#------------------------------------------------------------------------------
#$Date: 2021-02-03 12:19:58 +0200 (Wed, 03 Feb 2021) $
#$Revision: 261396 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/02/1560261.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_1560261
loop_
_publ_author_name
'Najla Mahbouli Rhouma'
'Ali Rayes'
'Francesco Mezzadri'
'Davide Delmonte'
'Riccardi Cabassi'
'Gianluca Calestani'
'Mohamed Loukil'
_publ_section_title
;
 Structural and electrical phase transitions in the
 [(C2H5)4N]2ZnI3.86Cl0.14 system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              60
_journal_page_last               66
_journal_paper_doi               10.1016/j.jssc.2017.08.029
_journal_volume                  256
_journal_year                    2017
_chemical_formula_moiety         '2(C8 H20 N), Cl0.14 I3.86 Zn'
_chemical_formula_sum            'C16 H40 Cl0.14 I3.86 N2 Zn'
_chemical_formula_weight         820.44
_chemical_name_common
;
2(C8 H20 N), Cl0.14 I3.86 Zn
;
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.718(2)
_cell_length_b                   17.893(3)
_cell_length_c                   10.5835(15)
_cell_measurement_temperature    453(1)
_cell_volume                     2976.5(8)
_diffrn_ambient_temperature      453(1)
_diffrn_detector_type            Si(Li)
_diffrn_measurement_device_type  'Thermo Xtra'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    47.821
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_F_000             1542
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.025
_pd_meas_2theta_range_max        35.000
_pd_meas_2theta_range_min        5.000
_pd_meas_number_of_points        1201
_pd_proc_2theta_range_inc        0.025
_pd_proc_2theta_range_max        35
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function  '20 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0470
_pd_proc_ls_prof_wR_expected     0.4479
_pd_proc_ls_prof_wR_factor       0.0663
_refine_ls_goodness_of_fit_all   0.15
_refine_ls_number_constraints    1
_refine_ls_number_parameters     55
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.1845
_refine_ls_R_factor_gt           0.1266
_refine_ls_shift/su_max          0.0459
_refine_ls_shift/su_mean         0.0080
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1569
_refine_ls_wR_factor_gt          0.1381
_cod_data_source_file            JSSC-2017-256-60-5.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        2976.6(7)
_cod_database_code               1560261
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 x+1/2,-y+1/2,z
4 -x+1/2,y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.2483(14) 0.9105(9) 0.250(2) Uiso 0.23(6) 4 1 d . . .
I1 I 0.3085(19) 1.0460(11) 0.268(3) Uiso 0.282(17) 4 0.965 d . . .
Cl1 Cl 0.3085(19) 1.0460(11) 0.268(3) Uiso 0.282(17) 4 0.035 d . . .
I2 I 0.2639(17) 0.8640(12) 0.019(2) Uiso 0.282(17) 4 0.965 d . . .
Cl2 Cl 0.2639(17) 0.8640(12) 0.019(2) Uiso 0.282(17) 4 0.035 d . . .
I3 I 0.332(2) 0.8232(13) 0.399(2) Uiso 0.282(17) 4 0.965 d . . .
Cl3 Cl 0.332(2) 0.8232(13) 0.399(2) Uiso 0.282(17) 4 0.035 d . . .
I4 I 0.0890(16) 0.9101(16) 0.313(4) Uiso 0.282(17) 4 0.965 d . . .
Cl4 Cl 0.0890(16) 0.9101(16) 0.313(4) Uiso 0.282(17) 4 0.035 d . . .
Tea1 Re 0.021(7) 0.204(6) 0.172(6) Uiso 2.21(13) 4 1 d . . .
Tea2 Re 0.192(5) 0.581(3) 0.229(9) Uiso 1.74(7) 4 1 d . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl 0.3639 0.7018 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
I -0.3257 6.8362 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Re -5.2083 5.8923 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Zn -1.5491 0.6778 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 I1 . . 2.61(3)
Zn1 I2 . . 2.59(4)
Zn1 I3 . . 2.58(3)
Zn1 I4 . . 2.59(4)
I1 Cl1 . . 0
I2 Cl2 . . 0
I3 Cl3 . . 0
I4 Cl4 . . 0
loop_
_pd_proc_point_id
_pd_proc_2theta_corrected
_pd_proc_intensity_net
_pd_calc_intensity_net
_pd_proc_ls_weight
1 4.9100 83.27 82.73 35.34
2 4.9350 86.33 82.84 35.99
3 4.9600 84.87 82.85 35.68
4 4.9850 80.13 82.77 34.67
5 5.0100 85.73 82.61 35.86
6 5.0350 80.27 82.38 34.70
7 5.0600 79.93 82.08 34.63
8 5.0850 81.53 81.72 34.97
9 5.1100 78.00 81.32 34.21
10 5.1350 82.73 80.88 35.23
11 5.1600 78.60 80.40 34.34
12 5.1850 77.33 79.89 34.06
13 5.2100 78.47 79.35 34.31
14 5.2350 79.13 78.80 34.45
15 5.2600 79.47 78.22 34.53
16 5.2850 79.33 77.64 34.50
17 5.3100 75.47 77.05 33.65
18 5.3350 73.07 76.45 33.11
19 5.3600 75.00 75.85 33.54
20 5.3850 79.60 75.25 34.55
21 5.4100 77.53 74.65 34.10
22 5.4350 77.40 74.05 34.07
23 5.4600 73.33 73.46 33.17
24 5.4850 68.93 72.88 32.16
25 5.5100 71.67 72.31 32.79
26 5.5350 69.20 71.74 32.22
27 5.5600 69.53 71.18 32.30
28 5.5850 71.00 70.64 32.63
29 5.6100 72.27 70.11 32.92
30 5.6350 72.40 69.59 32.96
31 5.6600 66.53 69.08 31.59
32 5.6850 73.40 68.58 33.18
33 5.7100 65.40 68.10 31.32
34 5.7350 66.73 67.63 31.64
35 5.7600 69.27 67.17 32.23
36 5.7850 69.13 66.73 32.20
37 5.8100 69.93 66.29 32.39
38 5.8350 66.87 65.87 31.67
39 5.8600 62.40 65.47 30.59
