
O(1) Gd(1) C(1) 90.0(6) yes 10_557 8_456
O(1) Gd(1) C(1) 24.7(6) yes 10_557 10_557
O(1) Gd(1) O(1) 112.3(5) yes 13_555 14_456
O(1) Gd(1) O(1) 112.3(6) yes 13_555 15_546
O(1) Gd(1) O(1) 49.3(8) yes 13_555 16_557
O(1) Gd(1) O(1) 67.7(5) yes 13_555 17_456
O(1) Gd(1) O(1) 67.7(5) yes 13_555 19_656
O(1) Gd(1) O(1) 112.3(6) yes 13_555 20_546
O(1) Gd(1) O(1) 67.7(6) yes 13_555 21_566
O(1) Gd(1) O(1) 180.0(11) yes 13_555 22_557
O(1) Gd(1) O(1) 145.7(8) yes 13_555 27_656
O(1) Gd(1) O(1) 80.0(6) yes 13_555 28_555
O(1) Gd(1) O(1) 90.0(6) yes 13_555 29_566
O(1) Gd(1) O(1) 67.7(6) yes 13_555 39_566
O(1) Gd(1) O(1) 130.7(8) yes 13_555 40_555
O(1) Gd(1) O(1) 112.3(5) yes 13_555 41_656
O(1) Gd(1) C(1) 90.0(5) yes 13_555 .
O(1) Gd(1) C(1) 114.7(5) yes 13_555 2_546
O(1) Gd(1) C(1) 24.7(5) yes 13_555 3_456
O(1) Gd(1) C(1) 65.3(5) yes 13_555 5_546
O(1) Gd(1) C(1) 155.3(5) yes 13_555 8_456
O(1) Gd(1) C(1) 90.0(5) yes 13_555 10_557
O(1) Gd(1) O(1) 112.3(8) yes 14_456 15_546
O(1) Gd(1) O(1) 67.7(5) yes 14_456 16_557
O(1) Gd(1) O(1) 130.7(8) yes 14_456 17_456
O(1) Gd(1) O(1) 0(359) yes 14_456 19_656
O(1) Gd(1) O(1) 67.7(8) yes 14_456 20_546
O(1) Gd(1) O(1) 112.3(8) yes 14_456 21_566
O(1) Gd(1) O(1) 67.7(5) yes 14_456 22_557
O(1) Gd(1) O(1) 100.0(6) yes 14_456 27_656
O(1) Gd(1) O(1) 90.0(8) yes 14_456 28_555
O(1) Gd(1) O(1) 34.3(6) yes 14_456 29_566
O(1) Gd(1) O(1) 67.7(8) yes 14_456 39_566
O(1) Gd(1) O(1) 112.3(5) yes 14_456 40_555
O(1) Gd(1) O(1) 49.3(8) yes 14_456 41_656
O(1) Gd(1) C(1) 114.7(5) yes 14_456 .
O(1) Gd(1) C(1) 24.7(9) yes 14_456 2_546
O(1) Gd(1) C(1) 90.0(3) yes 14_456 3_456
O(1) Gd(1) C(1) 155.3(9) yes 14_456 5_546
O(1) Gd(1) C(1) 90.0(3) yes 14_456 8_456
O(1) Gd(1) C(1) 65.3(5) yes 14_456 10_557
O(1) Gd(1) O(1) 112.3(6) yes 15_546 16_557
O(1) Gd(1) O(1) 112.3(8) yes 15_546 17_456
O(1) Gd(1) O(1) 67.7(8) yes 15_546 19_656
O(1) Gd(1) O(1) 130.7(3) yes 15_546 20_546
O(1) Gd(1) O(1) 49.3(3) yes 15_546 21_566
O(1) Gd(1) O(1) 67.7(6) yes 15_546 22_557
O(1) Gd(1) O(1) 40.7(5) yes 15_546 27_656
O(1) Gd(1) O(1) 145.7(6) yes 15_546 28_555
O(1) Gd(1) O(1) 100.0(8) yes 15_546 29_566
O(1) Gd(1) O(1) 180.0(9) yes 15_546 39_566
O(1) Gd(1) O(1) 67.7(6) yes 15_546 40_555
O(1) Gd(1) O(1) 67.7(8) yes 15_546 41_656
O(1) Gd(1) C(1) 24.7(2) yes 15_546 .
O(1) Gd(1) C(1) 90.0(9) yes 15_546 2_546
O(1) Gd(1) C(1) 114.7(7) yes 15_546 3_456
O(1) Gd(1) C(1) 90.0(9) yes 15_546 5_546
O(1) Gd(1) C(1) 65.3(7) yes 15_546 8_456
O(1) Gd(1) C(1) 155.3(2) yes 15_546 10_557
O(1) Gd(1) O(1) 112.3(5) yes 16_557 17_456
O(1) Gd(1) O(1) 112.3(5) yes 16_557 19_656
O(1) Gd(1) O(1) 112.3(6) yes 16_557 20_546
O(1) Gd(1) O(1) 67.7(6) yes 16_557 21_566
O(1) Gd(1) O(1) 130.7(8) yes 16_557 22_557
O(1) Gd(1) O(1) 145.7(8) yes 16_557 27_656
O(1) Gd(1) O(1) 100.0(6) yes 16_557 28_555
O(1) Gd(1) O(1) 40.7(6) yes 16_557 29_566
O(1) Gd(1) O(1) 67.7(6) yes 16_557 39_566
O(1) Gd(1) O(1) 180.0(11) yes 16_557 40_555
O(1) Gd(1) O(1) 67.7(5) yes 16_557 41_656
O(1) Gd(1) C(1) 90.0(5) yes 16_557 .
O(1) Gd(1) C(1) 65.3(5) yes 16_557 2_546
O(1) Gd(1) C(1) 24.7(5) yes 16_557 3_456
O(1) Gd(1) C(1) 114.7(5) yes 16_557 5_546
O(1) Gd(1) C(1) 155.3(5) yes 16_557 8_456
O(1) Gd(1) C(1) 90.0(5) yes 16_557 10_557
O(1) Gd(1) O(1) 49.3(8) yes 17_456 19_656
O(1) Gd(1) O(1) 67.7(8) yes 17_456 20_546
O(1) Gd(1) O(1) 112.3(8) yes 17_456 21_566
O(1) Gd(1) O(1) 112.3(5) yes 17_456 22_557
O(1) Gd(1) O(1) 100.0(6) yes 17_456 27_656
O(1) Gd(1) O(1) 40.7(8) yes 17_456 28_555
O(1) Gd(1) O(1) 145.7(6) yes 17_456 29_566
O(1) Gd(1) O(1) 67.7(8) yes 17_456 39_566
O(1) Gd(1) O(1) 67.7(5) yes 17_456 40_555
O(1) Gd(1) O(1) 180.0(8) yes 17_456 41_656
O(1) Gd(1) C(1) 114.7(5) yes 17_456 .
O(1) Gd(1) C(1) 155.3(9) yes 17_456 2_546
O(1) Gd(1) C(1) 90.0(3) yes 17_456 3_456
O(1) Gd(1) C(1) 24.7(9) yes 17_456 5_546
O(1) Gd(1) C(1) 90.0(3) yes 17_456 8_456
O(1) Gd(1) C(1) 65.3(5) yes 17_456 10_557
O(1) Gd(1) O(1) 112.3(8) yes 19_656 20_546
O(1) Gd(1) O(1) 67.7(8) yes 19_656 21_566
O(1) Gd(1) O(1) 112.3(5) yes 19_656 22_557
O(1) Gd(1) O(1) 80.0(6) yes 19_656 27_656
O(1) Gd(1) O(1) 90.0(8) yes 19_656 28_555
O(1) Gd(1) O(1) 145.7(6) yes 19_656 29_566
O(1) Gd(1) O(1) 112.3(8) yes 19_656 39_566
O(1) Gd(1) O(1) 67.7(5) yes 19_656 40_555
O(1) Gd(1) O(1) 130.7(8) yes 19_656 41_656
O(1) Gd(1) C(1) 65.3(5) yes 19_656 .
O(1) Gd(1) C(1) 155.3(9) yes 19_656 2_546
O(1) Gd(1) C(1) 90.0(3) yes 19_656 3_456
O(1) Gd(1) C(1) 24.7(9) yes 19_656 5_546
O(1) Gd(1) C(1) 90.0(3) yes 19_656 8_456
O(1) Gd(1) C(1) 114.7(5) yes 19_656 10_557
O(1) Gd(1) O(1) 180.0(9) yes 20_546 21_566
O(1) Gd(1) O(1) 67.7(6) yes 20_546 22_557
O(1) Gd(1) O(1) 90.0(5) yes 20_546 27_656
O(1) Gd(1) O(1) 34.3(6) yes 20_546 28_555
O(1) Gd(1) O(1) 100.0(8) yes 20_546 29_566
O(1) Gd(1) O(1) 49.3(3) yes 20_546 39_566
O(1) Gd(1) O(1) 67.7(6) yes 20_546 40_555
O(1) Gd(1) O(1) 112.3(8) yes 20_546 41_656
O(1) Gd(1) C(1) 155.3(2) yes 20_546 .
O(1) Gd(1) C(1) 90.0(9) yes 20_546 2_546
O(1) Gd(1) C(1) 114.7(7) yes 20_546 3_456
O(1) Gd(1) C(1) 90.0(9) yes 20_546 5_546
O(1) Gd(1) C(1) 65.3(7) yes 20_546 8_456
O(1) Gd(1) C(1) 24.7(2) yes 20_546 10_557
O(1) Gd(1) O(1) 112.3(6) yes 21_566 22_557
O(1) Gd(1) O(1) 90.0(5) yes 21_566 27_656
O(1) Gd(1) O(1) 145.7(6) yes 21_566 28_555
O(1) Gd(1) O(1) 80.0(8) yes 21_566 29_566
O(1) Gd(1) O(1) 130.7(3) yes 21_566 39_566
O(1) Gd(1) O(1) 112.3(6) yes 21_566 40_555
O(1) Gd(1) O(1) 67.7(8) yes 21_566 41_656
O(1) Gd(1) C(1) 24.7(2) yes 21_566 .
O(1) Gd(1) C(1) 90.0(9) yes 21_566 2_546
O(1) Gd(1) C(1) 65.3(7) yes 21_566 3_456
O(1) Gd(1) C(1) 90.0(9) yes 21_566 5_546
O(1) Gd(1) C(1) 114.7(7) yes 21_566 8_456
O(1) Gd(1) C(1) 155.3(2) yes 21_566 10_557
O(1) Gd(1) O(1) 34.3(8) yes 22_557 27_656
O(1) Gd(1) O(1) 100.0(6) yes 22_557 28_555
O(1) Gd(1) O(1) 90.0(6) yes 22_557 29_566
O(1) Gd(1) O(1) 112.3(6) yes 22_557 39_566
O(1) Gd(1) O(1) 49.3(8) yes 22_557 40_555
O(1) Gd(1) O(1) 67.7(5) yes 22_557 41_656
O(1) Gd(1) C(1) 90.0(5) yes 22_557 .
