#------------------------------------------------------------------------------
#$Date: 2020-05-04 05:25:00 +0300 (Mon, 04 May 2020) $
#$Revision: 251429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/75/4517558.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_4517558
loop_
_publ_author_name
'Spektor, Kristina'
'Crichton, Wilson A.'
'Filippov, Stanislav'
'Klarbring, Johan'
'Simak, Sergei I.'
'Fischer, Andreas'
'Häussermann, Ulrich'
_publ_section_title
;
 Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido
 Complexes [NiH₅]³⁻Versus the Perovskite
 NaNiH₃.
;
_journal_issue                   15
_journal_name_full               'ACS omega'
_journal_page_first              8730
_journal_page_last               8743
_journal_paper_doi               10.1021/acsomega.0c00239
_journal_volume                  5
_journal_year                    2020
_chemical_formula_sum            'H5 Na3 Ni'
_chemical_formula_weight         132.7
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3444(9)
_cell_length_b                   6.8828(9)
_cell_length_c                   7.2247(8)
_cell_measurement_temperature    593
_cell_volume                     365.21(8)
_diffrn_ambient_temperature      593
_diffrn_measurement_device_type
'DT X-Scan series1 linear pixilated detector at ID06-LVP, ESRF'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.22542
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    2.4134
_exptl_crystal_F_000             264
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        10.649
_pd_meas_2theta_range_min        2.172
_pd_meas_number_of_points        1743
_pd_proc_2theta_range_max        9.997
_pd_proc_2theta_range_min        2.371
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1070
_pd_proc_ls_prof_wR_expected     0.0316
_pd_proc_ls_prof_wR_factor       0.1417
_refine_ls_goodness_of_fit_all   4.49
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    1
_refine_ls_number_parameters     19
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0835
_refine_ls_shift/su_max          0.0353
_refine_ls_shift/su_mean         0.0062
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0879
_refine_ls_wR_factor_gt          0.0878
_cod_data_source_file            ao0c00239_si_004.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
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4517557--4517561.cif.
;
_cod_original_formula_sum        'H5 Na3 Ni1'
_cod_database_code               4517558
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z+1/2
3 -x,y,-z+1/2
4 x,-y,-z
5 -x,-y,-z
6 x,y,-z+1/2
7 x,-y,z+1/2
8 -x,y,z
9 x+1/2,y+1/2,z
10 -x+1/2,-y+1/2,z+1/2
11 -x+1/2,y+1/2,-z+1/2
12 x+1/2,-y+1/2,-z
13 -x+1/2,-y+1/2,-z
14 x+1/2,y+1/2,-z+1/2
15 x+1/2,-y+1/2,z+1/2
16 -x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_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
Na1 Na 0.210(3) 0 0 Uiso 0.070(6) 8 1 d . . .
Na2 Na 0 0.691(4) 0.25 Uiso 0.070(6) 4 1 d . . .
Ni1 Ni 0 0.2427(15) 0.25 Uiso 0.017(2) 4 1 d . . .
H1 H 0 0.69735 0.5453 Uiso 0.038 8 1 d . . .
H2 H 0.2075 0.27691 0.25 Uiso 0.038 8 1 d . . .
H3 H 0 0.00196 0.25 Uiso 0.038 4 1 d . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H 0.0000 0.0000 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Na -0.0023 0.0021 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ni 0.0686 0.1261 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Na1 Na1 Na1 5_555 . 13_545 99.7(4) ?
Na1 Na1 Na1 5_555 . 13_555 99.7(4) ?
Na1 Na1 Na1 5_555 . 6_554 90.0(4) ?
Na1 Na1 Na1 5_555 . 6_555 90.0(4) ?
Na1 Na1 Na2 5_555 . 1_545 61.1(3) ?
Na1 Na1 Na2 5_555 . 9_545 133.6(3) ?
Na1 Na1 Na2 5_555 . 2_564 61.1(3) ?
Na1 Na1 Na2 5_555 . 10_554 133.6(3) ?
Na1 Na1 Ni1 5_555 . . 57.9(3) ?
Na1 Na1 Ni1 5_555 . 2_554 57.9(3) ?
Na1 Na1 H3 5_555 . . 49.5 ?
Na1 Na1 H3 5_555 . 2_554 49.5 ?
Na1 Na1 Na1 13_545 . 13_555 160.7(7) ?
Na1 Na1 Na1 13_545 . 6_554 90.00(7) ?
Na1 Na1 Na1 13_545 . 6_555 90.00(7) ?
Na1 Na1 Na2 13_545 . 1_545 54.8(4) ?
Na1 Na1 Na2 13_545 . 9_545 107.7(6) ?
Na1 Na1 Na2 13_545 . 2_564 137.7(5) ?
Na1 Na1 Na2 13_545 . 10_554 57.6(5) ?
Na1 Na1 Ni1 13_545 . . 131.0(4) ?
Na1 Na1 Ni1 13_545 . 2_554 61.5(3) ?
Na1 Na1 H3 13_545 . . 96.6 ?
Na1 Na1 H3 13_545 . 2_554 95.9 ?
Na1 Na1 Na1 13_555 . 6_554 90.00(7) ?
Na1 Na1 Na1 13_555 . 6_555 90.00(7) ?
Na1 Na1 Na2 13_555 . 1_545 137.7(5) ?
Na1 Na1 Na2 13_555 . 9_545 57.6(5) ?
Na1 Na1 Na2 13_555 . 2_564 54.8(4) ?
Na1 Na1 Na2 13_555 . 10_554 107.7(6) ?
Na1 Na1 Ni1 13_555 . . 61.5(3) ?
Na1 Na1 Ni1 13_555 . 2_554 131.0(4) ?
Na1 Na1 H3 13_555 . . 95.9 ?
Na1 Na1 H3 13_555 . 2_554 96.6 ?
Na1 Na1 Na1 6_554 . 6_555 180.0(5) ?
Na1 Na1 Na2 6_554 . 1_545 124.5(4) ?
Na1 Na1 Na2 6_554 . 9_545 125.8(5) ?
Na1 Na1 Na2 6_554 . 2_564 55.5(3) ?
Na1 Na1 Na2 6_554 . 10_554 54.2(3) ?
Na1 Na1 Ni1 6_554 . . 128.5(4) ?
Na1 Na1 Ni1 6_554 . 2_554 51.5(2) ?
Na1 Na1 H3 6_554 . . 139.5 ?
Na1 Na1 H3 6_554 . 2_554 40.5 ?
Na1 Na1 Na2 6_555 . 1_545 55.5(3) ?
Na1 Na1 Na2 6_555 . 9_545 54.2(3) ?
Na1 Na1 Na2 6_555 . 2_564 124.5(4) ?
Na1 Na1 Na2 6_555 . 10_554 125.8(5) ?
Na1 Na1 Ni1 6_555 . . 51.5(2) ?
Na1 Na1 Ni1 6_555 . 2_554 128.5(4) ?
Na1 Na1 H3 6_555 . . 40.5 ?
Na1 Na1 H3 6_555 . 2_554 139.5 ?
Na2 Na1 Na2 1_545 . 9_545 106.6(3) ?
Na2 Na1 Na2 1_545 . 2_564 122.1(6) ?
Na2 Na1 Na2 1_545 . 10_554 112.4(6) ?
Na2 Na1 Ni1 1_545 . . 77.0(5) ?
Na2 Na1 Ni1 1_545 . 2_554 73.2(3) ?
Na2 Na1 H3 1_545 . . 42.2 ?
Na2 Na1 H3 1_545 . 2_554 96.5 ?
Na2 Na1 Na2 9_545 . 2_564 112.4(6) ?
Na2 Na1 Na2 9_545 . 10_554 92.7(6) ?
Na2 Na1 Ni1 9_545 . . 76.0(3) ?
Na2 Na1 Ni1 9_545 . 2_554 167.3(6) ?
Na2 Na1 H3 9_545 . . 90.04 ?
Na2 Na1 H3 9_545 . 2_554 153.6 ?
Na2 Na1 Na2 2_564 . 10_554 106.6(3) ?
Na2 Na1 Ni1 2_564 . . 73.2(3) ?
Na2 Na1 Ni1 2_564 . 2_554 77.0(5) ?
Na2 Na1 H3 2_564 . . 96.5 ?
Na2 Na1 H3 2_564 . 2_554 42.2 ?
Na2 Na1 Ni1 10_554 . . 167.3(6) ?
Na2 Na1 Ni1 10_554 . 2_554 76.0(3) ?
Na2 Na1 H3 10_554 . . 153.6 ?
Na2 Na1 H3 10_554 . 2_554 90.04 ?
Ni1 Na1 Ni1 . . 2_554 115.8(6) ?
Ni1 Na1 H3 . . . 34.8 ?
Ni1 Na1 H3 . . 2_554 97.5 ?
Ni1 Na1 H3 2_554 . . 97.5 ?
Ni1 Na1 H3 2_554 . 2_554 34.8 ?
H3 Na1 H3 . . 2_554 99.0 ?
Na1 Na2 Na1 1_565 . 9_455 106.6(3) ?
Na1 Na2 Na1 1_565 . 2_565 96.3(7) ?