40 5.8850 66.80 65.07 31.65
41 5.9100 67.20 64.69 31.75
42 5.9350 64.53 64.31 31.11
43 5.9600 65.80 63.95 31.42
44 5.9850 64.33 63.60 31.06
45 6.0100 62.33 63.26 30.58
46 6.0350 62.07 62.92 30.51
47 6.0600 62.00 62.60 30.50
48 6.0850 63.00 62.28 30.74
49 6.1100 58.33 61.97 29.58
50 6.1350 66.93 61.67 31.69
51 6.1600 59.13 61.38 29.78
52 6.1850 60.53 61.09 30.13
53 6.2100 61.07 60.81 30.26
54 6.2350 60.53 60.54 30.13
55 6.2600 66.53 60.27 31.59
56 6.2850 58.87 60.00 29.72
57 6.3100 56.20 59.74 29.03
58 6.3350 61.80 59.48 30.45
59 6.3600 56.00 59.23 28.98
60 6.3850 58.93 58.98 29.73
61 6.4100 55.20 58.73 28.77
62 6.4350 57.13 58.49 29.27
63 6.4600 57.60 58.25 29.39
64 6.4850 54.40 58.01 28.57
65 6.5100 62.53 57.77 30.63
66 6.5350 56.40 57.54 29.09
67 6.5600 57.20 57.30 29.29
68 6.5850 58.93 57.07 29.73
69 6.6100 57.00 56.84 29.24
70 6.6350 54.67 56.60 28.64
71 6.6600 56.33 56.37 29.07
72 6.6850 55.53 56.14 28.86
73 6.7100 59.47 55.91 29.87
74 6.7350 54.40 55.68 28.57
75 6.7600 49.40 55.45 27.22
76 6.7850 54.27 55.22 28.53
77 6.8100 54.60 54.99 28.62
78 6.8350 54.67 54.76 28.64
79 6.8600 52.07 54.53 27.95
80 6.8850 52.47 54.30 28.05
81 6.9100 54.27 54.07 28.53
82 6.9350 58.47 53.85 29.61
83 6.9600 57.73 53.62 29.43
84 6.9850 54.20 53.39 28.51
85 7.0100 53.27 53.16 28.27
86 7.0350 56.73 52.93 29.17
87 7.0600 53.93 52.70 28.44
88 7.0850 51.53 52.47 27.80
89 7.1100 52.80 52.25 28.14
90 7.1350 47.93 52.02 26.81
91 7.1600 54.87 51.79 28.69
92 7.1850 53.33 51.57 28.28
93 7.2100 47.13 51.34 26.59
94 7.2350 53.07 51.12 28.21
95 7.2600 52.40 50.90 28.04
96 7.2850 49.33 50.68 27.20
97 7.3100 48.07 50.47 26.85
98 7.3350 52.27 50.27 28.00
99 7.3600 48.73 50.11 27.04
100 7.3850 53.47 50.01 28.32
101 7.4100 48.40 49.96 26.94
102 7.4350 52.87 49.86 28.16
103 7.4600 50.20 49.78 27.44
104 7.4850 54.33 49.50 28.55
105 7.5100 49.53 49.00 27.26
106 7.5350 46.47 48.62 26.40
107 7.5600 46.00 48.36 26.27
108 7.5850 49.40 48.13 27.22
109 7.6100 45.93 47.92 26.25
110 7.6350 48.20 47.72 26.89
111 7.6600 46.33 47.52 26.36
112 7.6850 47.87 47.32 26.80
113 7.7100 44.60 47.13 25.86
114 7.7350 48.07 46.94 26.85
115 7.7600 48.33 46.76 26.93
116 7.7850 46.33 46.58 26.36
117 7.8100 44.87 46.40 25.94
118 7.8350 45.33 46.23 26.08
119 7.8600 44.47 46.06 25.83
120 7.8850 47.53 45.89 26.70
121 7.9100 46.20 45.73 26.33
122 7.9350 44.73 45.57 25.90
123 7.9600 46.07 45.41 26.29
124 7.9850 45.73 45.26 26.19
125 8.0100 44.73 45.11 25.90
126 8.0350 48.07 44.97 26.85
127 8.0600 44.73 44.82 25.90
128 8.0850 47.73 44.69 26.76
129 8.1100 42.93 44.55 25.38
130 8.1350 46.20 44.43 26.33
131 8.1600 45.87 44.30 26.23
132 8.1850 43.93 44.18 25.67
133 8.2100 43.40 44.06 25.51
134 8.2350 44.07 43.95 25.71
135 8.2600 44.73 43.84 25.90
136 8.2850 43.87 43.73 25.65
137 8.3100 40.67 43.63 24.70
138 8.3350 43.87 43.53 25.65
139 8.3600 45.13 43.44 26.02
140 8.3850 43.13 43.34 25.44
141 8.4100 43.87 43.26 25.65
142 8.4350 44.13 43.17 25.73
143 8.4600 44.73 43.09 25.90
144 8.4850 38.93 43.02 24.17
145 8.5100 44.13 42.94 25.73
146 8.5350 44.47 42.87 25.83
147 8.5600 40.00 42.81 24.50
148 8.5850 44.13 42.74 25.73
149 8.6100 45.40 42.68 26.10
150 8.6350 43.33 42.63 25.50
151 8.6600 40.33 42.57 24.60
152 8.6850 41.53 42.52 24.96
153 8.7100 43.40 42.48 25.51
154 8.7350 43.07 42.43 25.42
155 8.7600 44.07 42.39 25.71
156 8.7850 42.20 42.35 25.16
157 8.8100 39.80 42.31 24.43
158 8.8350 43.60 42.28 25.57
159 8.8600 44.33 42.25 25.79
160 8.8850 45.20 42.22 26.04
161 8.9100 38.93 42.19 24.17
162 8.9350 43.40 42.17 25.51
163 8.9600 40.07 42.14 24.51
164 8.9850 42.67 42.12 25.30
165 9.0100 39.80 42.10 24.43
166 9.0350 38.47 42.08 24.02
167 9.0600 41.93 42.07 25.08
168 9.0850 40.67 42.05 24.70
169 9.1100 43.40 42.04 25.51
170 9.1350 40.13 42.03 24.54
171 9.1600 43.47 42.02 25.53
172 9.1850 42.27 42.01 25.18
173 9.2100 41.93 42.00 25.08
174 9.2350 43.07 42.00 25.42
175 9.2600 43.07 42.19 25.42
176 9.2850 45.00 42.64 25.98
177 9.3100 41.67 42.73 25.00
178 9.3350 38.93 42.83 24.17
179 9.3600 39.67 42.97 24.39
180 9.3850 43.00 43.14 25.40
181 9.4100 43.47 43.37 25.53
182 9.4350 44.00 43.73 25.69
183 9.4600 43.93 44.18 25.67
184 9.4850 47.07 44.79 26.57
185 9.5100 44.80 45.69 25.92
186 9.5350 49.07 47.14 27.13
187 9.5600 53.87 49.71 28.42
188 9.5850 58.87 55.27 29.72
189 9.6100 73.27 70.66 33.15
190 9.6350 96.00 104.71 37.95
191 9.6600 147.67 144.17 47.06
192 9.6850 184.20 177.55 52.56
193 9.7100 159.60 157.29 48.93
194 9.7350 110.67 98.89 40.74
195 9.7600 67.20 65.83 31.75
196 9.7850 50.07 57.02 27.40
197 9.8100 52.93 57.60 28.18
198 9.8350 62.07 61.63 30.51
199 9.8600 72.00 65.78 32.86
200 9.8850 72.27 62.72 32.92
201 9.9100 60.80 53.18 30.20
202 9.9350 46.47 47.13 26.40
203 9.9600 42.47 45.00 25.24
204 9.9850 42.27 44.07 25.18
205 10.0100 39.80 43.53 24.43
206 10.0350 41.00 43.17 24.80
207 10.0600 41.33 42.91 24.90
208 10.0850 42.07 42.30 25.12
209 10.1100 41.53 41.99 24.96
210 10.1350 38.67 41.92 24.08
211 10.1600 38.00 41.87 23.88
212 10.1850 39.87 41.81 24.45