O(1) Gd(1) C(1) 65.3(5) yes 22_557 2_546
O(1) Gd(1) C(1) 155.3(5) yes 22_557 3_456
O(1) Gd(1) C(1) 114.7(5) yes 22_557 5_546
O(1) Gd(1) C(1) 24.7(5) yes 22_557 8_456
O(1) Gd(1) C(1) 90.0(5) yes 22_557 10_557
O(1) Gd(1) O(1) 112.3(5) yes 27_656 28_555
O(1) Gd(1) O(1) 112.3(7) yes 27_656 29_566
O(1) Gd(1) O(1) 139.3(5) yes 27_656 39_566
O(1) Gd(1) O(1) 34.3(8) yes 27_656 40_555
O(1) Gd(1) O(1) 80.0(6) yes 27_656 41_656
O(1) Gd(1) C(1) 65.3(5) yes 27_656 .
O(1) Gd(1) C(1) 90.0(6) yes 27_656 2_546
O(1) Gd(1) C(1) 155.3(8) yes 27_656 3_456
O(1) Gd(1) C(1) 90.0(6) yes 27_656 5_546
O(1) Gd(1) C(1) 24.7(8) yes 27_656 8_456
O(1) Gd(1) C(1) 114.7(5) yes 27_656 10_557
O(1) Gd(1) O(1) 112.3(8) yes 28_555 29_566
O(1) Gd(1) O(1) 34.3(6) yes 28_555 39_566
O(1) Gd(1) O(1) 80.0(6) yes 28_555 40_555
O(1) Gd(1) O(1) 139.3(8) yes 28_555 41_656
O(1) Gd(1) C(1) 155.3(6) yes 28_555 .
O(1) Gd(1) C(1) 114.7(9) yes 28_555 2_546
O(1) Gd(1) C(1) 90.0(6) yes 28_555 3_456
O(1) Gd(1) C(1) 65.3(9) yes 28_555 5_546
O(1) Gd(1) C(1) 90.0(6) yes 28_555 8_456
O(1) Gd(1) C(1) 24.7(6) yes 28_555 10_557
O(1) Gd(1) O(1) 80.0(8) yes 29_566 39_566
O(1) Gd(1) O(1) 139.3(6) yes 29_566 40_555
O(1) Gd(1) O(1) 34.3(6) yes 29_566 41_656
O(1) Gd(1) C(1) 90.0(5) yes 29_566 .
O(1) Gd(1) C(1) 24.7(2) yes 29_566 2_546
O(1) Gd(1) C(1) 65.3(2) yes 29_566 3_456
O(1) Gd(1) C(1) 155.3(2) yes 29_566 5_546
O(1) Gd(1) C(1) 114.7(2) yes 29_566 8_456
O(1) Gd(1) C(1) 90.0(5) yes 29_566 10_557
O(1) Gd(1) O(1) 112.3(6) yes 39_566 40_555
O(1) Gd(1) O(1) 112.3(8) yes 39_566 41_656
O(1) Gd(1) C(1) 155.3(2) yes 39_566 .
O(1) Gd(1) C(1) 90.0(9) yes 39_566 2_546
O(1) Gd(1) C(1) 65.3(7) yes 39_566 3_456
O(1) Gd(1) C(1) 90.0(9) yes 39_566 5_546
O(1) Gd(1) C(1) 114.7(7) yes 39_566 8_456
O(1) Gd(1) C(1) 24.7(2) yes 39_566 10_557
O(1) Gd(1) O(1) 112.3(5) yes 40_555 41_656
O(1) Gd(1) C(1) 90.0(5) yes 40_555 .
O(1) Gd(1) C(1) 114.7(5) yes 40_555 2_546
O(1) Gd(1) C(1) 155.3(5) yes 40_555 3_456
O(1) Gd(1) C(1) 65.3(5) yes 40_555 5_546
O(1) Gd(1) C(1) 24.7(5) yes 40_555 8_456
O(1) Gd(1) C(1) 90.0(5) yes 40_555 10_557
O(1) Gd(1) C(1) 65.3(5) yes 41_656 .
O(1) Gd(1) C(1) 24.7(9) yes 41_656 2_546
O(1) Gd(1) C(1) 90.0(3) yes 41_656 3_456
O(1) Gd(1) C(1) 155.3(9) yes 41_656 5_546
O(1) Gd(1) C(1) 90.0(3) yes 41_656 8_456
O(1) Gd(1) C(1) 114.7(5) yes 41_656 10_557
C(1) Gd(1) C(1) 90.0(7) yes . 2_546
C(1) Gd(1) C(1) 90.0(7) yes . 3_456
C(1) Gd(1) C(1) 90.0(7) yes . 5_546
C(1) Gd(1) C(1) 90.0(7) yes . 8_456
C(1) Gd(1) C(1) 180(254) yes . 10_557
C(1) Gd(1) C(1) 90.0000 yes 2_546 3_456
C(1) Gd(1) C(1) 180.0(10) yes 2_546 5_546
C(1) Gd(1) C(1) 90.0000 yes 2_546 8_456
C(1) Gd(1) C(1) 90.0(7) yes 2_546 10_557
C(1) Gd(1) C(1) 90.0000 yes 3_456 5_546
C(1) Gd(1) C(1) 0(253) yes 3_456 8_456
C(1) Gd(1) C(1) 90.0(7) yes 3_456 10_557
C(1) Gd(1) C(1) 90.0000 yes 5_546 8_456
C(1) Gd(1) C(1) 90.0(7) yes 5_546 10_557
C(1) Gd(1) C(1) 90.0(7) yes 8_456 10_557
N(1) Co(1) N(1) 180.0000 yes . 10_657
N(1) Co(1) N(1) 90.0(5) yes . 98_545
N(1) Co(1) N(1) 90.0(5) yes . 101_546
N(1) Co(1) N(1) 90.0(5) yes . 147_446
N(1) Co(1) N(1) 90.0(5) yes . 152_456
N(1) Co(1) N(1) 90.0(5) yes 10_657 98_545
N(1) Co(1) N(1) 90.0(5) yes 10_657 101_546
N(1) Co(1) N(1) 90.0(5) yes 10_657 147_446
N(1) Co(1) N(1) 90.0(5) yes 10_657 152_456
N(1) Co(1) N(1) 180.0(7) yes 98_545 101_546
N(1) Co(1) N(1) 90.0000 yes 98_545 147_446
N(1) Co(1) N(1) 90.0000 yes 98_545 152_456
N(1) Co(1) N(1) 90.0000 yes 101_546 147_446
N(1) Co(1) N(1) 90.0000 yes 101_546 152_456
N(1) Co(1) N(1) 180.0(7) yes 147_446 152_456
Gd(1) O(1) O(1) 72.8(13) yes . 15_546
Gd(1) O(1) O(1) 69.7(12) yes . 19_656
Gd(1) O(1) O(1) 72.8(13) yes . 21_566
Gd(1) O(1) C(1) 96(2) yes . .
O(1) O(1) O(1) 120.0(15) yes 15_546 19_656
O(1) O(1) O(1) 90.0(18) yes 15_546 21_566
O(1) O(1) C(1) 52.5(14) yes 15_546 .
O(1) O(1) O(1) 120.0(15) yes 19_656 21_566
O(1) O(1) C(1) 166(2) yes 19_656 .
O(1) O(1) C(1) 52.5(14) yes 21_566 .
Co(1) N(1) C(4) 120.9(19) yes . .
Co(1) N(1) C(4) 120.9(19) yes . 12_557
Co(1) N(1) C(4) 120.9(15) yes . 15_546
Co(1) N(1) C(4) 120.9(15) yes . 18_546
C(4) N(1) C(4) 118(2) yes . 12_557
C(4) N(1) C(4) 75(2) yes . 15_546
C(4) N(1) C(4) 75(2) yes . 18_546
C(4) N(1) C(4) 75(2) yes 12_557 15_546
C(4) N(1) C(4) 75(2) yes 12_557 18_546
C(4) N(1) C(4) 118(2) yes 15_546 18_546
Gd(1) C(1) O(1) 59.5(19) yes . .
Gd(1) C(1) O(1) 59.5(19) yes . 4_557
Gd(1) C(1) O(1) 59.5(18) yes . 15_546
Gd(1) C(1) O(1) 59.5(18) yes . 21_566
Gd(1) C(1) C(2) 0(180) yes . .
O(1) C(1) O(1) 119(3) yes . 4_557
O(1) C(1) O(1) 75.0(19) yes . 15_546
O(1) C(1) O(1) 75.0(19) yes . 21_566
O(1) C(1) C(2) 120.5(19) yes . .
O(1) C(1) O(1) 75.0(19) yes 4_557 15_546
O(1) C(1) O(1) 75.0(19) yes 4_557 21_566
O(1) C(1) C(2) 120.5(19) yes 4_557 .
O(1) C(1) O(1) 119(3) yes 15_546 21_566
O(1) C(1) C(2) 120.5(18) yes 15_546 .
O(1) C(1) C(2) 120.5(18) yes 21_566 .
C(1) C(2) C(3) 114(2) yes . .
C(1) C(2) C(3) 114(2) yes . 12_557
C(1) C(2) C(3) 113.5(19) yes . 15_546
C(1) C(2) C(3) 113.5(19) yes . 18_546
C(3) C(2) C(3) 133(3) yes . 12_557
C(3) C(2) C(3) 81(2) yes . 15_546
C(3) C(2) C(3) 81(2) yes . 18_546
C(3) C(2) C(3) 81(2) yes 12_557 15_546
C(3) C(2) C(3) 81(2) yes 12_557 18_546
C(3) C(2) C(3) 133(3) yes 15_546 18_546
C(2) C(3) C(3) 50(2) yes . 15_546
C(2) C(3) C(3) 50(2) yes . 18_546
C(2) C(3) C(4) 111(4) yes . .
C(3) C(3) C(3) 90(3) yes 15_546 18_546
C(3) C(3) C(4) 89(2) yes 15_546 .
C(3) C(3) C(4) 89(2) yes 18_546 .
N(1) C(4) C(3) 123(4) yes . .
N(1) C(4) C(4) 53(2) yes . 15_546
N(1) C(4) C(4) 53(2) yes . 18_546
C(3) C(4) C(4) 91(2) yes . 15_546
C(3) C(4) C(4) 91(2) yes . 18_546
C(4) C(4) C(4) 90(3) yes 15_546 18_546
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
Gd(1) O(1) 2.46(2) yes .