Na1 Na2 Na1 1_565 . 10_555 106.4(4) ?
Na1 Na2 Na1 1_565 . 5_565 57.9(5) ?
Na1 Na2 Na1 1_565 . 13_555 67.6(2) ?
Na1 Na2 Na1 1_565 . 6_565 69.0(5) ?
Na1 Na2 Na1 1_565 . 14_455 161.7(8) ?
Na1 Na2 Ni1 1_565 . . 131.9(4) ?
Na1 Na2 H1 1_565 . . 123.5 ?
Na1 Na2 H1 1_565 . 3_555 54.5 ?
Na1 Na2 H2 1_565 . 9_455 106.8 ?
Na1 Na2 H2 1_565 . 11_555 49.9 ?
Na1 Na2 H3 1_565 . 1_565 48.1 ?
Na1 Na2 Na1 9_455 . 2_565 106.4(4) ?
Na1 Na2 Na1 9_455 . 10_555 129.7(9) ?
Na1 Na2 Na1 9_455 . 5_565 67.6(2) ?
Na1 Na2 Na1 9_455 . 13_555 87.3(5) ?
Na1 Na2 Na1 9_455 . 6_565 161.7(8) ?
Na1 Na2 Na1 9_455 . 14_455 71.7(4) ?
Na1 Na2 Ni1 9_455 . . 64.8(5) ?
Na1 Na2 H1 9_455 . . 126.5 ?
Na1 Na2 H1 9_455 . 3_555 54.8 ?
Na1 Na2 H2 9_455 . 9_455 56.5 ?
Na1 Na2 H2 9_455 . 11_555 141.1 ?
Na1 Na2 H3 9_455 . 1_565 115.2 ?
Na1 Na2 Na1 2_565 . 10_555 106.6(3) ?
Na1 Na2 Na1 2_565 . 5_565 69.0(5) ?
Na1 Na2 Na1 2_565 . 13_555 161.7(8) ?
Na1 Na2 Na1 2_565 . 6_565 57.9(5) ?
Na1 Na2 Na1 2_565 . 14_455 67.6(2) ?
Na1 Na2 Ni1 2_565 . . 131.9(4) ?
Na1 Na2 H1 2_565 . . 54.5 ?
Na1 Na2 H1 2_565 . 3_555 123.5 ?
Na1 Na2 H2 2_565 . 9_455 49.9 ?
Na1 Na2 H2 2_565 . 11_555 106.8 ?
Na1 Na2 H3 2_565 . 1_565 48.1 ?
Na1 Na2 Na1 10_555 . 5_565 161.7(8) ?
Na1 Na2 Na1 10_555 . 13_555 71.7(4) ?
Na1 Na2 Na1 10_555 . 6_565 67.6(2) ?
Na1 Na2 Na1 10_555 . 14_455 87.3(5) ?
Na1 Na2 Ni1 10_555 . . 64.8(5) ?
Na1 Na2 H1 10_555 . . 54.8 ?
Na1 Na2 H1 10_555 . 3_555 126.5 ?
Na1 Na2 H2 10_555 . 9_455 141.1 ?
Na1 Na2 H2 10_555 . 11_555 56.5 ?
Na1 Na2 H3 10_555 . 1_565 115.2 ?
Na1 Na2 Na1 5_565 . 13_555 106.6(3) ?
Na1 Na2 Na1 5_565 . 6_565 96.3(7) ?
Na1 Na2 Na1 5_565 . 14_455 106.4(4) ?
Na1 Na2 Ni1 5_565 . . 131.9(4) ?
Na1 Na2 H1 5_565 . . 123.5 ?
Na1 Na2 H1 5_565 . 3_555 54.5 ?
Na1 Na2 H2 5_565 . 9_455 49.9 ?
Na1 Na2 H2 5_565 . 11_555 106.8 ?
Na1 Na2 H3 5_565 . 1_565 48.1 ?
Na1 Na2 Na1 13_555 . 6_565 106.4(4) ?
Na1 Na2 Na1 13_555 . 14_455 129.7(9) ?
Na1 Na2 Ni1 13_555 . . 64.8(5) ?
Na1 Na2 H1 13_555 . . 126.5 ?
Na1 Na2 H1 13_555 . 3_555 54.8 ?
Na1 Na2 H2 13_555 . 9_455 141.1 ?
Na1 Na2 H2 13_555 . 11_555 56.5 ?
Na1 Na2 H3 13_555 . 1_565 115.2 ?
Na1 Na2 Na1 6_565 . 14_455 106.6(3) ?
Na1 Na2 Ni1 6_565 . . 131.9(4) ?
Na1 Na2 H1 6_565 . . 54.5 ?
Na1 Na2 H1 6_565 . 3_555 123.5 ?
Na1 Na2 H2 6_565 . 9_455 106.8 ?
Na1 Na2 H2 6_565 . 11_555 49.9 ?
Na1 Na2 H3 6_565 . 1_565 48.1 ?
Na1 Na2 Ni1 14_455 . . 64.8(5) ?
Na1 Na2 H1 14_455 . . 54.8 ?
Na1 Na2 H1 14_455 . 3_555 126.5 ?
Na1 Na2 H2 14_455 . 9_455 56.5 ?
Na1 Na2 H2 14_455 . 11_555 141.1 ?
Na1 Na2 H3 14_455 . 1_565 115.2 ?
Ni1 Na2 H1 . . . 91.2 ?
Ni1 Na2 H1 . . 3_555 91.2 ?
Ni1 Na2 H2 . . 9_455 105.5 ?
Ni1 Na2 H2 . . 11_555 105.5 ?
Ni1 Na2 H3 . . 1_565 180.0 ?
H1 Na2 H1 . . 3_555 177.5 ?
H1 Na2 H2 . . 9_455 89.7 ?
H1 Na2 H2 . . 11_555 89.7 ?
H1 Na2 H3 . . 1_565 88.8 ?
H1 Na2 H2 3_555 . 9_455 89.7 ?
H1 Na2 H2 3_555 . 11_555 89.7 ?
H1 Na2 H3 3_555 . 1_565 88.8 ?
H2 Na2 H2 9_455 . 11_555 149.1 ?
H2 Na2 H3 9_455 . 1_565 74.5 ?
H2 Na2 H3 11_555 . 1_565 74.5 ?
Na1 Ni1 Na1 . . 2_555 109.8(4) ?
Na1 Ni1 Na1 . . 5_555 64.2(5) ?
Na1 Ni1 Na1 . . 6_555 76.9(3) ?
Na1 Ni1 Na2 . . . 125.1(2) ?
Na1 Ni1 H1 . . 2_564 63.6 ?
Na1 Ni1 H1 . . 4_566 138.9 ?
Na1 Ni1 H2 . . . 64.1 ?
Na1 Ni1 H2 . . 3_555 127.8 ?
Na1 Ni1 H3 . . . 54.9 ?
Na1 Ni1 Na1 2_555 . 5_555 76.9(3) ?
Na1 Ni1 Na1 2_555 . 6_555 64.2(5) ?
Na1 Ni1 Na2 2_555 . . 125.1(2) ?
Na1 Ni1 H1 2_555 . 2_564 138.9 ?
Na1 Ni1 H1 2_555 . 4_566 63.6 ?
Na1 Ni1 H2 2_555 . . 127.8 ?
Na1 Ni1 H2 2_555 . 3_555 64.1 ?
Na1 Ni1 H3 2_555 . . 54.9 ?
Na1 Ni1 Na1 5_555 . 6_555 109.8(4) ?
Na1 Ni1 Na2 5_555 . . 125.1(2) ?
Na1 Ni1 H1 5_555 . 2_564 63.6 ?
Na1 Ni1 H1 5_555 . 4_566 138.9 ?
Na1 Ni1 H2 5_555 . . 127.8 ?
Na1 Ni1 H2 5_555 . 3_555 64.1 ?
Na1 Ni1 H3 5_555 . . 54.9 ?
Na1 Ni1 Na2 6_555 . . 125.1(2) ?
Na1 Ni1 H1 6_555 . 2_564 138.9 ?
Na1 Ni1 H1 6_555 . 4_566 63.6 ?
Na1 Ni1 H2 6_555 . . 64.1 ?
Na1 Ni1 H2 6_555 . 3_555 127.8 ?
Na1 Ni1 H3 6_555 . . 54.9 ?
Na2 Ni1 H1 . . 2_564 74.4 ?
Na2 Ni1 H1 . . 4_566 74.4 ?
Na2 Ni1 H2 . . . 81.2 ?
Na2 Ni1 H2 . . 3_555 81.2 ?
Na2 Ni1 H3 . . . 180.0 ?
H1 Ni1 H1 2_564 . 4_566 148.8 ?
H1 Ni1 H2 2_564 . . 87.65 ?
H1 Ni1 H2 2_564 . 3_555 87.65 ?
H1 Ni1 H3 2_564 . . 105.6 ?
H1 Ni1 H2 4_566 . . 87.65 ?
H1 Ni1 H2 4_566 . 3_555 87.65 ?
H1 Ni1 H3 4_566 . . 105.6 ?
H2 Ni1 H2 . . 3_555 162.5 ?
H2 Ni1 H3 . . . 98.8 ?