213 10.2100 43.60 41.77 25.57
214 10.2350 41.33 41.72 24.90
215 10.2600 42.33 41.62 25.20
216 10.2850 41.60 41.55 24.98
217 10.3100 39.20 41.52 24.25
218 10.3350 39.00 41.49 24.19
219 10.3600 42.67 41.45 25.30
220 10.3850 39.80 41.42 24.43
221 10.4100 41.87 41.38 25.06
222 10.4350 41.13 41.34 24.84
223 10.4600 39.07 41.30 24.21
224 10.4850 40.07 41.26 24.51
225 10.9350 48.67 46.43 27.02
226 10.9600 52.20 47.66 27.98
227 10.9850 53.67 50.08 28.37
228 11.0100 60.80 52.96 30.20
229 11.0350 63.07 56.76 30.76
230 11.0600 73.93 62.75 33.30
231 11.0850 81.33 73.09 34.93
232 11.1100 122.00 93.95 42.78
233 11.1350 171.53 148.34 50.72
234 11.1600 281.60 283.64 64.99
235 11.1850 459.93 478.53 83.06
236 11.2100 640.33 667.67 98.00
237 11.2350 623.93 615.86 96.74
238 11.2600 424.27 404.03 79.78
239 11.2850 221.80 237.63 57.68
240 11.3100 182.40 195.92 52.31
241 11.3350 255.40 232.77 61.90
242 11.3600 311.13 277.70 68.32
243 11.3850 232.87 213.39 59.10
244 11.4100 116.73 126.52 41.85
245 11.4350 67.87 78.68 31.91
246 11.4600 49.00 62.48 27.11
247 11.4850 45.67 55.04 26.17
248 11.5100 46.73 50.82 26.48
249 11.5350 46.93 48.11 26.53
250 11.5600 43.60 44.78 25.57
251 11.5850 42.60 41.87 25.28
252 11.6100 45.07 40.68 26.00
253 11.6350 43.67 40.22 25.59
254 11.6600 41.40 39.84 24.92
255 11.6850 41.80 39.54 25.04
256 11.7100 41.27 38.55 24.88
257 11.7350 37.00 38.06 23.56
258 11.7600 40.93 37.99 24.78
259 11.7850 38.87 37.92 24.15
260 11.8100 37.40 37.86 23.68
261 11.8350 41.27 37.79 24.88
262 11.8600 39.87 37.73 24.45
263 11.8850 34.53 37.66 22.76
264 11.9100 37.20 37.60 23.62
265 11.9350 35.40 37.54 23.04
266 11.9600 38.87 37.48 24.15
267 11.9850 37.40 37.42 23.68
268 12.0100 36.33 37.36 23.34
269 12.0350 37.67 37.31 23.77
270 12.0600 35.80 37.25 23.17
271 12.0850 38.40 37.20 24.00
272 12.1100 35.20 37.15 22.98
273 12.1350 36.87 37.11 23.52
274 12.1600 38.53 37.08 24.04
275 12.1850 35.53 37.08 23.09
276 12.2100 36.47 37.17 23.39
277 12.2350 36.13 37.49 23.28
278 12.2600 39.93 37.94 24.47
279 12.2850 35.00 38.22 22.91
280 12.3100 38.07 37.68 23.90
281 12.3350 37.47 37.10 23.71
282 12.3600 36.20 36.80 23.30
283 12.3850 36.20 36.67 23.30
284 12.4100 36.00 36.59 23.24
285 12.4350 36.80 36.53 23.50
286 12.4600 35.67 36.48 23.13
287 12.4850 33.73 36.44 22.49
288 12.5100 35.93 36.40 23.22
289 12.5350 33.00 36.36 22.25
290 12.5600 37.20 36.32 23.62
291 12.5850 34.93 36.29 22.89
292 12.6100 35.60 36.25 23.11
293 12.6350 37.33 36.22 23.66
294 12.6600 35.73 36.19 23.15
295 12.6850 35.67 36.16 23.13
296 12.7100 37.07 36.14 23.58
297 12.7350 36.27 36.12 23.32
298 12.7600 38.00 36.09 23.88
299 12.7850 35.80 36.07 23.17
300 12.8100 34.47 36.05 22.74
301 12.8350 35.80 36.04 23.17
302 12.8600 33.27 36.02 22.34
303 12.8850 36.00 36.01 23.24
304 12.9100 36.47 35.99 23.39
305 12.9350 36.27 35.98 23.32
306 12.9600 35.53 35.97 23.09
307 12.9850 35.47 35.97 23.07
308 13.0100 34.93 35.96 22.89
309 13.0350 34.40 35.95 22.72
310 13.0600 36.87 35.95 23.52
311 13.0850 36.87 35.95 23.52
312 13.1100 33.60 35.95 22.45
313 13.1350 38.60 35.95 24.06
314 13.1600 37.60 35.95 23.75
315 13.1850 34.60 35.95 22.78
316 13.2100 37.20 35.96 23.62
317 13.2350 35.87 35.97 23.19
318 13.2600 36.67 35.97 23.45
319 13.2850 37.60 35.98 23.75
320 13.3100 38.07 35.99 23.90
321 13.3350 36.27 36.01 23.32
322 13.3600 39.33 36.02 24.29
323 13.3850 36.00 36.03 23.24
324 13.4100 36.73 36.05 23.47
325 13.4350 39.33 36.07 24.29
326 13.4600 36.73 36.09 23.47
327 13.4850 35.80 36.11 23.17
328 13.5100 36.47 36.13 23.39
329 13.5350 36.80 36.15 23.50
330 13.5600 36.27 36.18 23.32
331 13.5850 34.87 36.20 22.87
332 13.6100 35.07 36.24 22.93
333 13.6350 38.13 36.31 23.92
334 13.6600 34.20 36.34 22.65
335 13.6850 34.87 36.40 22.87
336 13.7100 39.80 36.44 24.43
337 13.7350 38.47 36.53 24.02
338 13.7600 38.87 36.59 24.15
339 13.7850 32.87 36.66 22.20
340 13.8100 38.00 36.75 23.88
341 13.8350 34.93 36.86 22.89
342 13.8600 36.93 37.00 23.54
343 13.8850 38.93 37.20 24.17
344 13.9100 37.07 37.53 23.58
345 13.9350 36.73 38.22 23.47
346 13.9600 35.73 40.05 23.15
347 13.9850 38.40 43.87 24.00
348 14.0100 41.07 47.63 24.82
349 14.0350 43.80 47.14 25.63
350 14.0600 40.67 45.90 24.70
351 14.0850 48.00 47.55 26.83
352 14.1100 55.40 50.46 28.83
353 14.1350 52.93 48.04 28.18
354 14.1600 45.53 43.56 26.13
355 14.1850 44.53 39.88 25.85
356 14.2100 39.20 38.55 24.25
357 14.2350 39.60 38.08 24.37
358 14.2600 40.33 37.88 24.60
359 14.2850 40.07 37.78 24.51
360 14.3100 39.60 37.73 24.37
361 14.3350 38.60 37.72 24.06
362 14.3600 39.40 37.73 24.31
363 14.3850 42.87 37.75 25.36
364 14.4100 38.27 37.75 23.96
365 14.4350 39.20 37.96 24.25
366 14.4600 38.00 38.01 23.88
367 14.4850 38.13 38.45 23.92
368 14.5100 37.33 38.54 23.66
369 14.5350 37.80 38.71 23.81
370 14.5600 41.00 38.97 24.80
371 14.5850 37.87 39.26 23.83
372 14.6100 39.00 39.55 24.19
373 14.6350 41.33 39.93 24.90
374 14.6600 40.40 40.43 24.62
375 14.6850 40.53 41.12 24.66
376 14.7100 44.27 42.12 25.77
377 14.7350 43.80 43.71 25.63
378 14.7600 46.07 46.54 26.29