Gd(1) O(1) 2.46(2) yes 2_546
Gd(1) O(1) 2.462(10) yes 3_456
Gd(1) O(1) 2.46(2) yes 4_557
Gd(1) O(1) 2.46(2) yes 5_546
Gd(1) O(1) 2.46(2) yes 7_566
Gd(1) O(1) 2.462(10) yes 8_456
Gd(1) O(1) 2.462(10) yes 9_656
Gd(1) O(1) 2.46(2) yes 10_557
Gd(1) O(1) 2.462(11) yes 13_555
Gd(1) O(1) 2.46(2) yes 14_456
Gd(1) O(1) 2.46(2) yes 15_546
Gd(1) O(1) 2.462(11) yes 16_557
Gd(1) O(1) 2.46(2) yes 17_456
Gd(1) O(1) 2.46(2) yes 19_656
Gd(1) O(1) 2.46(2) yes 20_546
Gd(1) O(1) 2.46(2) yes 21_566
Gd(1) O(1) 2.462(11) yes 22_557
Gd(1) O(1) 2.462(10) yes 27_656
Gd(1) O(1) 2.46(2) yes 28_555
Gd(1) O(1) 2.46(2) yes 29_566
Gd(1) O(1) 2.46(2) yes 39_566
Gd(1) O(1) 2.462(11) yes 40_555
Gd(1) O(1) 2.46(2) yes 41_656
Gd(1) C(1) 2.84(3) yes .
Gd(1) C(1) 2.8435(2) yes 2_546
Gd(1) C(1) 2.8435(2) yes 3_456
Gd(1) C(1) 2.8435(2) yes 5_546
Gd(1) C(1) 2.8435(2) yes 8_456
Gd(1) C(1) 2.84(3) yes 10_557
Co(1) N(1) 1.888(17) yes .
Co(1) N(1) 1.888(17) yes 10_657
Co(1) N(1) 1.88784(8) yes 98_545
Co(1) N(1) 1.88784(8) yes 101_546
Co(1) N(1) 1.88784(8) yes 147_446
Co(1) N(1) 1.88784(8) yes 152_456
O(1) O(1) 1.45(2) yes 15_546
O(1) O(1) 1.71(3) yes 19_656
O(1) O(1) 1.45(2) yes 21_566
O(1) C(1) 1.19(3) yes .
N(1) C(4) 1.30(5) yes .
N(1) C(4) 1.30(5) yes 12_557
N(1) C(4) 1.30(2) yes 15_546
N(1) C(4) 1.30(2) yes 18_546
C(1) C(2) 1.63(4) yes .
C(2) C(3) 1.28(5) yes .
C(2) C(3) 1.28(5) yes 12_557
C(2) C(3) 1.276(19) yes 15_546
C(2) C(3) 1.276(19) yes 18_546
C(3) C(3) 1.65(5) yes 15_546
C(3) C(3) 1.65(5) yes 18_546
C(3) C(4) 1.46(5) yes .
C(4) C(4) 1.58(5) yes 15_546
C(4) C(4) 1.58(5) yes 18_546
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Co(1) C(4) 2.79(3) 20_646
Co(1) C(4) 2.79(3) 25_657
Co(1) C(4) 2.79(3) 42_666
Co(1) C(4) 2.788(14) 107_546
Co(1) C(4) 2.79(2) 110_455
Co(1) C(4) 2.79(2) 113_456
Co(1) C(4) 2.79(2) 119_456
Co(1) C(4) 2.788(14) 125_565
Co(1) C(4) 2.79(2) 137_655
Co(1) C(4) 2.79(4) 150_446
Co(1) C(4) 2.79(5) 157_545
Co(1) C(4) 2.79(5) 166_557
Co(1) C(4) 2.79(5) 168_547
Co(1) C(4) 2.79(4) 174_656
Co(1) C(4) 2.79(5) 181_557
N(1) C(4) 2.670(11) 107_546
N(1) C(4) 3.37(2) 110_455
N(1) C(4) 3.37(2) 113_456
N(1) C(4) 3.37(2) 119_456
N(1) C(4) 2.670(11) 125_565
N(1) C(4) 3.37(2) 137_655
N(1) C(4) 3.37(4) 150_446
N(1) C(4) 2.67(5) 168_547
N(1) C(4) 3.37(4) 174_656
N(1) C(4) 2.67(5) 181_557
C(3) C(4) 3.21(5) 181_557
C(4) C(3) 3.21(7) 181_557
C(4) C(4) 3.14(3) 107_546
C(4) C(4) 3.14(3) 125_565
C(4) C(4) 3.14(5) 174_656
C(4) C(4) 2.04(6) 181_557
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O(1) Gd(1) O(1) C(1) 101(2) . 2_546 2_546
O(1) Gd(1) O(1) C(1) -26.8(3) 2_546 . .
O(1) Gd(1) O(1) O(1) 20.9(11) 2_546 . 15_546
O(1) Gd(1) O(1) O(1) 153.2(3) 2_546 . 19_656
O(1) Gd(1) O(1) O(1) -74.6(10) 2_546 . 21_566
O(1) Gd(1) O(1) C(1) -26.8(17) . 3_456 3_456
O(1) Gd(1) O(1) C(1) 100.9(7) 3_456 . .
O(1) Gd(1) O(1) O(1) 148.6(11) 3_456 . 15_546
O(1) Gd(1) O(1) O(1) -79.1(7) 3_456 . 19_656
O(1) Gd(1) O(1) O(1) 53.1(13) 3_456 . 21_566
O(1) Gd(1) O(1) O(1) -47.7(10) . 4_557 15_546
O(1) Gd(1) O(1) O(1) 47.7(10) . 4_557 21_566
O(1) Gd(1) O(1) O(1) 47.7(10) 4_557 . 15_546
O(1) Gd(1) O(1) O(1) -47.7(10) 4_557 . 21_566
O(1) Gd(1) O(1) C(1) -79(2) . 5_546 5_546
O(1) Gd(1) O(1) O(1) -31.4(10) . 5_546 19_656
O(1) Gd(1) O(1) C(1) -153.2(3) 5_546 . .
O(1) Gd(1) O(1) O(1) -105.4(10) 5_546 . 15_546
O(1) Gd(1) O(1) O(1) 26.8(3) 5_546 . 19_656
O(1) Gd(1) O(1) O(1) 159.1(11) 5_546 . 21_566
O(1) Gd(1) O(1) O(1) 31.4(10) . 7_566 19_656
O(1) Gd(1) O(1) C(1) 153.2(3) 7_566 . .
O(1) Gd(1) O(1) O(1) -159.1(11) 7_566 . 15_546
O(1) Gd(1) O(1) O(1) -26.8(3) 7_566 . 19_656
O(1) Gd(1) O(1) O(1) 105.4(10) 7_566 . 21_566
O(1) Gd(1) O(1) C(1) 26.8(17) . 8_456 8_456
O(1) Gd(1) O(1) C(1) -100.9(7) 8_456 . .
O(1) Gd(1) O(1) O(1) -53.1(13) 8_456 . 15_546
O(1) Gd(1) O(1) O(1) 79.1(7) 8_456 . 19_656
O(1) Gd(1) O(1) O(1) -148.6(11) 8_456 . 21_566
O(1) Gd(1) O(1) O(1) -26.8(12) . 9_656 21_566
O(1) Gd(1) O(1) C(1) 79.1(7) 9_656 . .
O(1) Gd(1) O(1) O(1) 126.9(13) 9_656 . 15_546
O(1) Gd(1) O(1) O(1) -100.9(7) 9_656 . 19_656
O(1) Gd(1) O(1) O(1) 31.4(11) 9_656 . 21_566
O(1) Gd(1) O(1) C(1) 112.7(5) 13_555 . .
O(1) Gd(1) O(1) O(1) 160.4(12) 13_555 . 15_546
O(1) Gd(1) O(1) O(1) -67.3(5) 13_555 . 19_656
O(1) Gd(1) O(1) O(1) 64.9(11) 13_555 . 21_566
O(1) Gd(1) O(1) O(1) 47.7(10) 14_456 . 15_546
O(1) Gd(1) O(1) O(1) -47.7(10) 14_456 . 21_566
O(1) Gd(1) O(1) C(1) 47.7(11) . 15_546 .
O(1) Gd(1) O(1) C(1) -47.7(10) 15_546 . .
O(1) Gd(1) O(1) O(1) 132.3(10) 15_546 . 19_656
O(1) Gd(1) O(1) O(1) -95.5(17) 15_546 . 21_566
O(1) Gd(1) O(1) C(1) 67.3(5) 16_557 . .
O(1) Gd(1) O(1) O(1) 115.1(11) 16_557 . 15_546
O(1) Gd(1) O(1) O(1) -112.7(5) 16_557 . 19_656
O(1) Gd(1) O(1) O(1) 19.6(12) 16_557 . 21_566
O(1) Gd(1) O(1) O(1) -132.3(10) 17_456 . 15_546
O(1) Gd(1) O(1) O(1) 132.3(10) 17_456 . 21_566
O(1) Gd(1) O(1) O(1) -132.3(10) 19_656 . 15_546
O(1) Gd(1) O(1) O(1) 132.3(10) 19_656 . 21_566
O(1) Gd(1) O(1) C(1) -132.3(10) 20_546 . .
O(1) Gd(1) O(1) O(1) -84.5(17) 20_546 . 15_546
O(1) Gd(1) O(1) O(1) 47.7(10) 20_546 . 19_656
O(1) Gd(1) O(1) C(1) -47.7(11) . 21_566 .
O(1) Gd(1) O(1) C(1) 47.7(10) 21_566 . .
O(1) Gd(1) O(1) O(1) 95.5(17) 21_566 . 15_546
O(1) Gd(1) O(1) O(1) -132.3(10) 21_566 . 19_656
O(1) Gd(1) O(1) C(1) -67.3(5) 22_557 . .
O(1) Gd(1) O(1) O(1) -19.6(12) 22_557 . 15_546
O(1) Gd(1) O(1) O(1) 112.7(5) 22_557 . 19_656
O(1) Gd(1) O(1) O(1) -115.1(11) 22_557 . 21_566
O(1) Gd(1) O(1) O(1) 26.8(12) . 27_656 15_546
O(1) Gd(1) O(1) C(1) -79.1(7) 27_656 . .
O(1) Gd(1) O(1) O(1) -31.4(11) 27_656 . 15_546
O(1) Gd(1) O(1) O(1) 100.9(7) 27_656 . 19_656
O(1) Gd(1) O(1) O(1) -126.9(13) 27_656 . 21_566
O(1) Gd(1) O(1) O(1) -132.3(10) 28_555 . 15_546
O(1) Gd(1) O(1) O(1) 132.3(10) 28_555 . 21_566
O(1) Gd(1) O(1) C(1) 26.8(3) 29_566 . .
O(1) Gd(1) O(1) O(1) 74.6(10) 29_566 . 15_546
O(1) Gd(1) O(1) O(1) -153.2(3) 29_566 . 19_656
O(1) Gd(1) O(1) O(1) -20.9(11) 29_566 . 21_566
O(1) Gd(1) O(1) C(1) 132.3(10) 39_566 . .
O(1) Gd(1) O(1) O(1) -47.7(10) 39_566 . 19_656
O(1) Gd(1) O(1) O(1) 84.5(17) 39_566 . 21_566
O(1) Gd(1) O(1) C(1) -112.7(5) 40_555 . .