H2 Ni1 H3 3_555 . . 98.8 ?
Na2 H1 Ni1 . . 2_565 165.7 ?
Na2 H2 Ni1 9_545 . . 155.8 ?
Na1 H3 Na1 . . 2_555 179.349 ?
Na1 H3 Na1 . . 5_555 81.0 ?
Na1 H3 Na1 . . 6_555 99.0 ?
Na1 H3 Na2 . . 1_545 89.6746 ?
Na1 H3 Ni1 . . . 90.3254 ?
Na1 H3 Na1 2_555 . 5_555 99.0 ?
Na1 H3 Na1 2_555 . 6_555 81.0 ?
Na1 H3 Na2 2_555 . 1_545 89.6746 ?
Na1 H3 Ni1 2_555 . . 90.3254 ?
Na1 H3 Na1 5_555 . 6_555 179.349 ?
Na1 H3 Na2 5_555 . 1_545 89.6746 ?
Na1 H3 Ni1 5_555 . . 90.3254 ?
Na1 H3 Na2 6_555 . 1_545 89.6746 ?
Na1 H3 Ni1 6_555 . . 90.3254 ?
Na2 H3 Ni1 1_545 . . 180.0 ?
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
_geom_bond_publ_flag
Na1 Na1 . 5_555 3.09(3) ?
Na1 Na1 . 13_545 3.491(5) ?
Na1 Na1 . 13_555 3.491(5) ?
Na1 Na1 . 6_554 3.6123(8) ?
Na1 Na1 . 6_555 3.6123(8) ?
Na1 Na2 . 1_545 3.19(2) ?
Na1 Na2 . 9_545 3.085(17) ?
Na1 Na2 . 2_564 3.19(2) ?
Na1 Na2 . 10_554 3.085(17) ?
Na1 Ni1 . . 2.904(12) ?
Na1 Ni1 . 2_554 2.904(12) ?
Na1 H3 . . 2.376 ?
Na1 H3 . 2_554 2.376 ?
Na2 Ni1 . . 3.08(3) ?
Na2 H1 . . 2.1339 ?
Na2 H1 . 3_555 2.1339 ?
Na2 H2 . 9_455 2.229 ?
Na2 H2 . 11_555 2.229 ?
Na2 H3 . 1_565 2.14 ?
Ni1 H1 . 2_564 1.535 ?
Ni1 H1 . 4_566 1.535 ?
Ni1 H2 . . 1.5420 ?
Ni1 H2 . 3_555 1.5420 ?
Ni1 H3 . . 1.657 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
loop_
_pd_proc_point_id
_pd_proc_2theta_corrected
_pd_proc_intensity_net
_pd_calc_intensity_net
_pd_proc_ls_weight
1 2.3710 353.06 351.13 18.79
2 2.3759 358.84 355.08 18.94
3 2.3807 375.78 357.17 19.39
4 2.3856 375.49 359.27 19.38
5 2.3905 377.71 361.37 19.43
6 2.3953 327.18 363.48 18.09
7 2.4002 365.31 365.58 19.11
8 2.4051 367.69 367.68 19.18
9 2.4099 363.62 369.79 19.07
10 2.4148 355.30 371.90 18.85
11 2.4197 364.46 374.01 19.09
12 2.4245 406.40 376.13 20.16
13 2.4294 434.60 378.24 20.85
14 2.4343 366.58 380.37 19.15
15 2.4391 424.77 382.49 20.61
16 2.4440 408.15 384.63 20.20
17 2.4488 413.66 386.76 20.34
18 2.4537 415.55 388.91 20.39
19 2.4586 388.64 391.06 19.71
20 2.4634 372.86 393.38 19.31
21 2.4683 467.79 396.21 21.63
22 2.4732 434.80 399.05 20.85
23 2.4780 431.51 401.91 20.77
24 2.4829 454.17 404.79 21.31
25 2.4878 464.80 407.70 21.56
26 2.4926 452.65 410.63 21.28
27 2.4975 432.82 413.61 20.80
28 2.5023 430.39 416.63 20.75
29 2.5072 467.95 419.71 21.63
30 2.5121 486.09 422.88 22.05
31 2.5169 467.39 426.16 21.62
32 2.5218 464.08 429.59 21.54
33 2.5267 464.82 433.25 21.56
34 2.5315 481.42 437.24 21.94
35 2.5364 533.51 441.83 23.10
36 2.5412 518.23 447.55 22.76
37 2.5461 533.01 455.37 23.09
38 2.5510 512.28 466.80 22.63
39 2.5558 515.02 483.48 22.69
40 2.5607 522.16 505.98 22.85
41 2.5656 524.20 531.47 22.90
42 2.5704 526.74 549.78 22.95
43 2.5753 541.27 548.41 23.27
44 2.5802 500.60 531.12 22.37
45 2.5850 518.67 511.52 22.77
46 2.5899 501.46 496.64 22.39
47 2.5947 482.99 487.59 21.98
48 2.5996 477.52 483.20 21.85
49 2.6045 483.41 481.81 21.99
50 2.6093 488.78 482.08 22.11
51 2.6142 483.10 483.24 21.98
52 2.6191 486.07 484.87 22.05
53 2.6239 508.74 486.78 22.56
54 2.6288 504.59 488.89 22.46
55 2.6337 507.42 491.13 22.53
56 2.6385 506.57 493.47 22.51
57 2.6434 496.23 495.88 22.28
58 2.6483 496.92 498.38 22.29
59 2.6531 528.55 500.92 22.99
60 2.6580 524.99 503.51 22.91
61 2.6628 540.69 506.11 23.25
62 2.6677 532.53 508.74 23.08
63 2.6726 528.23 511.39 22.98
64 2.6774 543.41 514.06 23.31
65 2.6823 565.93 516.74 23.79
66 2.6872 556.23 519.42 23.58
67 2.6920 505.32 521.67 22.48
68 2.6969 544.61 522.73 23.34
69 2.7018 538.81 523.80 23.21
70 2.7066 529.94 524.88 23.02
71 2.7115 532.92 525.96 23.09
72 2.7163 546.91 527.05 23.39
73 2.7212 561.47 528.14 23.70
74 2.7261 565.02 529.23 23.77
75 2.7309 581.73 530.33 24.12
76 2.7358 588.03 531.43 24.25
77 2.7407 616.01 532.53 24.82
78 2.7455 631.80 533.63 25.14
79 2.7504 641.16 534.73 25.32
80 2.7552 641.23 535.84 25.32
81 2.7601 603.30 536.95 24.56
82 2.7650 676.00 538.06 26.00
83 2.7698 610.47 539.17 24.71
84 2.7747 639.66 540.28 25.29
85 2.7796 665.25 541.39 25.79
86 2.7844 677.36 542.51 26.03
87 2.7893 673.50 543.37 25.95
88 2.7942 652.47 544.50 25.54
89 2.7990 626.18 545.62 25.02
90 2.8039 663.60 546.75 25.76
91 2.8087 622.08 547.88 24.94
92 2.8136 607.83 549.00 24.65
93 2.8185 599.89 550.13 24.49
94 2.8233 605.64 551.25 24.61
95 2.8282 614.96 552.38 24.80
96 2.8331 599.83 553.50 24.49
97 2.8379 598.90 554.63 24.47
98 2.8428 583.59 555.76 24.16
99 2.8477 580.50 556.88 24.09
100 2.8525 563.53 558.01 23.74
101 2.8574 560.42 559.25 23.67
102 2.8623 573.85 560.51 23.96
103 2.8671 588.28 561.77 24.25
104 2.8720 589.45 563.02 24.28
105 2.8768 603.29 564.28 24.56
106 2.8817 573.97 565.54 23.96
107 2.8866 585.10 566.80 24.19
108 2.8914 570.50 568.05 23.89
109 2.8963 556.60 569.31 23.59
110 2.9012 564.10 570.57 23.75
111 2.9060 581.22 571.83 24.11
112 2.9109 567.68 573.09 23.83
113 2.9158 571.07 589.24 23.90
114 2.9206 586.96 591.19 24.23
115 2.9255 600.44 593.19 24.50
116 2.9303 594.27 595.23 24.38
117 2.9352 595.79 597.34 24.41
118 2.9401 611.88 599.52 24.74
119 2.9449 606.54 601.76 24.63
120 2.9498 605.15 604.09 24.60
121 2.9547 578.89 606.50 24.06
122 2.9595 621.47 609.01 24.93
123 2.9644 622.37 611.63 24.95
124 2.9692 619.33 614.37 24.89
125 2.9741 622.19 617.25 24.94
126 2.9790 619.28 620.28 24.89
127 2.9838 617.33 623.49 24.85
128 2.9887 617.41 626.90 24.85
129 2.9936 618.41 630.54 24.87
130 2.9984 641.04 634.43 25.32
131 3.0033 636.23 638.63 25.22
132 3.0082 631.15 643.17 25.12
133 3.0130 639.95 648.11 25.30
134 3.0179 642.29 653.53 25.34
135 3.0227 614.40 659.49 24.79
136 3.0276 643.99 666.12 25.38
137 3.0325 655.14 673.52 25.60
138 3.0373 673.80 681.87 25.96
139 3.0422 687.51 691.36 26.22
140 3.0471 705.37 702.25 26.56
141 3.0519 746.97 714.87 27.33
142 3.0568 823.36 729.66 28.69
143 3.0617 890.05 747.21 29.83
144 3.0665 939.29 768.28 30.65
145 3.0714 950.93 793.98 30.84
146 3.0763 941.89 825.83 30.69
147 3.0811 908.55 866.08 30.14
148 3.0860 886.27 918.38 29.77
149 3.0908 918.50 989.29 30.31
150 3.0957 997.87 1092.18 31.59
151 3.1006 1180.99 1254.88 34.37