379 14.7850 53.00 52.81 28.20
380 14.8100 64.47 70.77 31.10
381 14.8350 100.80 111.74 38.88
382 14.8600 141.40 154.37 46.05
383 14.8850 138.73 144.89 45.62
384 14.9100 101.40 108.64 39.00
385 14.9350 74.93 78.98 33.53
386 14.9600 76.20 76.51 33.81
387 14.9850 88.27 79.68 36.39
388 15.0100 82.47 69.40 35.17
389 15.0350 61.27 57.19 30.32
390 15.0600 47.27 47.76 26.63
391 15.0850 43.67 44.15 25.59
392 15.1100 41.80 42.70 25.04
393 15.1350 41.67 41.94 25.00
394 15.1600 42.00 41.47 25.10
395 15.1850 43.47 41.18 25.53
396 15.2100 40.33 40.99 24.60
397 15.2350 39.80 40.87 24.43
398 15.2600 38.87 40.79 24.15
399 15.2850 40.53 40.43 24.66
400 15.3100 37.67 40.44 23.77
401 15.3350 42.87 40.32 25.36
402 15.3600 40.73 40.37 24.72
403 15.3850 41.60 40.42 24.98
404 15.4100 37.60 40.39 23.75
405 15.4350 40.27 40.42 24.58
406 15.4600 39.40 40.50 24.31
407 15.4850 37.67 40.57 23.77
408 15.5100 39.67 40.65 24.39
409 15.5350 40.80 40.73 24.74
410 15.5600 41.47 40.81 24.94
411 15.5850 39.67 40.89 24.39
412 15.6100 42.27 40.97 25.18
413 15.6350 41.73 41.05 25.02
414 15.6600 39.73 41.13 24.41
415 15.6850 41.07 41.21 24.82
416 15.7100 41.33 41.29 24.90
417 15.7350 40.80 41.38 24.74
418 15.7600 40.60 41.46 24.68
419 15.7850 44.40 41.56 25.81
420 15.8100 47.80 41.69 26.78
421 15.8350 44.27 41.87 25.77
422 15.8600 44.27 42.12 25.77
423 15.8850 44.87 42.20 25.94
424 15.9100 48.67 42.18 27.02
425 15.9350 44.67 42.14 25.88
426 15.9600 43.60 42.15 25.57
427 15.9850 42.93 42.21 25.38
428 16.0100 41.40 42.29 24.92
429 16.0350 41.07 42.36 24.82
430 16.0600 44.67 42.45 25.88
431 16.0850 43.40 42.53 25.51
432 16.1100 43.33 42.61 25.50
433 16.1350 43.67 42.70 25.59
434 16.1600 44.07 42.78 25.71
435 16.1850 42.53 42.87 25.26
436 16.2100 43.13 42.96 25.44
437 16.2350 43.80 43.04 25.63
438 16.2600 41.40 43.13 24.92
439 16.2850 43.93 43.31 25.67
440 16.3100 48.20 43.60 26.89
441 16.3350 45.80 43.73 26.21
442 16.3600 43.20 43.86 25.46
443 16.3850 43.60 44.01 25.57
444 16.4100 43.13 44.17 25.44
445 16.4350 47.33 44.35 26.65
446 16.4600 46.13 44.55 26.31
447 16.4850 45.33 44.79 26.08
448 16.5100 46.67 45.08 26.46
449 16.5350 50.27 45.45 27.46
450 16.5600 44.13 45.96 25.73
451 16.5850 44.47 46.77 25.83
452 16.6100 50.00 47.95 27.39
453 16.6350 52.47 50.38 28.05
454 16.6600 56.73 56.02 29.17
455 16.6850 64.07 71.11 31.00
456 16.7100 92.00 97.22 37.15
457 16.7350 106.93 117.99 40.05
458 16.7600 100.73 99.86 38.87
459 16.7850 77.33 80.24 34.06
460 16.8100 60.47 60.63 30.12
461 16.8350 53.27 53.13 28.27
462 16.8600 50.33 50.84 27.48
463 16.8850 49.13 50.16 27.15
464 16.9100 49.27 50.33 27.18
465 16.9350 48.67 51.42 27.02
466 16.9600 53.80 54.51 28.41
467 16.9850 65.87 63.64 31.43
468 17.0100 86.00 83.81 35.92
469 17.0350 120.27 111.10 42.47
470 17.0600 116.00 105.25 41.71
471 17.0850 98.27 89.71 38.39
472 17.1100 70.53 70.50 32.53
473 17.1350 56.47 63.27 29.10
474 17.1600 51.87 66.61 27.89
475 17.1850 52.13 66.90 27.96
476 17.2100 50.40 61.59 27.50
477 17.2350 49.13 55.88 27.15
478 17.2600 48.67 51.57 27.02
479 17.2850 50.60 50.01 27.55
480 17.3100 51.87 49.49 27.89
481 17.3350 48.80 49.32 27.06
482 17.3600 52.93 49.34 28.18
483 17.3850 50.07 49.49 27.40
484 17.4100 48.80 49.78 27.06
485 17.4350 52.53 50.23 28.07
486 17.4600 51.13 50.94 27.69
487 17.4850 49.27 52.09 27.18
488 17.5100 52.40 54.01 28.04
489 17.5350 55.20 58.67 28.77
490 17.5600 71.73 71.99 32.80
491 17.5850 101.87 100.86 39.09
492 17.6100 141.93 136.65 46.14
493 17.6350 122.13 125.47 42.80
494 17.6600 99.20 104.42 38.58
495 17.6850 68.67 76.53 32.09
496 17.7100 51.13 60.59 27.69
497 17.7350 53.87 55.21 28.42
498 17.7600 54.60 53.13 28.62
499 17.7850 52.73 52.08 28.12
500 17.8100 52.07 51.51 27.95
501 17.8350 52.60 51.20 28.09
502 17.8600 55.73 51.10 28.91
503 17.8850 51.07 51.25 27.68
504 17.9100 54.67 51.97 28.64
505 17.9350 53.87 53.34 28.42
506 17.9600 57.80 54.44 29.44
507 17.9850 55.67 53.58 28.90
508 18.0100 52.13 52.73 27.96
509 18.0350 49.00 51.69 27.11
510 18.0600 47.80 51.26 26.78
511 18.0850 50.60 50.97 27.55
512 18.1100 53.93 51.01 28.44
513 18.1350 48.53 50.99 26.98
514 18.1600 50.40 51.10 27.50
515 18.1850 53.33 51.41 28.28
516 18.2100 50.67 51.58 27.57
517 18.2350 52.33 51.89 28.02
518 18.2600 48.67 52.20 27.02
519 18.2850 52.33 52.80 28.02
520 18.3100 53.07 54.13 28.21
521 18.3350 53.33 56.08 28.28
522 18.3600 55.20 56.69 28.77
523 18.3850 55.73 55.85 28.91
524 18.4100 54.93 54.97 28.70
525 18.4350 51.33 54.21 27.75
526 18.4600 54.73 54.20 28.65
527 18.4850 56.00 54.62 28.98
528 18.5100 55.20 55.36 28.77
529 18.5350 58.47 56.62 29.61
530 18.5600 65.07 59.06 31.24
531 18.5850 80.27 65.37 34.70
532 18.6100 95.07 82.49 37.76
533 18.6350 143.60 111.38 46.41
534 18.6600 158.20 125.36 48.71
535 18.6850 127.60 107.20 43.75
536 18.7100 103.27 90.01 39.36
537 18.7350 72.73 69.95 33.03
538 18.7600 61.73 61.17 30.43
539 18.7850 57.73 58.23 29.43
540 18.8100 62.07 56.97 30.51
541 18.8350 57.27 56.31 29.31
542 18.8600 55.13 55.95 28.76
543 18.8850 56.13 55.74 29.02
544 18.9100 56.20 55.64 29.03