O(1) Gd(1) O(1) O(1) -64.9(11) 40_555 . 15_546
O(1) Gd(1) O(1) O(1) 67.3(5) 40_555 . 19_656
O(1) Gd(1) O(1) O(1) -160.4(12) 40_555 . 21_566
O(1) Gd(1) O(1) O(1) 47.7(10) 41_656 . 15_546
O(1) Gd(1) O(1) O(1) -47.7(10) 41_656 . 21_566
O(1) Gd(1) C(1) O(1) -90.0(15) . . 15_546
O(1) Gd(1) C(1) O(1) 90.0(15) . . 21_566
C(1) Gd(1) O(1) O(1) 47.7(10) . . 15_546
C(1) Gd(1) O(1) O(1) -47.7(10) . . 21_566
O(1) Gd(1) C(1) O(1) -90(2) . 2_546 2_546
C(1) Gd(1) O(1) O(1) 47.7(10) 2_546 . 15_546
C(1) Gd(1) O(1) O(1) -47.7(10) 2_546 . 21_566
O(1) Gd(1) C(1) O(1) 155.3(16) . 3_456 3_456
C(1) Gd(1) O(1) C(1) 90.0(3) 3_456 . .
C(1) Gd(1) O(1) O(1) 137.7(10) 3_456 . 15_546
C(1) Gd(1) O(1) O(1) -90.0(3) 3_456 . 19_656
C(1) Gd(1) O(1) O(1) 42.3(10) 3_456 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) . 5_546 5_546
C(1) Gd(1) O(1) O(1) -132.3(10) 5_546 . 15_546
C(1) Gd(1) O(1) O(1) 132.3(10) 5_546 . 21_566
O(1) Gd(1) C(1) O(1) -155.3(16) . 8_456 8_456
C(1) Gd(1) O(1) C(1) -90.0(3) 8_456 . .
C(1) Gd(1) O(1) O(1) -42.3(10) 8_456 . 15_546
C(1) Gd(1) O(1) O(1) 90.0(3) 8_456 . 19_656
C(1) Gd(1) O(1) O(1) -137.7(10) 8_456 . 21_566
C(1) Gd(1) O(1) O(1) -132.3(10) 10_557 . 15_546
C(1) Gd(1) O(1) O(1) 132.3(10) 10_557 . 21_566
O(1) Gd(1) O(1) C(1) 100.9(14) 2_546 3_456 3_456
O(1) Gd(1) O(1) C(1) -27(2) 3_456 2_546 2_546
O(1) Gd(1) O(1) O(1) 105.4(10) 2_546 4_557 15_546
O(1) Gd(1) O(1) O(1) -159.1(11) 2_546 4_557 21_566
O(1) Gd(1) O(1) C(1) 153.2(3) 2_546 4_557 .
O(1) Gd(1) O(1) C(1) 79(2) 4_557 2_546 2_546
O(1) Gd(1) O(1) O(1) -132.3(11) 2_546 5_546 19_656
O(1) Gd(1) O(1) C(1) -79.1(14) 2_546 8_456 8_456
O(1) Gd(1) O(1) C(1) -153(2) 8_456 2_546 2_546
O(1) Gd(1) O(1) O(1) 79.1(13) 2_546 9_656 21_566
O(1) Gd(1) O(1) C(1) 27(2) 9_656 2_546 2_546
O(1) Gd(1) O(1) C(1) -153.2(3) 2_546 10_557 10_557
O(1) Gd(1) O(1) C(1) -79(2) 10_557 2_546 2_546
O(1) Gd(1) O(1) O(1) -160.4(11) 2_546 15_546 .
O(1) Gd(1) O(1) C(1) -112.7(14) 2_546 15_546 .
O(1) Gd(1) O(1) C(1) 113(2) 15_546 2_546 2_546
O(1) Gd(1) O(1) C(1) -132(2) 17_456 2_546 2_546
O(1) Gd(1) O(1) O(1) -47.7(9) 2_546 19_656 .
O(1) Gd(1) O(1) C(1) 132(2) 19_656 2_546 2_546
O(1) Gd(1) O(1) C(1) -113(2) 20_546 2_546 2_546
O(1) Gd(1) O(1) O(1) 115.1(11) 2_546 21_566 .
O(1) Gd(1) O(1) C(1) 67.3(14) 2_546 21_566 .
O(1) Gd(1) O(1) C(1) 67(2) 21_566 2_546 2_546
O(1) Gd(1) O(1) O(1) -100.9(13) 2_546 27_656 15_546
O(1) Gd(1) O(1) C(1) 153(2) 27_656 2_546 2_546
O(1) Gd(1) O(1) C(1) -101(2) 28_555 2_546 2_546
O(1) Gd(1) O(1) C(1) -67(2) 39_566 2_546 2_546
O(1) Gd(1) O(1) C(1) 48(2) 41_656 2_546 2_546
O(1) Gd(1) C(1) O(1) 155.3(2) 2_546 . .
O(1) Gd(1) C(1) O(1) -24.7(2) 2_546 . 4_557
O(1) Gd(1) C(1) O(1) 65.3(15) 2_546 . 15_546
O(1) Gd(1) C(1) O(1) -114.7(15) 2_546 . 21_566
C(1) Gd(1) O(1) C(1) 90(2) . 2_546 2_546
O(1) Gd(1) C(1) O(1) -90.0(16) 2_546 3_456 3_456
O(1) Gd(1) C(1) O(1) 90.0(16) 2_546 8_456 8_456
O(1) Gd(1) C(1) O(1) 24.7(2) 2_546 10_557 10_557
C(1) Gd(1) O(1) C(1) -90(2) 10_557 2_546 2_546
O(1) Gd(1) O(1) O(1) -148.6(11) 3_456 4_557 15_546
O(1) Gd(1) O(1) O(1) -53.1(13) 3_456 4_557 21_566
O(1) Gd(1) O(1) C(1) -100.9(7) 3_456 4_557 .
O(1) Gd(1) O(1) C(1) 26.8(17) 4_557 3_456 3_456
O(1) Gd(1) O(1) C(1) 27(2) 3_456 5_546 5_546
O(1) Gd(1) O(1) O(1) 74.6(12) 3_456 5_546 19_656
O(1) Gd(1) O(1) C(1) -100.9(14) 5_546 3_456 3_456
O(1) Gd(1) O(1) O(1) 159.1(12) 3_456 7_566 19_656
O(1) Gd(1) O(1) C(1) -79.1(14) 7_566 3_456 3_456
O(1) Gd(1) O(1) C(1) 79.1(7) 3_456 10_557 10_557
O(1) Gd(1) O(1) C(1) 153.2(17) 10_557 3_456 3_456
O(1) Gd(1) O(1) C(1) -47.7(14) 13_555 3_456 3_456
O(1) Gd(1) O(1) C(1) 112.7(15) 14_456 3_456 3_456
O(1) Gd(1) O(1) O(1) -47.7(18) 3_456 15_546 .
O(1) Gd(1) O(1) C(1) 47.7(13) 16_557 3_456 3_456
O(1) Gd(1) O(1) C(1) -112.7(15) 17_456 3_456 3_456
O(1) Gd(1) O(1) O(1) 112.7(5) 3_456 19_656 .
O(1) Gd(1) O(1) C(1) -67.3(15) 19_656 3_456 3_456
O(1) Gd(1) O(1) O(1) -132.3(12) 3_456 21_566 .
O(1) Gd(1) O(1) C(1) 132.3(14) 22_557 3_456 3_456
O(1) Gd(1) O(1) C(1) -153.2(17) 28_555 3_456 3_456
O(1) Gd(1) O(1) C(1) 79.1(14) 29_566 3_456 3_456
O(1) Gd(1) O(1) C(1) -132.3(14) 40_555 3_456 3_456
O(1) Gd(1) O(1) C(1) 67.3(15) 41_656 3_456 3_456
O(1) Gd(1) C(1) O(1) -90.0(6) 3_456 . .
O(1) Gd(1) C(1) O(1) 90.0(6) 3_456 . 4_557
O(1) Gd(1) C(1) O(1) 155(2) 3_456 2_546 2_546
C(1) Gd(1) O(1) C(1) 90.0(15) 2_546 3_456 3_456
O(1) Gd(1) C(1) O(1) -155(2) 3_456 5_546 5_546
C(1) Gd(1) O(1) C(1) -90.0(15) 5_546 3_456 3_456
O(1) Gd(1) C(1) O(1) -90.0(6) 3_456 10_557 10_557
O(1) Gd(1) O(1) C(1) -101(2) 4_557 5_546 5_546
O(1) Gd(1) O(1) O(1) -53.1(10) 4_557 5_546 19_656
O(1) Gd(1) O(1) O(1) -20.9(11) 5_546 4_557 15_546
O(1) Gd(1) O(1) O(1) 74.6(10) 5_546 4_557 21_566
O(1) Gd(1) O(1) C(1) 26.8(3) 5_546 4_557 .
O(1) Gd(1) O(1) O(1) 53.1(10) 4_557 7_566 19_656
O(1) Gd(1) O(1) O(1) -74.6(10) 7_566 4_557 15_546
O(1) Gd(1) O(1) O(1) 20.9(11) 7_566 4_557 21_566
O(1) Gd(1) O(1) C(1) -26.8(3) 7_566 4_557 .
O(1) Gd(1) O(1) C(1) -26.8(17) 4_557 8_456 8_456
O(1) Gd(1) O(1) O(1) 53.1(13) 8_456 4_557 15_546
O(1) Gd(1) O(1) O(1) 148.6(11) 8_456 4_557 21_566
O(1) Gd(1) O(1) C(1) 100.9(7) 8_456 4_557 .
O(1) Gd(1) O(1) O(1) 26.8(12) 4_557 9_656 21_566
O(1) Gd(1) O(1) O(1) -126.9(13) 9_656 4_557 15_546
O(1) Gd(1) O(1) O(1) -31.4(11) 9_656 4_557 21_566
O(1) Gd(1) O(1) C(1) -79.1(7) 9_656 4_557 .
O(1) Gd(1) O(1) O(1) 132.3(10) 10_557 4_557 15_546
O(1) Gd(1) O(1) O(1) -132.3(10) 10_557 4_557 21_566
O(1) Gd(1) O(1) O(1) -115.1(11) 13_555 4_557 15_546
O(1) Gd(1) O(1) O(1) -19.6(12) 13_555 4_557 21_566
O(1) Gd(1) O(1) C(1) -67.3(5) 13_555 4_557 .
O(1) Gd(1) O(1) O(1) 132.3(10) 14_456 4_557 15_546
O(1) Gd(1) O(1) O(1) -132.3(10) 14_456 4_557 21_566
O(1) Gd(1) O(1) O(1) -95.5(12) 4_557 15_546 .
O(1) Gd(1) O(1) C(1) -47.7(11) 4_557 15_546 .
O(1) Gd(1) O(1) O(1) 95.5(17) 15_546 4_557 21_566
O(1) Gd(1) O(1) C(1) 47.7(10) 15_546 4_557 .
O(1) Gd(1) O(1) O(1) -47.7(10) 17_456 4_557 15_546
O(1) Gd(1) O(1) O(1) 47.7(10) 17_456 4_557 21_566
O(1) Gd(1) O(1) O(1) -47.7(10) 19_656 4_557 15_546
O(1) Gd(1) O(1) O(1) 47.7(10) 19_656 4_557 21_566
O(1) Gd(1) O(1) O(1) 84.5(17) 20_546 4_557 15_546
O(1) Gd(1) O(1) C(1) 132.3(10) 20_546 4_557 .