152 3.1054 1499.77 1530.01 38.73
153 3.1103 2116.15 1998.93 46.00
154 3.1152 3224.75 2753.72 56.79
155 3.1200 4805.41 3841.01 69.32
156 3.1249 6570.95 5148.89 81.06
157 3.1298 7981.62 6207.48 89.34
158 3.1346 8260.82 6271.20 90.89
159 3.1395 6867.98 5284.53 82.87
160 3.1443 4804.35 3974.95 69.31
161 3.1492 3178.13 2858.48 56.37
162 3.1541 2129.66 2072.82 46.15
163 3.1589 1504.71 1581.16 38.79
164 3.1638 1126.49 1292.94 33.56
165 3.1687 964.64 1124.15 31.06
166 3.1735 852.53 1019.27 29.20
167 3.1784 786.80 948.40 28.05
168 3.1832 767.82 897.09 27.71
169 3.1881 747.45 858.31 27.34
170 3.1930 736.75 828.24 27.14
171 3.1978 726.82 804.51 26.96
172 3.2027 709.98 785.53 26.65
173 3.2076 737.02 770.18 27.15
174 3.2124 730.05 757.66 27.02
175 3.2173 692.97 747.35 26.32
176 3.2222 717.30 738.82 26.78
177 3.2270 720.90 731.71 26.85
178 3.4799 1045.89 882.88 32.34
179 3.4848 1043.24 919.48 32.30
180 3.4897 1115.26 979.94 33.40
181 3.4945 1196.74 1081.35 34.59
182 3.4994 1276.47 1243.33 35.73
183 3.5043 1481.92 1477.45 38.50
184 3.5091 1576.38 1765.92 39.70
185 3.5140 1701.26 2024.48 41.25
186 3.5188 1708.21 2097.26 41.33
187 3.5237 1679.21 1928.31 40.98
188 3.5286 1582.35 1654.33 39.78
189 3.5334 1447.08 1402.87 38.04
190 3.5383 1332.38 1224.67 36.50
191 3.5432 1232.95 1124.42 35.11
192 3.5480 1207.54 1093.36 34.75
193 3.5529 1206.81 1125.23 34.74
194 3.5577 1265.70 1220.59 35.58
195 3.5626 1382.40 1379.36 37.18
196 3.5675 1557.78 1583.34 39.47
197 3.5723 1706.07 1765.96 41.30
198 3.5772 1710.41 1808.83 41.36
199 3.5821 1668.80 1669.98 40.85
200 3.5869 1101.67 1450.14 33.19
201 3.5918 969.34 1246.83 31.13
202 3.5967 957.99 1095.38 30.95
203 3.6015 978.92 996.16 31.29
204 3.6064 957.36 936.18 30.94
205 3.6112 898.78 900.85 29.98
206 3.6161 896.69 879.32 29.94
207 3.6210 903.83 865.20 30.06
208 3.6258 877.65 855.27 29.63
209 3.6307 857.37 847.97 29.28
210 3.6356 851.55 842.50 29.18
211 3.6404 909.49 838.39 30.16
212 3.6453 977.72 835.32 31.27
213 3.6502 976.03 833.10 31.24
214 3.6550 926.14 831.57 30.43
215 3.6599 980.38 830.63 31.31
216 3.6648 947.84 830.23 30.79
217 3.6696 944.00 830.34 30.72
218 3.6745 930.84 830.93 30.51
219 3.6793 948.32 832.03 30.79
220 3.6842 944.15 833.68 30.73
221 3.6891 869.97 835.98 29.50
222 3.6939 1022.40 839.04 31.98
223 3.6988 1027.77 843.07 32.06
224 3.7037 964.43 848.40 31.06
225 3.7085 1012.09 855.59 31.81
226 3.7134 1036.89 865.78 32.20
227 3.7183 1045.62 881.37 32.34
228 3.7231 1071.71 907.00 32.74
229 3.7280 1101.35 950.51 33.19
230 3.7328 1096.78 1022.21 33.12
231 3.7377 1192.45 1130.94 34.53
232 3.7426 1264.84 1275.97 35.56
233 3.7474 1300.35 1428.96 36.06
234 3.7523 1345.01 1528.15 36.67
235 3.7572 1334.79 1498.29 36.53
236 3.7620 1230.01 1364.26 35.07
237 3.7669 1148.23 1208.47 33.89
238 3.7717 1144.19 1079.12 33.83
239 3.7766 1048.39 988.30 32.38
240 3.7815 970.10 931.18 31.15
241 3.7863 953.36 897.56 30.88
242 3.7912 923.84 877.93 30.39
243 3.7961 906.76 865.89 30.11
244 3.8009 939.36 858.20 30.65
245 3.8058 842.44 850.25 29.02
246 3.8107 871.35 846.22 29.52
247 3.8155 879.47 843.21 29.66
248 3.8204 867.84 840.96 29.46
249 3.8252 848.38 839.27 29.13
250 3.8301 850.09 838.01 29.16
251 3.8350 866.78 837.10 29.44
252 3.8398 856.94 836.46 29.27
253 3.8447 810.70 836.03 28.47
254 3.8496 867.04 835.78 29.45
255 3.8544 823.72 835.67 28.70
256 3.8593 812.83 835.61 28.51
257 3.8642 855.18 835.65 29.24
258 3.8690 878.03 835.77 29.63
259 3.8739 849.91 835.96 29.15
260 3.8788 852.76 836.22 29.20
261 3.8836 918.55 836.52 30.31
262 3.8885 854.81 836.87 29.24
263 3.8933 880.54 837.26 29.67
264 3.8982 903.42 837.68 30.06
265 3.9031 889.44 838.13 29.82
266 3.9079 883.46 838.61 29.72
267 3.9128 908.92 839.12 30.15
268 3.9177 863.43 839.64 29.38
269 3.9225 854.50 840.73 29.23
270 3.9274 881.17 841.31 29.68
271 3.9323 853.89 841.92 29.22
272 3.9371 845.08 842.54 29.07
273 3.9420 861.38 843.17 29.35
274 3.9468 864.85 843.82 29.41
275 3.9517 836.05 844.48 28.91
276 3.9566 881.46 843.54 29.69
277 3.9614 834.08 842.62 28.88
278 3.9663 843.79 841.71 29.05
279 3.9712 851.57 840.81 29.18
280 3.9760 859.42 839.93 29.32
281 3.9809 860.21 839.06 29.33
282 3.9857 848.17 836.53 29.12
283 3.9906 832.53 835.76 28.85
284 3.9955 869.16 835.01 29.48
285 4.0003 852.94 834.28 29.21
286 4.0052 839.72 833.57 28.98
287 4.0101 835.00 832.88 28.90
288 4.0149 851.35 832.21 29.18
289 4.0198 861.70 831.57 29.35
290 4.0247 840.06 830.97 28.98
291 4.0295 801.40 830.34 28.31
292 4.0344 832.43 829.69 28.85
293 4.0392 842.76 829.09 29.03
294 4.0441 848.68 828.57 29.13
295 4.0490 868.02 828.12 29.46
296 4.0538 868.58 827.78 29.47
297 4.3505 762.14 765.98 27.61
298 4.3554 775.90 765.68 27.86
299 4.3602 788.33 765.74 28.08
300 4.3651 775.55 766.71 27.85
301 4.3700 804.98 769.32 28.37
302 4.3748 829.52 774.93 28.80
303 4.3797 810.05 785.57 28.46
304 4.3846 843.84 803.55 29.05
305 4.3894 933.68 830.37 30.56
306 4.3943 1032.20 864.82 32.13
307 4.3992 1116.76 899.47 33.42
308 4.4040 1178.44 919.92 34.33
309 4.4089 1187.79 910.85 34.46
310 4.4138 1111.81 877.53 33.34
311 4.4186 970.25 837.54 31.15
312 4.4235 926.30 802.41 30.44
313 4.4283 856.51 775.96 29.27
314 4.4332 798.21 757.85 28.25
315 4.4381 785.72 746.04 28.03
316 4.4429 804.12 738.24 28.36
317 4.4478 798.95 732.74 28.27
318 4.4527 745.27 735.35 27.30
319 4.4575 713.40 731.99 26.71
320 4.4624 706.49 729.06 26.58
321 4.4672 712.93 726.42 26.70
322 4.4721 722.37 723.72 26.88
323 4.4770 723.47 721.46 26.90
324 4.4818 713.64 719.33 26.71
325 4.4867 727.90 717.30 26.98
326 4.4916 743.80 715.36 27.27
327 4.4964 732.40 713.49 27.06
328 4.5013 707.98 711.69 26.61
329 4.5062 693.57 709.94 26.34
330 4.5110 698.92 705.01 26.44
331 4.5159 715.83 700.12 26.75
332 4.5208 720.58 695.28 26.84
333 4.5256 682.60 690.49 26.13
334 4.5305 692.91 685.73 26.32
335 4.5353 705.79 681.02 26.57
336 4.5402 701.04 676.35 26.48
337 4.5451 703.99 671.72 26.53
338 4.5499 696.57 667.14 26.39
339 4.5548 670.82 662.60 25.90
340 4.5597 665.11 658.12 25.79