545 18.9350 57.73 55.60 29.43
546 18.9600 56.73 55.61 29.17
547 18.9850 57.87 55.71 29.46
548 19.0100 55.53 55.78 28.86
549 19.0350 56.80 56.06 29.19
550 19.0600 62.20 56.17 30.55
551 19.0850 54.60 56.38 28.62
552 19.1100 58.47 56.54 29.61
553 19.1350 61.27 56.56 30.32
554 19.1600 55.00 56.78 28.72
555 19.1850 56.93 56.95 29.22
556 19.2100 55.87 57.24 28.95
557 19.2350 62.27 57.57 30.56
558 19.2600 63.07 57.97 30.76
559 19.2850 59.93 58.49 29.98
560 19.3100 60.13 59.18 30.03
561 19.3350 58.13 60.26 29.53
562 19.3600 57.73 61.92 29.43
563 19.3850 69.20 65.41 32.22
564 19.4100 73.27 74.67 33.15
565 19.4350 84.40 95.89 35.58
566 19.4600 100.87 122.43 38.90
567 19.4850 100.33 124.56 38.79
568 19.5100 94.13 124.02 37.58
569 19.5350 85.40 108.31 35.79
570 19.5600 77.13 88.96 34.01
571 19.5850 74.33 77.59 33.39
572 19.6100 78.87 69.13 34.40
573 19.6350 72.80 65.22 33.04
574 19.6600 68.40 63.71 32.03
575 19.6850 65.33 62.95 31.31
576 19.7100 60.80 62.89 30.20
577 19.7350 69.67 63.79 32.33
578 19.7600 74.13 66.94 33.35
579 19.7850 81.80 75.74 35.03
580 19.8100 103.40 89.07 39.38
581 19.8350 111.87 91.74 40.96
582 19.8600 103.80 84.01 39.46
583 19.8850 89.27 76.79 36.59
584 19.9100 75.93 68.26 33.75
585 19.9350 67.80 64.55 31.89
586 19.9600 64.13 63.25 31.02
587 19.9850 66.40 62.90 31.56
588 20.0100 64.87 62.67 31.19
589 20.0350 61.27 62.80 30.32
590 20.0600 63.00 62.97 30.74
591 20.0850 67.20 63.29 31.75
592 20.1100 66.87 63.78 31.67
593 20.1350 65.13 64.58 31.26
594 20.1600 71.60 65.85 32.77
595 20.1850 70.13 68.28 32.44
596 20.2100 74.33 73.84 33.39
597 20.2350 86.60 87.93 36.04
598 20.2600 110.67 110.47 40.74
599 20.2850 123.53 116.66 43.05
600 20.3100 112.53 103.63 41.08
601 20.3350 101.53 92.91 39.03
602 20.3600 83.80 78.59 35.45
603 20.3850 71.27 72.68 32.70
604 20.4100 69.40 73.84 32.26
605 20.4350 70.13 81.21 32.44
606 20.4600 66.87 90.31 31.67
607 20.4850 71.53 87.87 32.76
608 20.5100 67.93 83.40 31.92
609 20.5350 73.60 78.49 33.23
610 20.5600 69.93 76.27 32.39
611 20.5850 73.73 82.62 33.26
612 20.6100 89.33 93.28 36.61
613 20.6350 92.27 92.51 37.20
614 20.6600 90.40 86.51 36.82
615 20.6850 81.93 80.65 35.06
616 20.7100 76.40 74.32 33.85
617 20.7350 73.20 73.00 33.14
618 20.7600 77.33 76.82 34.06
619 20.7850 76.67 87.36 33.91
620 20.8100 84.20 97.51 35.54
621 20.8350 82.27 92.40 35.13
622 20.8600 84.67 86.87 35.64
623 20.8850 78.27 79.08 34.26
624 20.9100 72.07 72.73 32.88
625 20.9350 70.40 70.35 32.50
626 20.9600 68.20 69.53 31.98
627 20.9850 70.27 69.24 32.47
628 21.0100 67.27 69.11 31.76
629 21.0350 66.40 69.12 31.56
630 21.0600 72.47 69.18 32.97
631 21.0850 66.33 69.28 31.54
632 21.1100 69.20 69.35 32.22
633 21.1350 71.53 69.50 32.76
634 21.1600 68.80 69.64 32.12
635 21.1850 68.80 69.83 32.12
636 21.2100 70.53 70.03 32.53
637 21.2350 67.87 70.26 31.91
638 21.2600 68.93 70.55 32.16
639 21.2850 72.33 71.03 32.94
640 21.3100 73.00 71.91 33.09
641 21.3350 73.00 73.16 33.09
642 21.3600 71.80 73.35 32.82
643 21.3850 74.40 72.98 33.41
644 21.4100 70.13 72.69 32.44
645 21.4350 72.33 72.21 32.94
646 21.4600 74.33 72.09 33.39
647 21.4850 73.27 72.18 33.15
648 21.5100 70.60 72.34 32.54
649 21.5350 75.47 72.53 33.65
650 21.5600 74.07 72.72 33.33
651 21.5850 75.87 72.92 33.73
652 21.6100 72.60 73.13 33.00
653 21.6350 73.07 73.33 33.11
654 21.6600 70.20 73.54 32.45
655 21.6850 73.87 73.75 33.29
656 21.7100 72.67 73.97 33.01
657 21.7350 73.20 74.18 33.14
658 21.7600 74.27 74.40 33.38
659 21.7850 75.47 74.67 33.65
660 21.8100 75.80 74.89 33.72
661 21.8350 73.20 75.22 33.14
662 21.8600 73.60 75.46 33.23
663 21.8850 76.73 75.71 33.93
664 21.9100 72.47 75.96 32.97
665 21.9350 77.27 76.21 34.04
666 21.9600 75.53 76.48 33.66
667 21.9850 73.53 76.76 33.21
668 22.0100 73.33 77.06 33.17
669 22.0350 76.60 77.41 33.90
670 22.0600 78.40 77.77 34.29
671 22.0850 75.40 78.27 33.63
672 22.1100 79.53 78.79 34.54
673 22.1350 74.93 79.44 33.53
674 22.1600 78.60 80.37 34.34
675 22.1850 85.60 81.94 35.83
676 22.2100 87.53 85.63 36.24
677 22.2350 105.60 95.78 39.80
678 22.2600 131.53 114.26 44.42
679 22.2850 148.13 123.28 47.14
680 22.3100 131.07 112.94 44.34
681 22.3350 123.27 106.87 43.00
682 22.3600 102.93 95.57 39.29
683 22.3850 95.80 87.54 37.91
684 22.4100 83.93 84.98 35.48
685 22.4350 80.40 84.76 34.73
686 22.4600 83.87 86.12 35.47
687 22.4850 89.13 91.00 36.56
688 22.5100 109.67 102.49 40.56
689 22.5350 138.47 114.24 45.57
690 22.5600 138.87 111.53 45.64
691 22.5850 119.60 107.02 42.36
692 22.6100 110.93 100.45 40.79
693 22.6350 90.67 92.16 36.88
694 22.6600 88.07 87.86 36.35
695 22.6850 84.13 85.88 35.53
696 22.7100 83.73 85.14 35.44
697 22.7350 81.80 84.99 35.03
698 22.7600 84.33 85.26 35.57
699 22.7850 82.27 86.17 35.13
700 22.8100 91.13 88.99 36.97
701 22.8350 95.27 93.30 37.80
702 22.8600 103.27 94.11 39.36
703 22.8850 95.07 91.92 37.76
704 22.9100 91.67 90.75 37.08
705 22.9350 86.40 88.30 36.00
706 22.9600 82.13 86.87 35.10
707 22.9850 85.47 86.57 35.81
708 23.0100 85.20 86.73 35.75
709 23.0350 84.73 87.09 35.65