O(1) Gd(1) O(1) O(1) 95.5(12) 4_557 21_566 .
O(1) Gd(1) O(1) C(1) 47.7(11) 4_557 21_566 .
O(1) Gd(1) O(1) O(1) -95.5(17) 21_566 4_557 15_546
O(1) Gd(1) O(1) C(1) -47.7(10) 21_566 4_557 .
O(1) Gd(1) O(1) O(1) 64.9(11) 22_557 4_557 15_546
O(1) Gd(1) O(1) O(1) 160.4(12) 22_557 4_557 21_566
O(1) Gd(1) O(1) C(1) 112.7(5) 22_557 4_557 .
O(1) Gd(1) O(1) O(1) -26.8(12) 4_557 27_656 15_546
O(1) Gd(1) O(1) O(1) 31.4(11) 27_656 4_557 15_546
O(1) Gd(1) O(1) O(1) 126.9(13) 27_656 4_557 21_566
O(1) Gd(1) O(1) C(1) 79.1(7) 27_656 4_557 .
O(1) Gd(1) O(1) O(1) 159.1(11) 29_566 4_557 15_546
O(1) Gd(1) O(1) O(1) -105.4(10) 29_566 4_557 21_566
O(1) Gd(1) O(1) C(1) -153.2(3) 29_566 4_557 .
O(1) Gd(1) O(1) O(1) -84.5(17) 39_566 4_557 21_566
O(1) Gd(1) O(1) C(1) -132.3(10) 39_566 4_557 .
O(1) Gd(1) O(1) O(1) 132.3(10) 41_656 4_557 15_546
O(1) Gd(1) O(1) O(1) -132.3(10) 41_656 4_557 21_566
O(1) Gd(1) C(1) O(1) 90.0(15) 4_557 . 15_546
O(1) Gd(1) C(1) O(1) -90.0(15) 4_557 . 21_566
C(1) Gd(1) O(1) O(1) -47.7(10) . 4_557 15_546
C(1) Gd(1) O(1) O(1) 47.7(10) . 4_557 21_566
O(1) Gd(1) C(1) O(1) -90(2) 4_557 2_546 2_546
C(1) Gd(1) O(1) O(1) 132.3(10) 2_546 4_557 15_546
C(1) Gd(1) O(1) O(1) -132.3(10) 2_546 4_557 21_566
O(1) Gd(1) C(1) O(1) -155.3(16) 4_557 3_456 3_456
C(1) Gd(1) O(1) O(1) -137.7(10) 3_456 4_557 15_546
C(1) Gd(1) O(1) O(1) -42.3(10) 3_456 4_557 21_566
C(1) Gd(1) O(1) C(1) -90.0(3) 3_456 4_557 .
O(1) Gd(1) C(1) O(1) 90(2) 4_557 5_546 5_546
C(1) Gd(1) O(1) O(1) -47.7(10) 5_546 4_557 15_546
C(1) Gd(1) O(1) O(1) 47.7(10) 5_546 4_557 21_566
O(1) Gd(1) C(1) O(1) 155.3(16) 4_557 8_456 8_456
C(1) Gd(1) O(1) O(1) 42.3(10) 8_456 4_557 15_546
C(1) Gd(1) O(1) O(1) 137.7(10) 8_456 4_557 21_566
C(1) Gd(1) O(1) C(1) 90.0(3) 8_456 4_557 .
C(1) Gd(1) O(1) O(1) 132.3(10) 10_557 4_557 15_546
C(1) Gd(1) O(1) O(1) -132.3(10) 10_557 4_557 21_566
O(1) Gd(1) O(1) O(1) -47.7(11) 5_546 7_566 19_656
O(1) Gd(1) O(1) O(1) 47.7(11) 7_566 5_546 19_656
O(1) Gd(1) O(1) C(1) 79.1(14) 5_546 8_456 8_456
O(1) Gd(1) O(1) C(1) 153(2) 8_456 5_546 5_546
O(1) Gd(1) O(1) O(1) -159.1(12) 8_456 5_546 19_656
O(1) Gd(1) O(1) O(1) -79.1(13) 5_546 9_656 21_566
O(1) Gd(1) O(1) C(1) -27(2) 9_656 5_546 5_546
O(1) Gd(1) O(1) O(1) 20.9(12) 9_656 5_546 19_656
O(1) Gd(1) O(1) C(1) -26.8(3) 5_546 10_557 10_557
O(1) Gd(1) O(1) C(1) 101(2) 10_557 5_546 5_546
O(1) Gd(1) O(1) O(1) 148.6(10) 10_557 5_546 19_656
O(1) Gd(1) O(1) O(1) 47.7(11) 13_555 5_546 19_656
O(1) Gd(1) O(1) C(1) 132(2) 14_456 5_546 5_546
O(1) Gd(1) O(1) O(1) 64.9(11) 5_546 15_546 .
O(1) Gd(1) O(1) C(1) 112.7(14) 5_546 15_546 .
O(1) Gd(1) O(1) C(1) -113(2) 15_546 5_546 5_546
O(1) Gd(1) O(1) O(1) -64.9(10) 15_546 5_546 19_656
O(1) Gd(1) O(1) O(1) 47.7(17) 16_557 5_546 19_656
O(1) Gd(1) O(1) O(1) -132.3(10) 5_546 19_656 .
O(1) Gd(1) O(1) C(1) -48(2) 19_656 5_546 5_546
O(1) Gd(1) O(1) C(1) 113(2) 20_546 5_546 5_546
O(1) Gd(1) O(1) O(1) 160.4(10) 20_546 5_546 19_656
O(1) Gd(1) O(1) O(1) -19.6(11) 5_546 21_566 .
O(1) Gd(1) O(1) C(1) -67.3(14) 5_546 21_566 .
O(1) Gd(1) O(1) C(1) -67(2) 21_566 5_546 5_546
O(1) Gd(1) O(1) O(1) -19.6(10) 21_566 5_546 19_656
O(1) Gd(1) O(1) O(1) -132.3(11) 22_557 5_546 19_656
O(1) Gd(1) O(1) O(1) 100.9(13) 5_546 27_656 15_546
O(1) Gd(1) O(1) C(1) -153(2) 27_656 5_546 5_546
O(1) Gd(1) O(1) O(1) -105.4(12) 27_656 5_546 19_656
O(1) Gd(1) O(1) C(1) 79(2) 28_555 5_546 5_546
O(1) Gd(1) O(1) O(1) 126.9(10) 28_555 5_546 19_656
O(1) Gd(1) O(1) C(1) 67(2) 39_566 5_546 5_546
O(1) Gd(1) O(1) O(1) 115.1(10) 39_566 5_546 19_656
O(1) Gd(1) O(1) O(1) -132.3(17) 40_555 5_546 19_656
O(1) Gd(1) O(1) C(1) -132(2) 41_656 5_546 5_546
O(1) Gd(1) O(1) O(1) -84.5(12) 41_656 5_546 19_656
O(1) Gd(1) C(1) O(1) 24.7(2) 5_546 . .
O(1) Gd(1) C(1) O(1) -155.3(2) 5_546 . 4_557
O(1) Gd(1) C(1) O(1) -65.3(15) 5_546 . 15_546
O(1) Gd(1) C(1) O(1) 114.7(15) 5_546 . 21_566
C(1) Gd(1) O(1) C(1) -90(2) . 5_546 5_546
C(1) Gd(1) O(1) O(1) -42.3(10) . 5_546 19_656
C(1) Gd(1) O(1) O(1) -132(2) 2_546 5_546 19_656
O(1) Gd(1) C(1) O(1) 90.0(16) 5_546 3_456 3_456
C(1) Gd(1) O(1) O(1) 47.7(14) 3_456 5_546 19_656
C(1) Gd(1) O(1) O(1) 48(2) 5_546 5_546 19_656
O(1) Gd(1) C(1) O(1) -90.0(16) 5_546 8_456 8_456
C(1) Gd(1) O(1) O(1) -132.3(14) 8_456 5_546 19_656
O(1) Gd(1) C(1) O(1) 155.3(2) 5_546 10_557 10_557
C(1) Gd(1) O(1) C(1) 90(2) 10_557 5_546 5_546
C(1) Gd(1) O(1) O(1) 137.7(10) 10_557 5_546 19_656
O(1) Gd(1) O(1) C(1) 100.9(14) 7_566 8_456 8_456
O(1) Gd(1) O(1) O(1) -74.6(12) 8_456 7_566 19_656
O(1) Gd(1) O(1) O(1) -100.9(13) 7_566 9_656 21_566
O(1) Gd(1) O(1) O(1) 105.4(12) 9_656 7_566 19_656
O(1) Gd(1) O(1) C(1) 26.8(3) 7_566 10_557 10_557
O(1) Gd(1) O(1) O(1) -148.6(10) 10_557 7_566 19_656
O(1) Gd(1) O(1) O(1) 132.3(17) 13_555 7_566 19_656
O(1) Gd(1) O(1) O(1) 19.6(11) 7_566 15_546 .
O(1) Gd(1) O(1) C(1) 67.3(14) 7_566 15_546 .
O(1) Gd(1) O(1) O(1) 19.6(10) 15_546 7_566 19_656
O(1) Gd(1) O(1) O(1) 132.3(11) 16_557 7_566 19_656
O(1) Gd(1) O(1) O(1) -95.5(12) 17_456 7_566 19_656
O(1) Gd(1) O(1) O(1) -115.1(10) 20_546 7_566 19_656
O(1) Gd(1) O(1) O(1) -64.9(11) 7_566 21_566 .
O(1) Gd(1) O(1) C(1) -112.7(14) 7_566 21_566 .
O(1) Gd(1) O(1) O(1) 64.9(10) 21_566 7_566 19_656
O(1) Gd(1) O(1) O(1) -47.7(17) 22_557 7_566 19_656
O(1) Gd(1) O(1) O(1) 79.1(13) 7_566 27_656 15_546
O(1) Gd(1) O(1) O(1) -20.9(12) 27_656 7_566 19_656
O(1) Gd(1) O(1) O(1) -126.9(10) 28_555 7_566 19_656
O(1) Gd(1) O(1) O(1) 132.3(11) 29_566 7_566 19_656
O(1) Gd(1) O(1) O(1) -160.4(10) 39_566 7_566 19_656
O(1) Gd(1) O(1) O(1) -47.7(11) 40_555 7_566 19_656
O(1) Gd(1) O(1) O(1) 84.5(12) 41_656 7_566 19_656
O(1) Gd(1) C(1) O(1) -24.7(2) 7_566 . .