341 4.5645 639.97 653.68 25.30
342 4.5694 618.53 650.70 24.87
343 4.5743 631.66 650.53 25.13
344 4.5791 641.21 650.42 25.32
345 4.5840 660.18 650.38 25.69
346 4.5888 666.78 650.42 25.82
347 4.5937 645.95 650.55 25.42
348 4.5986 644.07 650.77 25.38
349 4.8466 633.02 730.20 25.16
350 4.8515 640.43 715.54 25.31
351 4.8563 662.96 703.87 25.75
352 4.8612 620.94 694.36 24.92
353 4.8661 601.66 686.53 24.53
354 4.8709 571.31 680.10 23.90
355 4.8758 609.83 674.79 24.69
356 4.8807 630.01 670.56 25.10
357 4.8855 644.88 676.49 25.39
358 4.8904 656.76 674.51 25.63
359 4.8952 667.61 673.42 25.84
360 4.9001 673.29 673.22 25.95
361 4.9050 654.09 673.92 25.58
362 4.9098 655.54 675.57 25.60
363 4.9147 665.85 678.24 25.80
364 4.9196 731.94 682.05 27.05
365 4.9244 729.59 696.97 27.01
366 4.9293 707.24 703.90 26.59
367 4.9342 691.47 712.60 26.30
368 4.9390 659.86 723.42 25.69
369 4.9439 634.44 736.85 25.19
370 4.9488 609.40 753.53 24.69
371 4.9536 611.62 774.35 24.73
372 4.9585 645.22 800.67 25.40
373 4.9633 681.38 834.66 26.10
374 4.9682 736.96 880.31 27.15
375 4.9731 816.39 945.58 28.57
376 4.9779 911.56 1045.97 30.19
377 4.9828 1074.12 1209.44 32.77
378 4.9877 1262.63 1479.22 35.53
379 4.9925 1615.75 1908.64 40.20
380 4.9974 2120.08 2543.80 46.04
381 5.0023 2742.76 3390.15 52.37
382 5.0071 3380.24 4366.40 58.14
383 5.0120 3980.95 5238.76 63.09
384 5.0168 4444.01 5621.03 66.66
385 5.0217 4028.12 5276.47 63.47
386 5.0266 3380.96 4423.24 58.15
387 5.0314 2819.75 3450.84 53.10
388 5.0363 2280.02 2601.39 47.75
389 5.0412 1858.73 1962.22 43.11
390 5.0460 1574.02 1530.84 39.67
391 5.0509 1366.77 1262.60 36.97
392 5.0557 1162.91 1104.10 34.10
393 5.0606 1069.14 1011.78 32.70
394 5.0655 993.81 957.31 31.52
395 5.0703 981.24 925.14 31.32
396 5.0752 982.49 907.67 31.34
397 5.0801 997.39 901.55 31.58
398 5.0849 1030.82 905.68 32.11
399 5.0898 1088.62 920.44 32.99
400 5.0947 1162.89 947.95 34.10
401 5.0995 1158.33 986.76 34.03
402 5.1044 1235.56 1061.33 35.15
403 5.1093 1356.22 1185.16 36.83
404 5.1141 1524.10 1391.07 39.04
405 5.1190 1891.12 1722.79 43.49
406 5.1238 2529.76 2222.78 50.30
407 5.1287 3473.11 2910.42 58.93
408 5.1336 4740.01 3746.74 68.85
409 5.1384 6180.69 4591.15 78.62
410 5.1433 6996.60 5165.50 83.65
411 5.1482 6914.63 5207.71 83.15
412 5.1530 6156.55 4794.89 78.46
413 5.1579 5172.13 4282.68 71.92
414 5.1627 4410.77 3976.12 66.41
415 5.1676 4154.61 4019.72 64.46
416 5.1725 4408.25 4411.34 66.39
417 5.1773 4808.17 5000.71 69.34
418 5.1822 5095.22 5469.48 71.38
419 5.1871 4936.09 5444.30 70.26
420 5.1919 4483.84 4841.74 66.96
421 5.1968 3839.70 3938.93 61.97
422 5.2017 3086.26 3035.50 55.55
423 5.2065 2351.49 2286.80 48.49
424 5.2114 1849.85 1736.70 43.01
425 5.2162 1527.24 1366.67 39.08
426 5.2211 1318.53 1131.77 36.31
427 5.2260 1256.33 985.11 35.44
428 5.4205 605.79 518.62 24.61
429 5.4254 580.26 541.40 24.09
430 5.4303 586.62 572.84 24.22
431 5.4351 627.73 610.92 25.05
432 5.4400 661.58 649.03 25.72
433 5.4448 714.13 674.29 26.72
434 5.4497 679.52 663.68 26.07
435 5.4546 635.79 636.50 25.22
436 5.4594 585.68 596.17 24.20
437 5.4643 542.38 555.65 23.29
438 5.4692 501.10 521.68 22.39
439 5.4740 468.36 496.34 21.64
440 5.4789 455.71 478.97 21.35
441 5.4837 442.67 467.69 21.04
442 5.4886 434.93 460.91 20.85
443 5.4935 436.30 457.62 20.89
444 5.4983 454.02 455.72 21.31
445 5.5032 443.33 454.62 21.06
446 5.5081 460.92 454.03 21.47
447 5.5129 485.05 453.79 22.02
448 5.5178 446.88 453.83 21.14
449 5.5227 457.67 454.12 21.39
450 5.5275 446.85 454.64 21.14
451 5.5324 471.20 455.40 21.71
452 5.5372 463.48 456.42 21.53
453 5.7075 533.02 492.66 23.09
454 5.7123 546.21 493.86 23.37
455 5.7172 586.43 495.12 24.22
456 5.7221 579.72 496.02 24.08
457 5.7269 589.89 497.42 24.29
458 5.7318 554.22 498.88 23.54
459 5.7367 548.60 500.40 23.42
460 5.7415 561.68 501.99 23.70
461 5.7464 559.77 503.66 23.66
462 5.7512 535.32 505.41 23.14
463 5.7561 540.04 538.49 23.24
464 5.7610 582.51 540.97 24.14
465 5.7658 498.08 541.88 22.32
466 5.7707 506.01 542.99 22.49
467 5.7756 541.48 544.35 23.27
468 5.7804 525.84 545.97 22.93
469 5.7853 491.80 547.90 22.18
470 5.7902 519.57 550.18 22.79
471 5.7950 528.72 552.88 22.99
472 5.7999 556.06 556.08 23.58
473 5.8047 511.45 559.85 22.62
474 5.8096 533.41 564.34 23.10
475 5.8145 527.19 569.72 22.96
476 5.8193 508.39 576.23 22.55
477 5.8242 511.81 584.32 22.62
478 5.8291 541.21 594.77 23.26
479 5.8339 551.27 609.05 23.48
480 5.8388 639.09 629.86 25.28
481 5.8437 645.04 661.63 25.40
482 5.8485 690.68 710.72 26.28
483 5.8534 759.55 784.63 27.56
484 5.8582 845.77 889.67 29.08
485 5.8631 958.01 1027.39 30.95
486 5.8680 1101.15 1189.76 33.18
487 5.8728 1245.02 1355.18 35.28
488 5.8777 1327.46 1476.34 36.43
489 5.8826 1371.65 1509.33 37.04
490 5.8874 1308.99 1450.25 36.18
491 5.8923 1263.71 1338.80 35.55
492 5.8972 1229.81 1216.98 35.07
493 5.9020 1174.66 1107.95 34.27
494 5.9069 1094.84 1023.79 33.09
495 5.9117 1042.67 973.43 32.29
496 5.9166 1011.27 962.82 31.80
497 5.9215 1049.71 995.48 32.40
498 5.9263 1051.78 1073.53 32.43
499 5.9312 1137.25 1196.34 33.72
500 5.9361 1324.53 1357.22 36.39
501 5.9409 1554.85 1538.30 39.43
502 5.9458 1762.34 1705.33 41.98
503 5.9507 1950.80 1813.75 44.17
504 5.9555 2041.41 1844.50 45.18
505 5.9604 1974.87 1832.39 44.44
506 5.9653 1980.90 1843.23 44.51
507 5.9701 2121.32 1952.47 46.06
508 5.9750 2429.53 2254.38 49.29
509 5.9798 2944.32 2890.94 54.26
510 5.9847 3765.03 4050.98 61.36
511 5.9896 5096.29 5927.19 71.39
512 5.9944 7530.65 8615.42 86.78
513 5.9993 10988.50 11963.50 104.83
514 6.0042 14943.50 15409.10 122.24
515 6.0090 18125.40 17859.60 134.63
516 6.0139 19296.70 18090.30 138.91
517 6.0188 17873.60 15957.50 133.69
518 6.0236 14351.80 12583.20 119.80
519 6.0285 10354.50 9142.33 101.76
520 6.0333 7167.36 6286.07 84.66
521 6.0382 5440.09 4224.52 73.76
522 6.0431 4821.84 2889.93 69.44
523 6.4273 320.16 318.64 17.89
524 6.4322 374.96 317.10 19.36
525 6.4370 316.18 315.60 17.78
526 6.4419 344.34 314.18 18.56
527 6.4467 369.67 312.80 19.23