710 23.0600 89.53 87.94 36.65
711 23.0850 87.80 90.19 36.29
712 23.1100 93.80 95.95 37.51
713 23.1350 105.80 104.23 39.84
714 23.1600 110.80 104.61 40.77
715 23.1850 104.40 100.35 39.57
716 23.2100 101.27 97.86 38.97
717 23.2350 91.40 92.86 37.03
718 23.2600 86.60 89.89 36.04
719 23.2850 86.27 88.94 35.97
720 23.3100 88.93 88.68 36.52
721 23.3350 89.73 88.63 36.69
722 23.3600 89.40 88.65 36.62
723 23.3850 89.47 88.74 36.63
724 23.4100 84.87 88.85 35.68
725 23.4350 83.40 88.99 35.37
726 23.4600 88.60 89.13 36.46
727 23.4850 89.07 89.29 36.55
728 23.5100 90.20 89.45 36.78
729 23.5350 85.47 89.62 35.81
730 23.5600 88.67 89.78 36.47
731 23.5850 83.33 89.96 35.35
732 23.6100 91.73 90.13 37.09
733 23.6350 89.60 90.38 36.66
734 23.6600 83.27 90.52 35.34
735 23.6850 89.20 90.81 36.58
736 23.7100 89.60 90.99 36.66
737 23.7350 86.07 91.19 35.93
738 23.7600 86.53 91.40 36.03
739 23.7850 88.73 91.61 36.48
740 23.8100 86.47 91.84 36.01
741 23.8350 93.47 92.08 37.44
742 23.8600 90.27 92.35 36.80
743 23.8850 88.13 92.64 36.36
744 23.9100 93.20 93.02 37.39
745 23.9350 90.67 93.46 36.88
746 23.9600 90.53 94.01 36.85
747 23.9850 92.80 94.79 37.31
748 24.0100 93.67 96.08 37.48
749 24.0350 91.33 98.87 37.01
750 24.0600 103.27 105.85 39.36
751 24.0850 113.67 119.83 41.29
752 24.1100 131.93 136.68 44.49
753 24.1350 150.00 144.27 47.43
754 24.1600 131.73 132.72 44.45
755 24.1850 124.47 124.28 43.21
756 24.2100 111.60 113.81 40.92
757 24.2350 98.33 103.49 38.41
758 24.2600 96.47 99.28 38.04
759 24.2850 101.73 98.32 39.06
760 24.3100 100.13 99.26 38.76
761 24.3350 120.27 102.97 42.47
762 24.3600 139.27 108.73 45.71
763 24.3850 148.87 110.86 47.26
764 24.4100 142.33 108.52 46.21
765 24.4350 128.00 105.66 43.82
766 24.4600 121.40 102.58 42.67
767 24.4850 102.13 99.29 39.14
768 24.5100 93.47 97.75 37.44
769 24.5350 97.60 97.51 38.26
770 24.5600 94.87 98.06 37.72
771 24.5850 92.47 100.18 37.24
772 24.6100 98.07 106.12 38.35
773 24.6350 101.13 114.65 38.95
774 24.6600 100.53 114.32 38.83
775 24.6850 95.87 109.69 37.92
776 24.7100 95.93 107.90 37.93
777 24.7350 98.47 102.79 38.43
778 24.7600 97.33 99.11 38.21
779 24.7850 100.53 97.75 38.83
780 24.8100 95.93 97.23 37.93
781 24.8350 94.53 97.00 37.66
782 24.8600 95.40 96.91 37.83
783 24.8850 96.60 96.88 38.07
784 24.9100 98.27 96.89 38.39
785 24.9350 91.67 96.96 37.08
786 24.9600 96.13 97.08 37.97
787 24.9850 94.73 97.28 37.70
788 25.0100 93.13 97.56 37.38
789 25.0350 95.93 98.00 37.93
790 25.0600 95.40 98.79 37.83
791 25.0850 97.93 100.56 38.33
792 25.1100 110.00 105.75 40.62
793 25.1350 126.67 117.95 43.59
794 25.1600 129.53 129.43 44.08
795 25.1850 130.20 123.22 44.19
796 25.2100 122.13 117.78 42.80
797 25.2350 108.33 113.75 40.31
798 25.2600 103.07 105.30 39.32
799 25.2850 97.47 100.54 38.24
800 25.3100 98.00 98.88 38.34
801 25.3350 97.07 98.25 38.16
802 25.3600 96.20 97.96 37.99
803 25.3850 98.87 97.90 38.51
804 25.4100 98.13 98.01 38.37
805 25.4350 99.13 98.69 38.56
806 25.4600 107.20 100.62 40.10
807 25.4850 107.80 103.85 40.21
808 25.5100 111.07 104.45 40.82
809 25.5350 107.20 102.52 40.10
810 25.5600 108.27 102.04 40.30
811 25.5850 98.60 100.62 38.46
812 25.6100 102.73 99.40 39.26
813 25.6350 98.13 99.70 38.37
814 25.6600 103.40 102.36 39.38
815 25.6850 106.07 108.74 39.89
816 25.7100 101.80 114.09 39.08
817 25.7350 104.40 110.44 39.57
818 25.7600 102.13 108.27 39.14
819 25.7850 106.53 106.85 39.97
820 25.8100 99.67 103.88 38.67
821 25.8350 106.20 105.50 39.91
822 25.8600 123.27 114.80 43.00
823 25.8850 134.93 126.47 44.99
824 25.9100 134.80 122.52 44.97
825 25.9350 112.87 116.18 41.15
826 25.9600 117.73 113.89 42.02
827 25.9850 108.40 106.51 40.32
828 26.0100 103.60 101.77 39.42
829 26.0350 116.27 101.06 41.76
830 26.0600 108.80 101.37 40.40
831 26.0850 114.20 101.80 41.39
832 26.1100 117.20 104.80 41.93
833 26.1350 117.93 108.09 42.06
834 26.1600 122.40 108.46 42.85
835 26.1850 109.93 106.93 40.61
836 26.2100 111.07 105.91 40.82
837 26.2350 109.33 106.67 40.50
838 26.2600 110.73 107.51 40.76
839 26.2850 115.27 109.52 41.58
840 26.3100 112.20 119.90 41.02
841 26.3350 112.87 130.21 41.15
842 26.3600 112.73 122.04 41.12
843 26.3850 105.73 115.52 39.83
844 26.4100 101.20 112.36 38.96
845 26.4350 102.00 103.96 39.12
846 26.4600 93.73 98.54 37.50
847 26.4850 93.87 96.43 37.52
848 26.5100 97.47 95.57 38.24
849 26.5350 91.00 95.09 36.95
850 26.5600 93.13 94.80 37.38
851 26.5850 92.93 94.68 37.34
852 26.6100 94.93 94.92 37.74
853 26.6350 88.60 96.10 36.46
854 26.6600 88.53 98.21 36.44
855 26.6850 92.60 98.42 37.27
856 26.7100 92.73 96.82 37.30
857 26.7350 91.00 96.42 36.95
858 26.7600 93.07 95.43 37.36
859 26.7850 96.13 94.31 37.97
860 26.8100 95.93 94.34 37.93
861 26.8350 91.80 96.12 37.11
862 26.8600 94.93 99.35 37.74
863 26.8850 91.67 99.80 37.08
864 26.9100 93.20 97.34 37.39
865 26.9350 98.07 96.66 38.35
866 26.9600 87.53 95.12 36.24
867 26.9850 90.20 93.09 36.78
868 27.0100 92.93 92.07 37.34
869 27.0350 90.67 91.63 36.88
870 27.0600 89.80 91.43 36.70
871 27.0850 90.07 91.23 36.76