O(1) Gd(1) C(1) O(1) 155.3(2) 7_566 . 4_557
O(1) Gd(1) C(1) O(1) -114.7(15) 7_566 . 15_546
O(1) Gd(1) C(1) O(1) 65.3(15) 7_566 . 21_566
C(1) Gd(1) O(1) O(1) 42.3(10) . 7_566 19_656
C(1) Gd(1) O(1) O(1) 132(2) 2_546 7_566 19_656
O(1) Gd(1) C(1) O(1) 90.0(16) 7_566 3_456 3_456
C(1) Gd(1) O(1) O(1) 132.3(14) 3_456 7_566 19_656
C(1) Gd(1) O(1) O(1) -48(2) 5_546 7_566 19_656
O(1) Gd(1) C(1) O(1) -90.0(16) 7_566 8_456 8_456
C(1) Gd(1) O(1) O(1) -47.7(14) 8_456 7_566 19_656
O(1) Gd(1) C(1) O(1) -155.3(2) 7_566 10_557 10_557
C(1) Gd(1) O(1) O(1) -137.7(10) 10_557 7_566 19_656
O(1) Gd(1) O(1) C(1) -79.1(7) 8_456 10_557 10_557
O(1) Gd(1) O(1) C(1) -153.2(17) 10_557 8_456 8_456
O(1) Gd(1) O(1) C(1) 132.3(14) 13_555 8_456 8_456
O(1) Gd(1) O(1) C(1) -112.7(15) 14_456 8_456 8_456
O(1) Gd(1) O(1) O(1) 132.3(12) 8_456 15_546 .
O(1) Gd(1) O(1) C(1) -132.3(14) 16_557 8_456 8_456
O(1) Gd(1) O(1) C(1) 112.7(15) 17_456 8_456 8_456
O(1) Gd(1) O(1) O(1) -112.7(5) 8_456 19_656 .
O(1) Gd(1) O(1) C(1) 67.3(15) 19_656 8_456 8_456
O(1) Gd(1) O(1) C(1) -47.7(13) 22_557 8_456 8_456
O(1) Gd(1) O(1) C(1) 153.2(17) 28_555 8_456 8_456
O(1) Gd(1) O(1) C(1) -100.9(14) 29_566 8_456 8_456
O(1) Gd(1) O(1) C(1) 47.7(14) 40_555 8_456 8_456
O(1) Gd(1) O(1) C(1) -67.3(15) 41_656 8_456 8_456
O(1) Gd(1) C(1) O(1) 90.0(6) 8_456 . .
O(1) Gd(1) C(1) O(1) -90.0(6) 8_456 . 4_557
O(1) Gd(1) C(1) O(1) 25(2) 8_456 2_546 2_546
C(1) Gd(1) O(1) C(1) -90.0(15) 2_546 8_456 8_456
O(1) Gd(1) C(1) O(1) -25(2) 8_456 5_546 5_546
C(1) Gd(1) O(1) C(1) 90.0(15) 5_546 8_456 8_456
O(1) Gd(1) C(1) O(1) 90.0(6) 8_456 10_557 10_557
O(1) Gd(1) O(1) C(1) 100.9(7) 9_656 10_557 10_557
O(1) Gd(1) O(1) O(1) 153.2(12) 10_557 9_656 21_566
O(1) Gd(1) O(1) O(1) -132(2) 13_555 9_656 21_566
O(1) Gd(1) O(1) O(1) 112.7(13) 14_456 9_656 21_566
O(1) Gd(1) O(1) O(1) -47.7(12) 9_656 15_546 .
O(1) Gd(1) O(1) O(1) 132(2) 16_557 9_656 21_566
O(1) Gd(1) O(1) O(1) -112.7(13) 17_456 9_656 21_566
O(1) Gd(1) O(1) O(1) 67.3(5) 9_656 19_656 .
O(1) Gd(1) O(1) O(1) -67.3(13) 19_656 9_656 21_566
O(1) Gd(1) O(1) O(1) 48(2) 22_557 9_656 21_566
O(1) Gd(1) O(1) O(1) -153.2(12) 28_555 9_656 21_566
O(1) Gd(1) O(1) O(1) 100.9(13) 29_566 9_656 21_566
O(1) Gd(1) O(1) O(1) -48(2) 40_555 9_656 21_566
O(1) Gd(1) O(1) O(1) 67.3(13) 41_656 9_656 21_566
O(1) Gd(1) C(1) O(1) -90.0(6) 9_656 . .
O(1) Gd(1) C(1) O(1) 90.0(6) 9_656 . 4_557
O(1) Gd(1) C(1) O(1) -155(2) 9_656 2_546 2_546
C(1) Gd(1) O(1) O(1) 90.0(13) 2_546 9_656 21_566
O(1) Gd(1) C(1) O(1) 155(2) 9_656 5_546 5_546
C(1) Gd(1) O(1) O(1) -90.0(13) 5_546 9_656 21_566
O(1) Gd(1) C(1) O(1) -90.0(6) 9_656 10_557 10_557
O(1) Gd(1) O(1) C(1) 67.3(5) 13_555 10_557 10_557
O(1) Gd(1) O(1) C(1) -132.3(11) 10_557 15_546 .
O(1) Gd(1) O(1) C(1) -132.3(10) 15_546 10_557 10_557
O(1) Gd(1) O(1) C(1) 112.7(5) 16_557 10_557 10_557
O(1) Gd(1) O(1) C(1) -47.7(10) 20_546 10_557 10_557
O(1) Gd(1) O(1) C(1) 132.3(11) 10_557 21_566 .
O(1) Gd(1) O(1) C(1) 132.3(10) 21_566 10_557 10_557
O(1) Gd(1) O(1) C(1) -112.7(5) 22_557 10_557 10_557
O(1) Gd(1) O(1) O(1) -153.2(12) 10_557 27_656 15_546
O(1) Gd(1) O(1) C(1) -100.9(7) 27_656 10_557 10_557
O(1) Gd(1) O(1) C(1) 153.2(3) 29_566 10_557 10_557
O(1) Gd(1) O(1) C(1) 47.7(10) 39_566 10_557 10_557
O(1) Gd(1) O(1) C(1) -67.3(5) 40_555 10_557 10_557
O(1) Gd(1) C(1) O(1) 90.0(15) 10_557 . 15_546
O(1) Gd(1) C(1) O(1) -90.0(15) 10_557 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 10_557 2_546 2_546
O(1) Gd(1) C(1) O(1) -24.7(16) 10_557 3_456 3_456
C(1) Gd(1) O(1) C(1) 90.0(3) 3_456 10_557 10_557
O(1) Gd(1) C(1) O(1) -90(2) 10_557 5_546 5_546
O(1) Gd(1) C(1) O(1) 24.7(16) 10_557 8_456 8_456
C(1) Gd(1) O(1) C(1) -90.0(3) 8_456 10_557 10_557
O(1) Gd(1) O(1) O(1) -20.9(13) 13_555 15_546 .
O(1) Gd(1) O(1) C(1) 26.8(17) 13_555 15_546 .
O(1) Gd(1) O(1) O(1) 100.9(6) 13_555 19_656 .
O(1) Gd(1) O(1) O(1) -105.4(13) 13_555 21_566 .
O(1) Gd(1) O(1) C(1) -153.2(17) 13_555 21_566 .
O(1) Gd(1) O(1) O(1) 48(2) 13_555 27_656 15_546
O(1) Gd(1) C(1) O(1) -65.3(5) 13_555 . .
O(1) Gd(1) C(1) O(1) 114.7(5) 13_555 . 4_557
O(1) Gd(1) C(1) O(1) -155.3(16) 13_555 . 15_546
O(1) Gd(1) C(1) O(1) 24.7(16) 13_555 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 13_555 3_456 3_456
O(1) Gd(1) C(1) O(1) -90(2) 13_555 8_456 8_456
O(1) Gd(1) C(1) O(1) -114.7(5) 13_555 10_557 10_557
O(1) Gd(1) O(1) O(1) -148.6(10) 14_456 15_546 .
O(1) Gd(1) O(1) C(1) -100.9(13) 14_456 15_546 .
O(1) Gd(1) O(1) O(1) 148.6(10) 14_456 21_566 .
O(1) Gd(1) O(1) C(1) 100.9(13) 14_456 21_566 .
O(1) Gd(1) O(1) O(1) -112.7(13) 14_456 27_656 15_546
O(1) Gd(1) C(1) O(1) 90.0(15) 14_456 . 15_546
O(1) Gd(1) C(1) O(1) -90.0(15) 14_456 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 14_456 2_546 2_546
O(1) Gd(1) C(1) O(1) -65.3(16) 14_456 3_456 3_456
O(1) Gd(1) C(1) O(1) -90(2) 14_456 5_546 5_546
O(1) Gd(1) C(1) O(1) 65.3(16) 14_456 8_456 8_456
O(1) Gd(1) O(1) O(1) -74.6(13) 16_557 15_546 .
O(1) Gd(1) O(1) C(1) -26.8(17) 16_557 15_546 .
O(1) Gd(1) O(1) O(1) 53.1(10) 17_456 15_546 .
O(1) Gd(1) O(1) C(1) 100.9(13) 17_456 15_546 .
O(1) Gd(1) O(1) O(1) -26.8(3) 15_546 19_656 .
O(1) Gd(1) O(1) O(1) 31.4(10) 19_656 15_546 .
O(1) Gd(1) O(1) C(1) 79.1(13) 19_656 15_546 .
O(1) Gd(1) O(1) O(1) 132.3(12) 20_546 15_546 .
O(1) Gd(1) O(1) O(1) 47.7(12) 15_546 21_566 .
O(1) Gd(1) O(1) O(1) -47.7(12) 21_566 15_546 .
O(1) Gd(1) O(1) O(1) 159.1(13) 22_557 15_546 .
O(1) Gd(1) O(1) C(1) -153.2(17) 22_557 15_546 .
O(1) Gd(1) O(1) O(1) 132.3(18) 27_656 15_546 .
O(1) Gd(1) O(1) O(1) 84.5(12) 28_555 15_546 .
O(1) Gd(1) O(1) C(1) 132.3(11) 28_555 15_546 .
O(1) Gd(1) O(1) O(1) -115.1(11) 29_566 15_546 .
O(1) Gd(1) O(1) C(1) -67.3(14) 29_566 15_546 .
O(1) Gd(1) O(1) O(1) 105.4(13) 40_555 15_546 .
O(1) Gd(1) O(1) C(1) 153.2(17) 40_555 15_546 .
O(1) Gd(1) O(1) O(1) -126.9(10) 41_656 15_546 .
O(1) Gd(1) O(1) C(1) -79.1(13) 41_656 15_546 .
O(1) Gd(1) C(1) O(1) 90.0(15) 15_546 . .
O(1) Gd(1) C(1) O(1) -90.0(15) 15_546 . 4_557
C(1) Gd(1) O(1) O(1) -47.7(11) . 15_546 .
O(1) Gd(1) C(1) O(1) -65(2) 15_546 2_546 2_546
C(1) Gd(1) O(1) O(1) -137.7(11) 2_546 15_546 .
C(1) Gd(1) O(1) C(1) -90.0(14) 2_546 15_546 .
C(1) Gd(1) O(1) O(1) -47.7(12) 3_456 15_546 .
O(1) Gd(1) C(1) O(1) 65(2) 15_546 5_546 5_546
C(1) Gd(1) O(1) O(1) 42.3(11) 5_546 15_546 .