528 6.4516 399.21 311.44 19.98
529 6.4565 441.08 310.11 21.00
530 6.4613 456.48 306.72 21.37
531 6.4662 424.18 305.52 20.60
532 6.4711 524.46 304.34 22.90
533 6.4759 471.68 303.21 21.72
534 6.4808 450.18 302.12 21.22
535 6.4857 440.34 301.09 20.98
536 6.4905 439.95 300.14 20.98
537 6.4954 450.32 299.32 21.22
538 6.5002 456.39 298.70 21.36
539 6.5051 411.60 298.43 20.29
540 6.5100 471.24 298.74 21.71
541 6.5148 462.80 299.92 21.51
542 6.5197 437.87 302.34 20.93
543 6.5246 419.06 306.26 20.47
544 6.5294 421.70 311.77 20.54
545 6.5343 439.52 326.78 20.96
546 6.5392 451.12 334.25 21.24
547 6.5440 441.39 340.32 21.01
548 6.5489 457.04 342.74 21.38
549 6.5538 454.25 340.17 21.31
550 6.5586 419.94 333.53 20.49
551 6.5635 392.90 325.05 19.82
552 6.5683 369.35 315.71 19.22
553 6.5732 349.93 308.57 18.71
554 6.5781 346.82 303.12 18.62
555 6.5829 369.49 299.41 19.22
556 6.5878 353.39 297.25 18.80
557 6.5927 386.81 296.44 19.67
558 6.5975 387.57 296.89 19.69
559 6.6024 375.89 298.78 19.39
560 6.6072 359.70 302.59 18.97
561 6.6121 356.72 309.11 18.89
562 6.6170 383.48 319.30 19.58
563 6.6218 426.70 333.98 20.66
564 6.6267 366.86 353.43 19.15
565 6.6316 420.43 376.82 20.50
566 6.6364 414.27 401.69 20.35
567 6.6413 448.25 423.35 21.17
568 6.6462 453.79 435.43 21.30
569 6.6510 427.30 433.55 20.67
570 6.6559 393.02 419.48 19.82
571 6.6607 368.45 399.44 19.20
572 6.6656 360.31 379.30 18.98
573 6.6705 346.05 362.80 18.60
574 6.6753 309.54 351.70 17.59
575 6.6802 313.32 346.49 17.70
576 6.6851 330.98 362.23 18.19
577 6.6899 335.65 368.49 18.32
578 6.6948 346.35 379.80 18.61
579 6.6997 379.51 396.53 19.48
580 6.7045 350.86 420.34 18.73
581 6.7094 399.45 456.08 19.99
582 6.7142 531.36 518.20 23.05
583 6.7191 661.21 646.76 25.71
584 6.7240 936.56 928.32 30.60
585 6.7288 1461.75 1520.19 38.23
586 6.7337 2393.23 2614.01 48.92
587 6.7386 3902.65 4308.11 62.47
588 6.7434 6049.36 6421.12 77.78
589 6.7483 8587.51 8364.92 92.67
590 6.7532 9055.52 9254.19 95.16
591 6.7580 8043.02 8541.09 89.68
592 6.7629 6124.63 6672.74 78.26
593 6.7677 4148.29 4541.90 64.41
594 6.7726 2639.11 2782.11 51.37
595 6.7775 1688.30 1619.64 41.09
596 6.7823 1097.69 978.72 33.13
597 6.7872 781.16 670.60 27.95
598 6.7921 548.81 531.25 23.43
599 6.7969 453.85 464.64 21.30
600 6.8018 412.94 427.33 20.32
601 6.8067 404.43 402.89 20.11
602 6.8115 378.66 385.52 19.46
603 6.8164 340.69 372.95 18.46
604 6.8212 339.36 364.06 18.42
605 6.8261 309.62 358.15 17.60
606 6.8310 299.70 356.02 17.31
607 6.8358 280.97 354.99 16.76
608 6.8407 282.08 356.11 16.80
609 6.8456 286.44 359.36 16.92
610 6.8504 273.54 364.84 16.54
611 6.8553 273.28 372.73 16.53
612 6.8602 317.34 383.25 17.81
613 6.8650 334.73 397.04 18.30
614 6.8699 312.16 414.62 17.67
615 6.8748 353.24 436.92 18.79
616 6.8796 387.00 465.17 19.67
617 6.8845 403.37 501.38 20.08
618 6.8893 468.82 548.97 21.65
619 6.8942 600.99 614.79 24.52
620 6.8991 765.94 713.38 27.68
621 6.9039 938.62 874.60 30.64
622 6.9088 1287.09 1153.22 35.88
623 6.9137 1828.05 1634.19 42.76
624 6.9185 2627.15 2420.13 51.26
625 6.9234 3842.89 3592.32 61.99
626 6.9282 5370.21 5142.22 73.28
627 6.9331 6960.36 6893.69 83.43
628 6.9380 8245.66 8421.31 90.81
629 6.9428 8774.59 9084.61 93.67
630 6.9477 8008.46 8501.89 89.49
631 6.9526 6008.22 7011.58 77.51
632 6.9574 4273.35 5257.49 65.37
633 6.9623 2969.40 3684.01 54.49
634 6.9672 2055.81 2483.13 45.34
635 6.9720 1440.75 1671.94 37.96
636 6.9769 1041.20 1165.59 32.27
637 6.9817 795.73 877.91 28.21
638 6.9866 640.69 714.60 25.31
639 6.9915 556.96 620.32 23.60
640 6.9963 534.43 566.13 23.12
641 7.0012 546.72 539.69 23.38
642 7.0061 580.32 537.37 24.09
643 7.0109 634.28 558.73 25.18
644 7.0158 684.73 603.13 26.17
645 7.0207 723.70 667.19 26.90
646 7.0255 802.86 742.68 28.33
647 7.0304 905.01 814.58 30.08
648 7.0352 911.12 860.90 30.18
649 7.0401 867.65 860.39 29.46
650 7.0450 777.73 808.20 27.89
651 7.0498 675.58 720.22 25.99
652 7.0547 559.84 619.05 23.66
653 7.0596 457.79 522.01 21.40
654 7.0644 433.52 438.88 20.82
655 7.0693 383.81 373.54 19.59
656 7.0742 360.08 325.67 18.98
657 7.0790 349.14 292.61 18.69
658 7.0839 346.16 270.84 18.61
659 7.0887 333.58 257.13 18.26
660 7.0936 316.02 249.15 17.78
661 7.0985 306.61 245.80 17.51
662 7.1033 298.34 246.90 17.27
663 7.1082 233.76 253.74 15.29
664 7.1131 269.13 268.79 16.41
665 7.1179 302.65 295.61 17.40
666 7.1228 332.33 338.35 18.23
667 7.1277 376.53 400.66 19.40
668 7.1325 449.59 483.96 21.20
669 7.1374 596.07 585.54 24.41
670 7.1423 824.20 696.47 28.71
671 7.1471 1037.28 799.54 32.21
672 7.1520 1242.71 869.40 35.25
673 7.1568 1291.18 881.32 35.93
674 7.1617 1132.19 829.40 33.65
675 7.1666 931.29 731.99 30.52
676 7.1714 708.71 616.70 26.62
677 7.1763 494.35 503.40 22.23
678 7.1812 335.44 405.04 18.32
679 7.1860 263.78 326.90 16.24
680 7.1909 221.62 269.04 14.89
681 7.1957 176.59 228.55 13.29
682 7.2006 168.48 201.19 12.98
683 7.2055 155.64 168.12 12.48
684 7.2103 141.04 156.11 11.88
685 7.2152 148.27 147.58 12.18
686 7.2201 147.18 141.12 12.13
687 7.2249 101.72 135.91 10.09
688 7.2298 109.69 131.51 10.47
689 7.2347 126.99 127.68 11.27
690 7.2395 108.71 124.26 10.43
691 7.2444 101.82 121.67 10.09
692 7.2492 113.29 120.41 10.64
693 7.2541 136.04 119.37 11.66
694 7.2590 139.21 118.50 11.80
695 7.2638 116.18 117.81 10.78
696 7.2687 116.79 117.23 10.81
697 7.2736 119.94 116.76 10.95
698 7.2784 130.39 116.40 11.42
699 7.2833 134.81 116.11 11.61
700 7.2882 140.91 115.91 11.87
701 7.2930 156.72 115.77 12.52
702 7.2979 172.09 115.68 13.12
703 7.3027 180.17 115.66 13.42
704 7.3076 183.43 115.68 13.54
705 7.3125 165.95 115.76 12.88
706 7.3173 179.73 115.87 13.41
707 7.3222 224.04 116.03 14.97
708 7.3271 242.02 116.24 15.56
709 7.3319 229.09 116.48 15.14
710 7.3368 238.95 116.77 15.46
711 7.3417 255.45 117.10 15.98
712 7.3465 235.72 117.48 15.35
713 7.3514 235.92 117.90 15.36
714 7.3562 293.30 118.39 17.13
715 7.3611 286.81 118.94 16.94
716 7.3660 293.24 118.59 17.12
717 7.3708 271.34 119.35 16.47