872 27.1100 88.80 91.08 36.50
873 27.1350 94.00 90.96 37.55
874 27.1600 94.20 90.85 37.59
875 27.1850 89.27 90.78 36.59
876 27.2100 93.20 90.75 37.39
877 27.2350 90.73 90.84 36.89
878 27.2600 88.27 91.10 36.39
879 27.2850 93.67 92.01 37.48
880 27.3100 96.80 94.86 38.10
881 27.3350 111.13 100.56 40.83
882 27.3600 114.13 103.20 41.38
883 27.3850 104.60 99.42 39.61
884 27.4100 102.20 98.61 39.15
885 27.4350 102.93 98.34 39.29
886 27.4600 105.40 98.88 39.76
887 27.4850 116.60 106.20 41.82
888 27.5100 126.93 112.82 43.63
889 27.5350 113.07 106.49 41.18
890 27.5600 115.73 102.69 41.67
891 27.5850 107.67 101.18 40.19
892 27.6100 99.47 95.24 38.63
893 27.6350 90.87 91.57 36.92
894 27.6600 88.80 91.05 36.50
895 27.6850 93.73 92.30 37.50
896 27.7100 96.47 94.78 38.04
897 27.7350 97.87 97.54 38.31
898 27.7600 95.53 95.40 37.85
899 27.7850 95.13 92.91 37.78
900 27.8100 90.87 92.07 36.92
901 27.8350 88.73 89.58 36.48
902 27.8600 88.60 87.57 36.46
903 27.8850 87.07 86.65 36.14
904 27.9100 84.47 86.22 35.60
905 27.9350 84.73 85.94 35.65
906 27.9600 84.47 85.71 35.60
907 27.9850 86.20 85.55 35.96
908 28.0100 82.13 85.50 35.10
909 28.0350 86.87 85.43 36.10
910 28.0600 89.07 85.59 36.55
911 28.0850 87.13 86.28 36.15
912 28.1100 94.13 88.18 37.58
913 28.1350 92.67 90.69 37.28
914 28.1600 88.33 90.99 36.40
915 28.1850 99.47 93.25 38.63
916 28.2100 106.67 99.93 40.00
917 28.2350 110.47 102.23 40.71
918 28.2600 105.60 98.48 39.80
919 28.2850 102.60 95.60 39.23
920 28.3100 100.07 93.17 38.74
921 28.3350 89.73 89.58 36.69
922 28.3600 85.33 86.66 35.78
923 28.3850 88.53 85.90 36.44
924 28.4100 83.73 87.90 35.44
925 28.4350 89.80 92.90 36.70
926 28.4600 95.73 95.28 37.90
927 28.4850 92.40 91.38 37.23
928 28.5100 90.20 89.89 36.78
929 28.5350 86.07 89.04 35.93
930 28.5600 88.07 86.07 36.35
931 28.5850 83.33 84.83 35.35
932 28.6100 90.00 86.48 36.74
933 28.6350 87.87 90.32 36.30
934 28.6600 88.87 92.11 36.51
935 28.6850 89.13 93.44 36.56
936 28.7100 82.27 94.74 35.13
937 28.7350 85.00 92.08 35.71
938 28.7600 86.00 93.31 35.92
939 28.7850 94.00 99.40 37.55
940 28.8100 91.87 99.95 37.12
941 28.8350 85.93 92.63 35.90
942 28.8600 83.47 90.39 35.38
943 28.8850 85.13 88.90 35.74
944 28.9100 81.47 84.01 34.96
945 28.9350 76.60 80.99 33.90
946 28.9600 78.73 79.78 34.37
947 28.9850 78.40 79.16 34.29
948 29.0100 75.00 78.76 33.54
949 29.0350 70.13 78.46 32.44
950 29.0600 78.53 78.19 34.32
951 29.0850 79.73 77.97 34.58
952 29.1100 81.13 77.77 34.89
953 29.1350 75.53 77.58 33.66
954 29.1600 78.80 77.39 34.38
955 29.1850 73.07 77.24 33.11
956 29.2100 81.07 77.10 34.87
957 29.2350 73.73 76.95 33.26
958 29.2600 76.80 76.86 33.94
959 29.2850 77.13 76.83 34.01
960 29.3100 77.33 76.94 34.06
961 29.3350 74.33 77.53 33.39
962 29.3600 76.73 79.12 33.93
963 29.3850 77.47 80.45 34.09
964 29.4100 82.33 79.93 35.14
965 29.4350 81.27 81.17 34.91
966 29.4600 86.33 83.09 35.99
967 29.4850 84.27 80.83 35.55
968 29.5100 82.13 78.80 35.10
969 29.5350 80.27 78.45 34.70
970 29.5600 76.67 77.14 33.91
971 29.5850 74.87 75.79 33.51
972 29.6100 74.33 75.17 33.39
973 29.6350 71.33 74.87 32.71
974 29.6600 75.73 74.67 33.71
975 29.6850 76.13 74.52 33.79
976 29.7100 67.80 74.41 31.89
977 29.7350 76.13 74.32 33.79
978 29.7600 75.73 74.28 33.71
979 29.7850 70.20 74.30 32.45
980 29.8100 74.13 74.41 33.35
981 29.8350 75.40 74.71 33.63
982 29.8600 74.07 75.50 33.33
983 29.8850 81.00 78.07 34.86
984 29.9100 88.87 84.90 36.51
985 29.9350 100.00 92.75 38.73
986 29.9600 93.40 89.21 37.43
987 29.9850 95.13 85.17 37.78
988 30.0100 88.07 87.34 36.35
989 30.0350 85.80 86.08 35.88
990 30.0600 78.93 81.62 34.41
991 30.0850 79.00 80.37 34.42
992 30.1100 79.00 79.90 34.42
993 30.1350 77.87 77.30 34.18
994 30.1600 77.53 76.12 34.10
995 30.1850 79.47 76.11 34.53
996 30.2100 80.53 75.87 34.76
997 30.2350 77.47 75.12 34.09
998 30.2600 73.73 74.07 33.26
999 30.2850 76.53 73.49 33.88
1000 30.3100 78.93 72.98 34.41
1001 30.3350 74.07 72.25 33.33
1002 30.3600 73.07 71.67 33.11
1003 30.3850 72.40 71.53 32.96
1004 30.4100 71.07 71.93 32.65
1005 30.4350 73.93 73.63 33.30
1006 30.4600 83.60 77.17 35.41
1007 30.4850 86.73 78.45 36.07
1008 30.5100 83.13 75.42 35.31
1009 30.5350 74.33 74.60 33.39
1010 30.5600 76.47 74.60 33.87
1011 30.5850 80.93 72.76 34.84
1012 30.6100 75.27 72.21 33.60
1013 30.6350 69.00 73.99 32.17
1014 30.6600 71.73 75.56 32.80
1015 30.6850 75.93 73.44 33.75
1016 30.7100 69.07 72.18 32.19
1017 30.7350 66.27 72.24 31.53
1018 30.7600 69.00 70.84 32.17
1019 30.7850 71.27 69.41 32.70
1020 30.8100 71.53 68.75 32.76
1021 30.8350 64.53 68.44 31.11
1022 30.8600 66.00 68.25 31.46
1023 30.8850 64.67 68.19 31.15
1024 30.9100 69.00 68.30 32.17
1025 30.9350 68.53 68.32 32.06
1026 30.9600 65.73 67.95 31.40
1027 30.9850 65.87 67.71 31.43
1028 31.0100 69.20 67.59 32.22
1029 31.0350 68.40 67.31 32.03
1030 31.0600 68.67 67.06 32.09
1031 31.0850 70.13 66.88 32.44
1032 31.1100 68.33 66.77 32.02
1033 31.1350 66.53 66.70 31.59
1034 31.1600 64.73 66.75 31.16
1035 31.1850 67.47 67.14 31.81