C(1) Gd(1) O(1) C(1) 90.0(14) 5_546 15_546 .
C(1) Gd(1) O(1) O(1) 132.3(12) 8_456 15_546 .
O(1) Gd(1) C(1) O(1) 90.0(15) 15_546 10_557 10_557
C(1) Gd(1) O(1) O(1) 132.3(11) 10_557 15_546 .
O(1) Gd(1) O(1) O(1) 79.1(6) 16_557 19_656 .
O(1) Gd(1) O(1) O(1) -159.1(13) 16_557 21_566 .
O(1) Gd(1) O(1) C(1) 153.2(17) 16_557 21_566 .
O(1) Gd(1) O(1) O(1) -48(2) 16_557 27_656 15_546
O(1) Gd(1) C(1) O(1) -114.7(5) 16_557 . .
O(1) Gd(1) C(1) O(1) 65.3(5) 16_557 . 4_557
O(1) Gd(1) C(1) O(1) 155.3(16) 16_557 . 15_546
O(1) Gd(1) C(1) O(1) -24.7(16) 16_557 . 21_566
O(1) Gd(1) C(1) O(1) -90(2) 16_557 3_456 3_456
O(1) Gd(1) C(1) O(1) 90(2) 16_557 8_456 8_456
O(1) Gd(1) C(1) O(1) -65.3(5) 16_557 10_557 10_557
O(1) Gd(1) O(1) O(1) -53.1(10) 17_456 21_566 .
O(1) Gd(1) O(1) C(1) -100.9(13) 17_456 21_566 .
O(1) Gd(1) O(1) O(1) 112.7(13) 17_456 27_656 15_546
O(1) Gd(1) C(1) O(1) -90.0(15) 17_456 . 15_546
O(1) Gd(1) C(1) O(1) 90.0(15) 17_456 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 17_456 2_546 2_546
O(1) Gd(1) C(1) O(1) 65.3(16) 17_456 3_456 3_456
O(1) Gd(1) C(1) O(1) -90(2) 17_456 5_546 5_546
O(1) Gd(1) C(1) O(1) -65.3(16) 17_456 8_456 8_456
O(1) Gd(1) O(1) O(1) -153.2(3) 20_546 19_656 .
O(1) Gd(1) O(1) O(1) -31.4(10) 19_656 21_566 .
O(1) Gd(1) O(1) C(1) -79.1(13) 19_656 21_566 .
O(1) Gd(1) O(1) O(1) 26.8(3) 21_566 19_656 .
O(1) Gd(1) O(1) O(1) -79.1(6) 22_557 19_656 .
O(1) Gd(1) O(1) O(1) 67.3(13) 19_656 27_656 15_546
O(1) Gd(1) O(1) O(1) -67.3(5) 27_656 19_656 .
O(1) Gd(1) O(1) O(1) 47.7(9) 29_566 19_656 .
O(1) Gd(1) O(1) O(1) 153.2(3) 39_566 19_656 .
O(1) Gd(1) O(1) O(1) -100.9(6) 40_555 19_656 .
O(1) Gd(1) C(1) O(1) -90.0(15) 19_656 . 15_546
O(1) Gd(1) C(1) O(1) 90.0(15) 19_656 . 21_566
O(1) Gd(1) C(1) O(1) -90(2) 19_656 2_546 2_546
O(1) Gd(1) C(1) O(1) 114.7(16) 19_656 3_456 3_456
C(1) Gd(1) O(1) O(1) 90.0(6) 3_456 19_656 .
O(1) Gd(1) C(1) O(1) 90(2) 19_656 5_546 5_546
O(1) Gd(1) C(1) O(1) -114.7(16) 19_656 8_456 8_456
C(1) Gd(1) O(1) O(1) -90.0(6) 8_456 19_656 .
O(1) Gd(1) C(1) O(1) 90.0(15) 20_546 . .
O(1) Gd(1) C(1) O(1) -90.0(15) 20_546 . 4_557
O(1) Gd(1) C(1) O(1) 65(2) 20_546 2_546 2_546
O(1) Gd(1) C(1) O(1) -65(2) 20_546 5_546 5_546
O(1) Gd(1) C(1) O(1) 90.0(15) 20_546 10_557 10_557
O(1) Gd(1) O(1) O(1) 74.6(13) 22_557 21_566 .
O(1) Gd(1) O(1) C(1) 26.8(17) 22_557 21_566 .
O(1) Gd(1) O(1) O(1) 47.7(12) 27_656 21_566 .
O(1) Gd(1) O(1) O(1) -84.5(12) 28_555 21_566 .
O(1) Gd(1) O(1) C(1) -132.3(11) 28_555 21_566 .
O(1) Gd(1) O(1) O(1) 160.4(11) 29_566 21_566 .
O(1) Gd(1) O(1) C(1) 112.7(14) 29_566 21_566 .
O(1) Gd(1) O(1) O(1) -132.3(12) 39_566 21_566 .
O(1) Gd(1) O(1) O(1) 20.9(13) 40_555 21_566 .
O(1) Gd(1) O(1) C(1) -26.8(17) 40_555 21_566 .
O(1) Gd(1) O(1) O(1) 126.9(10) 41_656 21_566 .
O(1) Gd(1) O(1) C(1) 79.1(13) 41_656 21_566 .
O(1) Gd(1) C(1) O(1) -90.0(15) 21_566 . .
O(1) Gd(1) C(1) O(1) 90.0(15) 21_566 . 4_557
C(1) Gd(1) O(1) O(1) 47.7(11) . 21_566 .
O(1) Gd(1) C(1) O(1) -115(2) 21_566 2_546 2_546
C(1) Gd(1) O(1) O(1) 137.7(11) 2_546 21_566 .
C(1) Gd(1) O(1) C(1) 90.0(14) 2_546 21_566 .
C(1) Gd(1) O(1) O(1) -132.3(12) 3_456 21_566 .
O(1) Gd(1) C(1) O(1) 115(2) 21_566 5_546 5_546
C(1) Gd(1) O(1) O(1) -42.3(11) 5_546 21_566 .
C(1) Gd(1) O(1) C(1) -90.0(14) 5_546 21_566 .
C(1) Gd(1) O(1) O(1) 47.7(12) 8_456 21_566 .
O(1) Gd(1) C(1) O(1) -90.0(15) 21_566 10_557 10_557
C(1) Gd(1) O(1) O(1) -132.3(11) 10_557 21_566 .
O(1) Gd(1) O(1) O(1) -132(2) 22_557 27_656 15_546
O(1) Gd(1) C(1) O(1) 114.7(5) 22_557 . .
O(1) Gd(1) C(1) O(1) -65.3(5) 22_557 . 4_557
O(1) Gd(1) C(1) O(1) 24.7(16) 22_557 . 15_546
O(1) Gd(1) C(1) O(1) -155.3(16) 22_557 . 21_566
O(1) Gd(1) C(1) O(1) -90(2) 22_557 3_456 3_456
O(1) Gd(1) C(1) O(1) 90(2) 22_557 8_456 8_456
O(1) Gd(1) C(1) O(1) 65.3(5) 22_557 10_557 10_557
O(1) Gd(1) O(1) O(1) 153.2(12) 28_555 27_656 15_546
O(1) Gd(1) O(1) O(1) -79.1(13) 29_566 27_656 15_546
O(1) Gd(1) O(1) O(1) 132(2) 40_555 27_656 15_546
O(1) Gd(1) O(1) O(1) -67.3(13) 41_656 27_656 15_546
O(1) Gd(1) C(1) O(1) 90.0(6) 27_656 . .
O(1) Gd(1) C(1) O(1) -90.0(6) 27_656 . 4_557
O(1) Gd(1) C(1) O(1) -25(2) 27_656 2_546 2_546
C(1) Gd(1) O(1) O(1) -90.0(13) 2_546 27_656 15_546
O(1) Gd(1) C(1) O(1) 25(2) 27_656 5_546 5_546
C(1) Gd(1) O(1) O(1) 90.0(13) 5_546 27_656 15_546
O(1) Gd(1) C(1) O(1) 90.0(6) 27_656 10_557 10_557
O(1) Gd(1) C(1) O(1) -90.0(15) 28_555 . 15_546
O(1) Gd(1) C(1) O(1) 90.0(15) 28_555 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 28_555 2_546 2_546
O(1) Gd(1) C(1) O(1) 24.7(16) 28_555 3_456 3_456
O(1) Gd(1) C(1) O(1) -90(2) 28_555 5_546 5_546
O(1) Gd(1) C(1) O(1) -24.7(16) 28_555 8_456 8_456
O(1) Gd(1) C(1) O(1) -155.3(2) 29_566 . .
O(1) Gd(1) C(1) O(1) 24.7(2) 29_566 . 4_557
O(1) Gd(1) C(1) O(1) 114.7(15) 29_566 . 15_546
O(1) Gd(1) C(1) O(1) -65.3(15) 29_566 . 21_566
O(1) Gd(1) C(1) O(1) -90.0(16) 29_566 3_456 3_456
O(1) Gd(1) C(1) O(1) 90.0(16) 29_566 8_456 8_456
O(1) Gd(1) C(1) O(1) -24.7(2) 29_566 10_557 10_557
O(1) Gd(1) C(1) O(1) -90.0(15) 39_566 . .
O(1) Gd(1) C(1) O(1) 90.0(15) 39_566 . 4_557
O(1) Gd(1) C(1) O(1) 115(2) 39_566 2_546 2_546
O(1) Gd(1) C(1) O(1) -115(2) 39_566 5_546 5_546
O(1) Gd(1) C(1) O(1) -90.0(15) 39_566 10_557 10_557
O(1) Gd(1) C(1) O(1) 65.3(5) 40_555 . .
O(1) Gd(1) C(1) O(1) -114.7(5) 40_555 . 4_557
O(1) Gd(1) C(1) O(1) -24.7(16) 40_555 . 15_546
O(1) Gd(1) C(1) O(1) 155.3(16) 40_555 . 21_566
O(1) Gd(1) C(1) O(1) 90(2) 40_555 3_456 3_456
O(1) Gd(1) C(1) O(1) -90(2) 40_555 8_456 8_456
O(1) Gd(1) C(1) O(1) 114.7(5) 40_555 10_557 10_557
O(1) Gd(1) C(1) O(1) 90.0(15) 41_656 . 15_546
O(1) Gd(1) C(1) O(1) -90.0(15) 41_656 . 21_566
O(1) Gd(1) C(1) O(1) -90(2) 41_656 2_546 2_546
O(1) Gd(1) C(1) O(1) -114.7(16) 41_656 3_456 3_456
O(1) Gd(1) C(1) O(1) 90(2) 41_656 5_546 5_546
O(1) Gd(1) C(1) O(1) 114.7(16) 41_656 8_456 8_456
C(1) Gd(1) C(1) O(1) -90(2) . 2_546 2_546
C(1) Gd(1) C(1) O(1) 90.0(15) 2_546 . 15_546
C(1) Gd(1) C(1) O(1) -90.0(15) 2_546 . 21_566
C(1) Gd(1) C(1) O(1) -90.0 3_456 . .