718 7.3757 264.38 120.36 16.26
719 7.3806 283.05 121.49 16.82
720 7.3854 289.19 122.96 17.01
721 7.3903 244.33 124.97 15.63
722 7.3952 263.68 127.79 16.24
723 7.4000 271.90 131.75 16.49
724 7.4049 293.73 137.18 17.14
725 7.4097 266.77 144.78 16.33
726 7.4146 264.35 153.61 16.26
727 7.4195 268.84 163.73 16.40
728 7.4243 270.06 174.22 16.43
729 7.4292 292.73 183.54 17.11
730 7.4341 337.79 189.69 18.38
731 7.4389 304.86 191.18 17.46
732 7.4438 297.86 188.29 17.26
733 7.4487 312.12 182.96 17.67
734 7.4535 268.39 177.60 16.38
735 7.4584 244.53 174.36 15.64
736 7.4632 232.76 175.18 15.26
737 7.4681 206.72 181.99 14.38
738 7.4730 220.37 196.84 14.84
739 7.4778 227.38 221.69 15.08
740 7.4827 211.80 258.10 14.55
741 7.4876 251.29 305.12 15.85
742 7.4924 318.57 363.42 17.85
743 7.4973 345.98 426.87 18.60
744 7.5022 374.95 486.67 19.36
745 7.5070 424.69 530.02 20.61
746 7.5119 465.30 543.79 21.57
747 7.5167 544.77 523.02 23.34
748 7.5216 533.03 475.09 23.09
749 7.5265 488.85 413.69 22.11
750 7.5313 477.54 350.77 21.85
751 7.5362 410.87 294.08 20.27
752 7.5411 358.13 247.56 18.92
753 7.5459 326.20 212.62 18.06
754 7.5508 282.17 187.48 16.80
755 7.5557 252.28 170.57 15.88
756 7.5605 273.08 159.68 16.53
757 7.5654 186.04 152.86 13.64
758 7.6432 178.62 142.55 13.36
759 7.6481 163.12 143.03 12.77
760 7.6529 168.96 143.74 13.00
761 7.6578 181.13 144.68 13.46
762 7.6627 202.90 145.92 14.24
763 7.6675 199.15 147.54 14.11
764 7.6724 172.76 149.72 13.14
765 7.6772 175.70 152.71 13.26
766 7.6821 197.94 156.85 14.07
767 7.6870 155.89 162.51 12.49
768 7.6918 134.75 170.07 11.61
769 7.6967 132.24 179.51 11.50
770 7.7016 164.82 189.68 12.84
771 7.7064 179.96 202.10 13.42
772 7.7113 176.04 216.43 13.27
773 7.7162 181.77 232.07 13.48
774 7.7210 189.24 248.75 13.76
775 7.7259 238.17 266.53 15.43
776 7.7307 293.97 287.42 17.15
777 7.7356 312.58 313.53 17.68
778 7.7405 356.78 345.39 18.89
779 7.7453 434.74 380.81 20.85
780 7.7502 513.83 414.42 22.67
781 7.7551 574.60 437.69 23.97
782 7.7599 619.38 441.85 24.89
783 7.7648 610.27 423.28 24.70
784 7.7697 592.84 386.48 24.35
785 7.7745 449.28 340.31 21.20
786 7.7794 409.14 292.75 20.23
787 7.7842 352.01 249.50 18.76
788 7.7891 311.01 213.29 17.64
789 7.7940 276.77 185.12 16.64
790 7.7988 222.58 164.48 14.92
791 7.8037 188.94 150.12 13.75
792 7.8086 188.41 140.53 13.73
793 7.8134 184.75 134.34 13.59
794 7.8183 179.91 130.38 13.41
795 7.8232 174.92 127.98 13.23
796 7.8280 147.45 126.75 12.14
797 7.9496 448.86 594.83 21.19
798 7.9545 488.53 640.44 22.10
799 7.9593 554.12 711.75 23.54
800 7.9642 629.19 798.32 25.08
801 7.9691 717.33 882.14 26.78
802 7.9739 843.03 939.39 29.03
803 7.9788 855.60 948.12 29.25
804 7.9837 780.14 900.83 27.93
805 7.9885 700.68 809.01 26.47
806 7.9934 592.84 693.99 24.35
807 7.9983 488.33 575.31 22.10
808 8.0031 385.38 466.55 19.63
809 8.0080 280.19 375.10 16.74
810 8.0128 236.12 303.61 15.37
811 8.0177 178.07 251.19 13.34
812 8.0226 150.02 214.98 12.25
813 8.0274 172.79 191.40 13.15
814 8.0323 176.12 177.19 13.27
815 8.0372 139.81 169.85 11.82
816 8.0420 109.89 167.85 10.48
817 8.0469 112.43 171.54 10.60
818 8.0517 123.55 180.00 11.12
819 8.0566 143.18 192.35 11.97
820 8.0615 195.40 207.95 13.98
821 8.0663 182.07 225.56 13.49
822 8.0712 204.10 243.07 14.29
823 8.0761 219.26 260.46 14.81
824 8.0809 246.35 268.68 15.70
825 8.0858 266.96 268.12 16.34
826 8.0907 251.72 259.25 15.87
827 8.0955 219.60 244.90 14.82
828 8.1004 246.68 228.43 15.71
829 8.1052 204.96 212.47 14.32
830 8.1101 201.33 198.30 14.19
831 8.1150 185.88 187.52 13.63
832 8.1198 185.99 179.92 13.64
833 8.1247 199.16 175.26 14.11
834 8.1296 196.00 173.11 14.00
835 8.1344 169.97 173.08 13.04
836 8.1393 189.97 174.64 13.78
837 8.1442 231.09 177.59 15.20
838 8.1490 297.57 181.74 17.25
839 8.1539 253.32 186.91 15.92
840 8.1587 241.57 192.84 15.54
841 8.1636 226.51 199.18 15.05
842 8.1685 204.32 205.35 14.29
843 8.1733 208.56 210.65 14.44
844 8.1782 250.47 214.38 15.83
845 8.1831 231.35 216.33 15.21
846 8.1879 238.61 216.90 15.45
847 8.1928 220.32 216.87 14.84
848 8.1977 241.42 216.99 15.54
849 8.3484 274.26 296.00 16.56
850 8.3533 296.86 287.48 17.23
851 8.3582 242.70 281.36 15.58
852 8.3630 247.32 278.68 15.73
853 8.3679 258.38 277.28 16.07
854 8.3727 294.78 277.14 17.17
855 8.3776 310.44 277.90 17.62
856 8.3825 303.17 279.30 17.41
857 8.3873 301.75 281.14 17.37
858 8.3922 290.61 283.30 17.05
859 8.3971 295.32 285.70 17.18
860 8.4019 346.89 288.29 18.62
861 8.4068 376.69 291.04 19.41
862 8.4117 355.47 293.95 18.85
863 8.4165 360.29 297.03 18.98
864 8.4214 386.23 300.31 19.65
865 8.4263 389.65 303.87 19.74
866 8.4311 363.94 308.92 19.08
867 8.4360 385.57 313.45 19.64
868 8.4408 378.70 318.78 19.46
869 8.4457 398.55 325.04 19.96
870 8.4506 424.76 332.94 20.61
871 8.4554 439.66 342.61 20.97
872 8.4603 419.42 354.25 20.48
873 8.9077 661.06 595.29 25.71
874 8.9126 651.09 591.54 25.52
875 8.9175 621.30 588.14 24.93
876 8.9223 632.84 585.06 25.16
877 8.9272 659.19 582.28 25.67
878 8.9321 631.22 579.80 25.12
879 8.9369 615.53 577.65 24.81
880 8.9418 623.49 575.87 24.97
881 8.9467 610.00 574.52 24.70
882 8.9515 652.07 573.73 25.54
883 8.9564 614.37 573.66 24.79
884 8.9612 652.34 574.55 25.54
885 8.9661 657.64 576.71 25.64
886 8.9710 627.38 580.64 25.05
887 8.9758 657.64 587.00 25.64
888 8.9807 703.21 596.74 26.52
889 8.9856 703.80 611.08 26.53
890 8.9904 684.32 631.50 26.16
891 8.9953 724.89 659.79 26.92
892 9.0002 727.75 696.87 26.98
893 9.0050 712.93 743.89 26.70
894 9.0099 755.72 800.79 27.49
895 9.0147 787.26 865.82 28.06
896 9.0196 830.17 934.85 28.81
897 9.0245 915.96 1000.86 30.26
898 9.0293 1017.94 1053.98 31.91
899 9.0342 1080.58 1083.17 32.87
900 9.0391 1136.15 1080.48 33.71
901 9.0439 1246.79 1045.78 35.31
902 9.0488 1220.02 986.93 34.93
903 9.0537 1188.76 915.13 34.48
904 9.0585 1077.67 840.64 32.83
905 9.0634 974.11 770.88 31.21
906 9.0682 896.71 710.43 29.95
907 9.0731 816.31 661.33 28.57
908 9.0780 724.58 623.54 26.92
909 9.0828 675.82 595.56 26.00