1036 31.2100 66.93 67.97 31.69
1037 31.2350 67.60 68.15 31.84
1038 31.2600 64.80 67.99 31.18
1039 31.2850 72.73 68.51 33.03
1040 31.3100 66.93 68.05 31.69
1041 31.3350 64.40 67.34 31.08
1042 31.3600 64.53 67.93 31.11
1043 31.3850 69.67 69.04 32.33
1044 31.4100 66.93 68.51 31.69
1045 31.4350 65.40 67.01 31.32
1046 31.4600 65.27 66.67 31.29
1047 31.4850 63.07 66.42 30.76
1048 31.5100 65.40 65.45 31.32
1049 31.5350 65.93 64.81 31.45
1050 31.5600 62.73 64.49 30.68
1051 31.5850 65.60 64.20 31.37
1052 31.6100 63.73 64.04 30.92
1053 31.6350 61.73 64.01 30.43
1054 31.6600 62.93 63.88 30.73
1055 31.6850 64.33 63.57 31.06
1056 31.7100 64.33 63.36 31.06
1057 31.7350 61.80 63.24 30.45
1058 31.7600 64.93 63.03 31.21
1059 31.7850 62.60 62.83 30.64
1060 31.8100 64.47 62.66 31.10
1061 31.8350 62.67 62.53 30.66
1062 31.8600 60.47 62.39 30.12
1063 31.8850 61.80 62.27 30.45
1064 31.9100 64.20 62.15 31.03
1065 31.9350 65.33 62.05 31.31
1066 31.9600 62.07 61.97 30.51
1067 31.9850 64.47 61.94 31.10
1068 32.0100 63.33 62.07 30.82
1069 32.0350 61.60 62.54 30.40
1070 32.0600 61.93 63.20 30.48
1071 32.0850 65.93 63.43 31.45
1072 32.1100 62.13 64.83 30.53
1073 32.1350 63.40 68.32 30.84
1074 32.1600 65.53 68.83 31.35
1075 32.1850 62.67 66.02 30.66
1076 32.2100 60.40 66.63 30.10
1077 32.2350 63.33 68.48 30.82
1078 32.2600 66.40 65.80 31.56
1079 32.2850 62.33 63.07 30.58
1080 32.3100 63.53 62.60 30.87
1081 32.3350 60.07 62.06 30.02
1082 32.3600 59.00 60.82 29.75
1083 32.3850 60.87 60.12 30.22
1084 32.4100 62.40 59.78 30.59
1085 32.4350 63.93 59.57 30.97
1086 32.4600 63.33 59.40 30.82
1087 32.4850 58.33 59.26 29.58
1088 32.5100 62.73 59.13 30.68
1089 32.5350 58.47 59.02 29.61
1090 32.5600 58.27 58.92 29.56
1091 32.5850 57.87 58.82 29.46
1092 32.6100 59.73 58.74 29.93
1093 32.6350 59.60 58.67 29.90
1094 32.6600 60.80 58.59 30.20
1095 32.6850 59.27 58.57 29.82
1096 32.7100 62.00 58.60 30.50
1097 32.7350 59.33 58.82 29.83
1098 32.7600 59.67 59.56 29.92
1099 32.7850 61.47 60.88 30.36
1100 32.8100 63.60 60.68 30.89
1101 32.8350 63.27 59.58 30.81
1102 32.8600 61.67 59.54 30.41
1103 32.8850 61.67 59.59 30.41
1104 32.9100 57.60 58.85 29.39
1105 32.9350 60.20 58.36 30.05
1106 32.9600 61.93 58.19 30.48
1107 32.9850 58.40 58.14 29.60
1108 33.0100 62.87 58.14 30.71
1109 33.0350 57.13 58.18 29.27
1110 33.0600 60.07 58.26 30.02
1111 33.0850 61.73 58.44 30.43
1112 33.1100 57.33 58.76 29.33
1113 33.1350 59.73 59.61 29.93
1114 33.1600 64.47 62.01 31.10
1115 33.1850 61.40 65.69 30.35
1116 33.2100 61.40 65.36 30.35
1117 33.2350 56.73 64.19 29.17
1118 33.2600 62.73 67.28 30.68
1119 33.2850 65.27 68.26 31.29
1120 33.3100 59.87 63.89 29.97
1121 33.3350 58.27 62.18 29.56
1122 33.3600 60.40 62.43 30.10
1123 33.3850 62.60 61.12 30.64
1124 33.4100 59.60 59.99 29.90
1125 33.4350 59.27 60.08 29.82
1126 33.4600 57.13 61.66 29.27
1127 33.4850 65.47 64.77 31.34
1128 33.5100 65.87 64.91 31.43
1129 33.5350 63.67 62.31 30.90
1130 33.5600 65.73 62.06 31.40
1131 33.5850 66.07 62.63 31.48
1132 33.6100 61.40 61.19 30.35
1133 33.6350 58.67 59.99 29.67
1134 33.6600 60.40 59.62 30.10
1135 33.6850 60.53 59.58 30.13
1136 33.7100 56.73 59.64 29.17
1137 33.7350 59.60 59.79 29.90
1138 33.7600 61.73 60.10 30.43
1139 33.7850 62.53 60.87 30.63
1140 33.8100 70.27 63.11 32.47
1141 33.8350 72.13 66.62 32.89
1142 33.8600 69.67 65.95 32.33
1143 33.8850 67.33 63.32 31.78
1144 33.9100 65.93 63.43 31.45
1145 33.9350 64.00 63.92 30.98
1146 33.9600 66.00 62.23 31.46
1147 33.9850 60.33 61.08 30.08
1148 34.0100 60.40 60.80 30.10
1149 34.0350 62.27 61.01 30.56
1150 34.0600 58.40 61.91 29.60
1151 34.0850 61.53 63.93 30.38
1152 34.1100 63.60 65.64 30.89
1153 34.1350 60.73 64.70 30.18
1154 34.1600 62.00 63.35 30.50
1155 34.1850 59.40 63.70 29.85
1156 34.2100 62.73 63.52 30.68
1157 34.2350 61.40 62.27 30.35
1158 34.2600 58.87 62.08 29.72
1159 34.2850 61.07 62.63 30.26
1160 34.3100 60.67 61.87 30.17
1161 34.3350 59.40 61.06 29.85
1162 34.3600 59.33 61.09 29.83
1163 34.3850 61.13 61.12 30.28
1164 34.4100 62.00 60.78 30.50
1165 34.4350 62.00 61.21 30.50
1166 34.4600 65.27 63.39 31.29
1167 34.4850 63.47 65.93 30.85
1168 34.5100 65.07 64.05 31.24
1169 34.5350 62.87 62.50 30.71
1170 34.5600 64.20 63.84 31.03
1171 34.5850 65.27 63.83 31.29
1172 34.6100 66.13 61.56 31.50
1173 34.6350 65.00 60.78 31.23
1174 34.6600 62.80 60.37 30.69
1175 34.6850 60.93 60.13 30.23
1176 34.7100 62.93 60.99 30.73
1177 34.7350 62.27 61.68 30.56
1178 34.7600 60.07 61.12 30.02
1179 34.7850 55.33 59.73 28.81
1180 34.8100 59.73 59.64 29.93
1181 34.8350 60.60 60.69 30.15
1182 34.8600 62.67 59.82 30.66
1183 34.8850 54.47 57.99 28.58
1184 34.9100 58.27 58.32 29.56
loop_
_pd_proc_info_excluded_regions
'from 10.6 to 11.000'
loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
Zn1 . I1 . 2.6 0.01
Zn1 . I2 . 2.6 0.01
Zn1 . I3 . 2.6 0.01
Zn1 . I4 . 2.6 0.01
loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
I1 . Zn1 . I2 . 1 0.05
I1 . Zn1 . I3 . 1 0.05
I1 . Zn1 . I4 . 1 0.05
I2 . Zn1 . I3 . 1 0.05
I4 . Zn1 . I2 . 1 0.05
I4 . Zn1 . I3 . 1 0.05