C(1) Gd(1) C(1) O(1) 90.0 3_456 . 4_557
C(1) Gd(1) C(1) O(1) 90(2) . 5_546 5_546
C(1) Gd(1) C(1) O(1) -90.0(15) 5_546 . 15_546
C(1) Gd(1) C(1) O(1) 90.0(15) 5_546 . 21_566
C(1) Gd(1) C(1) O(1) 90.0 8_456 . .
C(1) Gd(1) C(1) O(1) -90.0 8_456 . 4_557
C(1) Gd(1) C(1) O(1) -90.0(16) 2_546 3_456 3_456
C(1) Gd(1) C(1) O(1) 90.0(16) 2_546 8_456 8_456
C(1) Gd(1) C(1) O(1) 90(2) 10_557 2_546 2_546
C(1) Gd(1) C(1) O(1) 90.0(16) 5_546 3_456 3_456
C(1) Gd(1) C(1) O(1) -90.0 3_456 10_557 10_557
C(1) Gd(1) C(1) O(1) -90.0(16) 5_546 8_456 8_456
C(1) Gd(1) C(1) O(1) -90(2) 10_557 5_546 5_546
C(1) Gd(1) C(1) O(1) 90.0 8_456 10_557 10_557
N(1) Co(1) N(1) C(4) -90.0 98_545 . .
N(1) Co(1) N(1) C(4) 90.0 98_545 . 12_557
N(1) Co(1) N(1) C(4) 90.0 101_546 . .
N(1) Co(1) N(1) C(4) -90.0 101_546 . 12_557
N(1) Co(1) N(1) C(4) -90(2) . 147_446 147_446
N(1) Co(1) N(1) C(4) 90(2) 147_446 . 15_546
N(1) Co(1) N(1) C(4) -90(2) 147_446 . 18_546
N(1) Co(1) N(1) C(4) -90(2) . 152_456 152_456
N(1) Co(1) N(1) C(4) -90(2) 152_456 . 15_546
N(1) Co(1) N(1) C(4) 90(2) 152_456 . 18_546
N(1) Co(1) N(1) C(4) 90(2) 10_657 147_446 147_446
N(1) Co(1) N(1) C(4) 90(2) 10_657 152_456 152_456
N(1) Co(1) N(1) C(4) -90(2) 147_446 98_545 98_545
N(1) Co(1) N(1) C(4) 90(2) 152_456 98_545 98_545
N(1) Co(1) N(1) C(4) 90(2) 147_446 101_546 101_546
N(1) Co(1) N(1) C(4) -90(2) 152_456 101_546 101_546
Gd(1) O(1) O(1) C(1) -111.9(19) . 15_546 .
Gd(1) O(1) O(1) C(1) 111.9(19) . 21_566 .
Gd(1) O(1) C(1) O(1) 63.1(15) . . 15_546
Gd(1) O(1) C(1) O(1) -63.1(15) . . 21_566
O(1) O(1) O(1) Gd(1) 54.7(17) 15_546 19_656 .
O(1) O(1) O(1) Gd(1) -53.3(15) 19_656 15_546 .
O(1) O(1) O(1) C(1) -165(2) 19_656 15_546 .
O(1) O(1) O(1) Gd(1) -72.0(13) 15_546 21_566 .
O(1) O(1) O(1) C(1) 40(2) 15_546 21_566 .
O(1) O(1) O(1) Gd(1) 72.0(13) 21_566 15_546 .
O(1) O(1) O(1) C(1) -40(2) 21_566 15_546 .
O(1) O(1) C(1) Gd(1) -63.1(15) 15_546 . .
O(1) O(1) C(1) C(2) 116.9(15) 15_546 . .
O(1) O(1) C(1) O(1) -63.1(15) 15_546 . 4_557
O(1) O(1) C(1) O(1) -126(2) 15_546 . 21_566
C(1) O(1) O(1) Gd(1) 111.9(19) . 15_546 .
O(1) O(1) O(1) Gd(1) 53.3(15) 19_656 21_566 .
O(1) O(1) O(1) C(1) 165(2) 19_656 21_566 .
O(1) O(1) O(1) Gd(1) -54.7(17) 21_566 19_656 .
O(1) O(1) C(1) O(1) 63.1(15) 19_656 . 15_546
O(1) O(1) C(1) O(1) -63.1(15) 19_656 . 21_566
O(1) O(1) C(1) Gd(1) 63.1(15) 21_566 . .
O(1) O(1) C(1) C(2) -116.9(15) 21_566 . .
O(1) O(1) C(1) O(1) 63.1(15) 21_566 . 4_557
O(1) O(1) C(1) O(1) 126(2) 21_566 . 15_546
C(1) O(1) O(1) Gd(1) -111.9(19) . 21_566 .
Co(1) N(1) C(4) C(4) -117.2(18) . . 15_546
Co(1) N(1) C(4) C(4) 117.2(18) . . 18_546
Co(1) N(1) C(4) C(4) 117.2(18) . 12_557 15_546
Co(1) N(1) C(4) C(4) -117.2(18) . 12_557 18_546
Co(1) N(1) C(4) C(4) 117(2) . 15_546 .
Co(1) N(1) C(4) C(4) -117(2) . 18_546 .
C(4) N(1) C(4) C(4) -62.8(18) . 12_557 15_546
C(4) N(1) C(4) C(4) 62.8(18) . 12_557 18_546
C(4) N(1) C(4) C(4) 62.8(18) 12_557 . 15_546
C(4) N(1) C(4) C(4) -62.8(18) 12_557 . 18_546
C(4) N(1) C(4) C(3) 63(4) . 15_546 15_546
C(4) N(1) C(4) C(3) -62.8(18) 15_546 . .
C(4) N(1) C(4) C(4) -126(2) 15_546 . 18_546
C(4) N(1) C(4) C(3) -63(4) . 18_546 18_546
C(4) N(1) C(4) C(3) 62.8(18) 18_546 . .
C(4) N(1) C(4) C(4) 126(2) 18_546 . 15_546
C(4) N(1) C(4) C(3) -63(4) 12_557 15_546 15_546
C(4) N(1) C(4) C(4) -126(2) 12_557 15_546 .
C(4) N(1) C(4) C(3) 62.8(18) 15_546 12_557 12_557
C(4) N(1) C(4) C(4) 126(2) 15_546 12_557 18_546
C(4) N(1) C(4) C(3) 63(4) 12_557 18_546 18_546
C(4) N(1) C(4) C(4) 126(2) 12_557 18_546 .
C(4) N(1) C(4) C(3) -62.8(18) 18_546 12_557 12_557
C(4) N(1) C(4) C(4) -126(2) 18_546 12_557 15_546
C(4) N(1) C(4) C(4) 63(3) 15_546 18_546 .
C(4) N(1) C(4) C(4) -63(3) 18_546 15_546 .
O(1) C(1) C(2) C(3) 90.0 . . .
O(1) C(1) C(2) C(3) -90.0 . . 12_557
O(1) C(1) C(2) C(3) -90.0 4_557 . .
O(1) C(1) C(2) C(3) 90.0 4_557 . 12_557
O(1) C(1) C(2) C(3) -90(3) 15_546 . 15_546
O(1) C(1) C(2) C(3) 90(3) 15_546 . 18_546
O(1) C(1) C(2) C(3) 90(3) 21_566 . 15_546
O(1) C(1) C(2) C(3) -90(3) 21_566 . 18_546
C(1) C(2) C(3) C(3) 111.8(19) . . 15_546
C(1) C(2) C(3) C(3) -111.8(19) . . 18_546
C(1) C(2) C(3) C(3) -111.8(19) . 12_557 15_546
C(1) C(2) C(3) C(3) 111.8(19) . 12_557 18_546
C(1) C(2) C(3) C(3) -112(2) . 15_546 .
C(1) C(2) C(3) C(3) 112(2) . 18_546 .
C(3) C(2) C(3) C(3) 68.2(19) . 12_557 15_546
C(3) C(2) C(3) C(3) -68.2(19) . 12_557 18_546
C(3) C(2) C(3) C(3) -68.2(19) 12_557 . 15_546
C(3) C(2) C(3) C(3) 68.2(19) 12_557 . 18_546
C(3) C(2) C(3) C(4) -68(4) . 15_546 15_546
C(3) C(2) C(3) C(4) 68.2(19) 15_546 . .
C(3) C(2) C(3) C(3) 136(3) 15_546 . 18_546
C(3) C(2) C(3) C(4) 68(4) . 18_546 18_546
C(3) C(2) C(3) C(4) -68.2(19) 18_546 . .
C(3) C(2) C(3) C(3) -136(3) 18_546 . 15_546
C(3) C(2) C(3) C(4) 68(4) 12_557 15_546 15_546
C(3) C(2) C(3) C(3) 136(3) 12_557 15_546 .
C(3) C(2) C(3) C(4) -68.2(19) 15_546 12_557 12_557
C(3) C(2) C(3) C(3) -136(3) 15_546 12_557 18_546
C(3) C(2) C(3) C(4) -68(68) 12_557 18_546 18_546
C(3) C(2) C(3) C(3) -136(136) 12_557 18_546 .
C(3) C(2) C(3) C(4) 68(68) 18_546 12_557 12_557
C(3) C(2) C(3) C(3) 136(136) 18_546 12_557 15_546
C(3) C(2) C(3) C(3) -68(4) 15_546 18_546 .
C(3) C(2) C(3) C(3) 68(4) 18_546 15_546 .
C(2) C(3) C(3) C(4) 120(3) . 15_546 15_546
C(2) C(3) C(3) C(4) -120(3) . 18_546 18_546
C(2) C(3) C(4) C(4) -45.0(19) . . 15_546
C(2) C(3) C(4) C(4) 45.0(19) . . 18_546
C(3) C(3) C(3) C(2) 32(2) 15_546 18_546 .
C(3) C(3) C(3) C(4) -88(2) 15_546 18_546 18_546
C(3) C(3) C(3) C(2) -32(2) 18_546 15_546 .
C(3) C(3) C(3) C(4) 88(2) 18_546 15_546 15_546
C(3) C(3) C(4) N(1) 45.0(18) 15_546 . .
C(3) C(3) C(4) C(4) 90(2) 15_546 . 18_546
C(4) C(3) C(3) C(2) -120(3) . 15_546 .
C(3) C(3) C(4) N(1) -45.0(18) 18_546 . .
C(3) C(3) C(4) C(4) -90(2) 18_546 . 15_546
C(4) C(3) C(3) C(2) 120(3) . 18_546 .
N(1) C(4) C(4) C(3) -132(3) . 15_546 15_546
N(1) C(4) C(4) C(3) 132(3) . 18_546 18_546
C(3) C(4) C(4) N(1) 132(3) . 15_546 .
C(3) C(4) C(4) N(1) -132(3) . 18_546 .
C(4) C(4) C(4) N(1) -40(2) 15_546 18_546 .
C(4) C(4) C(4) C(3) 92(2) 15_546 18_546 18_546
C(4) C(4) C(4) N(1) 40(2) 18_546 15_546 .
C(4) C(4) C(4) C(3) -92(2) 18_546 15_546 15_546