910 9.0877 670.81 575.04 25.90
911 9.0926 687.01 559.53 26.21
912 9.0974 638.36 547.06 25.27
913 9.1023 595.78 536.51 24.41
914 9.1072 599.62 527.42 24.49
915 9.1120 595.57 519.79 24.40
916 9.1169 565.91 513.86 23.79
917 9.1217 559.07 510.04 23.64
918 9.1266 560.26 508.84 23.67
919 9.1315 542.84 510.86 23.30
920 9.1363 515.01 515.71 22.69
921 9.1412 490.96 525.70 22.16
922 9.1461 496.31 539.97 22.28
923 9.1509 493.04 558.12 22.20
924 9.1558 504.36 579.13 22.46
925 9.1607 535.77 601.13 23.15
926 9.1655 559.07 621.38 23.64
927 9.1704 600.85 636.38 24.51
928 9.1752 646.40 642.55 25.42
929 9.1801 658.53 637.85 25.66
930 9.1850 605.19 622.94 24.60
931 9.1898 591.76 600.85 24.33
932 9.1947 589.00 575.34 24.27
933 9.1996 587.56 549.65 24.24
934 9.2044 573.09 526.44 23.94
935 9.2093 528.79 505.32 23.00
936 9.2142 491.98 489.36 22.18
937 9.2190 516.97 477.34 22.74
938 9.2239 508.98 468.59 22.56
939 9.2287 518.92 462.20 22.78
940 9.2336 464.10 457.20 21.54
941 9.2385 394.84 452.87 19.87
942 9.2433 332.96 448.95 18.25
943 9.2482 264.95 445.62 16.28
944 9.2531 205.66 443.32 14.34
945 9.2579 258.09 442.64 16.07
946 9.2628 365.21 444.22 19.11
947 9.2677 355.44 448.58 18.85
948 9.2725 387.47 456.19 19.68
949 9.2774 452.52 467.30 21.27
950 9.2823 465.98 481.82 21.59
951 9.2871 502.94 499.20 22.43
952 9.2920 559.34 518.38 23.65
953 9.2968 553.77 537.54 23.53
954 9.3017 555.22 554.40 23.56
955 9.3066 604.44 565.12 24.59
956 9.3114 626.59 567.09 25.03
957 9.3163 603.97 559.10 24.58
958 9.3212 513.15 542.42 22.65
959 9.3260 491.43 520.04 22.17
960 9.3309 486.89 495.28 22.07
961 9.3357 448.27 470.93 21.17
962 9.3406 400.43 448.99 20.01
963 9.3455 369.64 430.84 19.23
964 9.3503 356.23 418.05 18.87
965 9.3552 377.21 412.01 19.42
966 9.3601 401.86 411.19 20.05
967 9.3649 408.08 415.63 20.20
968 9.3698 399.83 425.25 20.00
969 9.3747 438.24 439.78 20.93
970 9.3795 501.83 458.62 22.40
971 9.3844 535.11 480.68 23.13
972 9.3892 580.33 504.23 24.09
973 9.3941 687.87 526.83 26.23
974 9.3990 795.58 545.24 28.21
975 9.4038 824.93 556.08 28.72
976 9.4087 783.66 556.82 27.99
977 9.4136 718.80 547.22 26.81
978 9.4184 646.67 529.44 25.43
979 9.4233 572.97 506.83 23.94
980 9.4282 507.50 482.58 22.53
981 9.4330 469.19 459.17 21.66
982 9.4379 487.32 437.48 22.08
983 9.4427 396.29 419.95 19.91
984 9.4476 365.79 406.08 19.13
985 9.4525 367.17 395.66 19.16
986 9.4573 359.44 388.28 18.96
987 9.4622 369.97 383.24 19.23
988 9.4671 381.17 380.01 19.52
989 9.4719 373.68 378.10 19.33
990 9.4768 378.91 377.12 19.47
991 9.4817 384.64 376.89 19.61
992 9.4865 388.93 377.34 19.72
993 9.4914 380.93 378.65 19.52
994 9.4962 355.57 381.30 18.86
995 9.5011 407.09 386.28 20.18
996 9.5060 408.93 395.31 20.22
997 9.6130 374.43 409.04 19.35
998 9.6178 381.00 406.26 19.52
999 9.6227 425.69 404.95 20.63
1000 9.6276 377.18 404.31 19.42
1001 9.6324 402.72 404.09 20.07
1002 9.6373 434.23 404.39 20.84
1003 9.6422 432.44 405.39 20.80
1004 9.6470 415.50 407.45 20.38
1005 9.6519 417.21 410.82 20.43
1006 9.6567 433.65 415.77 20.82
1007 9.6616 441.89 422.60 21.02
1008 9.6665 456.18 431.56 21.36
1009 9.6713 482.11 442.91 21.96
1010 9.6762 464.16 456.86 21.54
1011 9.6811 490.07 473.50 22.14
1012 9.6859 502.45 492.82 22.42
1013 9.6908 510.21 514.69 22.59
1014 9.6957 536.13 538.94 23.15
1015 9.7005 539.53 565.04 23.23
1016 9.7054 568.61 591.78 23.85
1017 9.7102 590.35 617.14 24.30
1018 9.7151 611.87 638.22 24.74
1019 9.7200 651.67 651.72 25.53
1020 9.7248 650.97 654.86 25.51
1021 9.7297 662.02 647.72 25.73
1022 9.7346 658.34 632.18 25.66
1023 9.7394 634.82 611.87 25.20
1024 9.7443 631.12 590.47 25.12
1025 9.7492 566.92 571.11 23.81
1026 9.7540 557.45 556.08 23.61
1027 9.7589 515.99 547.08 22.72
1028 9.7637 511.60 545.29 22.62
1029 9.7686 526.43 551.83 22.94
1030 9.7735 556.45 568.43 23.59
1031 9.7783 629.06 599.01 25.08
1032 9.7832 727.60 652.45 26.97
1033 9.7881 837.76 746.97 28.94
1034 9.7929 1055.49 914.66 32.49
1035 9.7978 1399.61 1200.91 37.41
1036 9.8027 2011.75 1653.20 44.85
1037 9.8075 2719.93 2296.15 52.15
1038 9.8124 3599.62 3095.02 60.00
1039 9.8172 4323.48 3916.17 65.75
1040 9.8221 4700.29 4497.00 68.56
1041 9.8270 4545.91 4545.39 67.42
1042 9.8318 3845.22 4031.72 62.01
1043 9.8367 2931.00 3228.53 54.14
1044 9.8416 2180.33 2415.50 46.69
1045 9.8464 1514.23 1744.92 38.91
1046 9.8513 1148.36 1264.69 33.89
1047 9.8562 902.96 957.10 30.05
1048 9.8610 742.67 775.41 27.25
1049 9.8659 634.53 672.29 25.19
1050 9.8708 548.32 612.66 23.42
1051 9.8756 498.40 575.34 22.32
1052 9.8805 506.45 549.12 22.50
1053 9.8853 462.24 528.48 21.50
1054 9.8902 479.03 510.82 21.89
1055 9.8951 485.17 495.03 22.03
1056 9.8999 437.09 480.72 20.91
1057 9.9048 430.92 467.84 20.76
1058 9.9097 401.69 456.05 20.04
1059 9.9145 381.97 446.05 19.54
1060 9.9194 394.25 437.47 19.86
1061 9.9242 400.18 430.22 20.00
1062 9.9291 383.15 424.18 19.57
1063 9.9340 446.15 419.39 21.12
1064 9.9388 394.87 415.34 19.87
1065 9.9437 399.73 412.06 19.99
1066 9.9486 401.03 409.41 20.03
1067 9.9534 355.02 407.31 18.84
1068 9.9583 368.13 407.18 19.19
1069 9.9632 425.13 408.57 20.62
1070 9.9680 439.31 410.46 20.96
1071 9.9729 423.04 412.93 20.57
1072 9.9777 422.73 416.18 20.56
1073 9.9826 417.94 420.48 20.44
1074 9.9875 402.23 426.15 20.06
1075 9.9923 424.85 433.68 20.61
1076 9.9972 396.24 443.52 19.91
loop_
_pd_proc_info_excluded_regions
'from 2.169 to 2.367'
'from 3.228 to 3.479'
'from 4.056 to 4.348'
'from 4.599 to 4.846'
'from 5.228 to 5.419'
'from 5.539 to 5.706'
'from 6.046 to 6.425'
'from 7.569 to 7.640'
'from 7.83 to 7.946'
'from 8.202 to 8.348'
'from 8.46 to 8.906'
'from 9.506 to 9.610'
'from 9.998 to 10.660'
loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?
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
? ? ? ? ? ?
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
? ? ? ? ? ? ? ?
loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?
loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?
loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?
