#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:21:06 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185220 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/50/7225093.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_7225093
loop_
_publ_author_name
'Maini, L.'
'Braga, D.'
'Grepioni, F.'
'Lampronti, G. I.'
'Gaglioti, K.'
'Gobetto, R.'
'Chierotti, M. R.'
_publ_section_title
;
 From isomorphous to “anisomorphous” ionic co-crystals of
 barbituric acid upon dehydration and return
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4651
_journal_paper_doi               10.1039/C6CE00566G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C4 H4 N2 O3 K1 Br1'
_chemical_formula_sum            'C4 H4 Br K N2 O3'
_chemical_formula_weight         247.09
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2016-03-09 deposited with the CCDC.
2016-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.8638(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3233(5)
_cell_length_b                   7.3226(2)
_cell_length_c                   8.0133(3)
_cell_measurement_temperature    298
_cell_volume                     774.44(5)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Panalytical XPert PRO'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54060
_exptl_crystal_colour            'white powder'
_exptl_crystal_density_diffrn    2.119
_exptl_crystal_description       powder
_pd_char_colour                  white
_pd_proc_ls_prof_R_factor        0.0215
_pd_proc_ls_prof_wR_expected     0.0139
_pd_proc_ls_prof_wR_factor       0.0290
_refine_ls_goodness_of_fit_all   2.09046
_refine_ls_number_parameters     0.000000
_refine_ls_R_I_factor            0.0115
_refine_ls_shift/su_max          0.0173412266
_cod_data_source_file            c6ce00566g2.cif
_cod_data_source_block           BA_NaBr_anhydrous_OKOK_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7225093--7225095.cif.
;
_cod_original_sg_symbol_H-M      P121/n1
_cod_database_code               7225093
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x+1/2, y+1/2, -z+1/2 '
'-x, -y, -z '
'x+1/2, -y+1/2, z+1/2 '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Br1 Br 4 0.07351(8) -0.89133(16) 0.32054(13) 1 2.5(3)
K1 K 4 0.19560(16) 0.9501(3) -0.3007(2) 1 2.5(3)
O2 O 4 0.6740(4) -0.1923(7) 0.4446(5) 1 2.8(3)
O4 O 4 0.3745(3) -0.2454(7) 0.6441(4) 1 2.8(3)
O6 O 4 0.6751(2) -0.0997(7) 0.9999(4) 1 2.8(3)
N3 N 4 0.5237(3) -0.2139(6) 0.5451(4) 1 2.1(4)
C6 C 4 0.6248(2) -0.1231(5) 0.8632(4) 1 2.0(3)
C4 C 4 0.4631(3) -0.2038(5) 0.6717(4) 1 2.0(3)
C2 C 4 0.6259(3) -0.1821(6) 0.5636(4) 1 2.0(3)
C5 C 4 0.5119(2) -0.1312(4) 0.8377(3) 1 2.0(3)
H5a H 4 0.4887(3) -0.2178(4) 0.9360(4) 1 2.0(3)
H5b H 4 0.4837(3) 0.0069(4) 0.8512(4) 1 2.0(3)
N1 N 4 0.6716(2) -0.1361(6) 0.7219(5) 1 2.0(3)
H3 H 4 0.4895(4) -0.2478(7) 0.4283(4) 1 2.0(3)
H1 H 4 0.7470(3) -0.1093(8) 0.7354(6) 1 2.0(3)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
H1 Br1 H3 95.07(14) 3_646 1_555 2_545
H5a Br1 H1 123.71(14) 2_546 1_555 3_646
H5a Br1 H3 108.35(14) 2_546 1_555 2_545
H5b Br1 H5a 46.83(11) 4_444 1_555 2_546
H5b Br1 H1 113.90(18) 4_444 1_555 3_646
H5b Br1 H3 63.49(13) 4_444 1_555 2_545
O4 K1 O2 98.77(13) 2_565 1_555 4_454
O2 K1 O4 86.80(13) 3_665 1_555 2_565
O2 K1 O2 147.57(8) 3_665 1_555 4_454
O4 K1 O2 71.40(15) 1_564 1_555 3_665
O4 K1 O4 143.85(13) 1_564 1_555 2_565
O4 K1 O2 86.46(11) 1_564 1_555 4_454
O6 K1 O4 84.67(11) 3_666 1_555 1_564
O6 K1 O2 77.29(11) 3_666 1_555 3_665
O6 K1 O4 62.10(12) 3_666 1_555 2_565
O6 K1 O2 77.33(12) 3_666 1_555 4_454
O6 K1 O6 138.01(15) 4_453 1_555 3_666
O6 K1 O4 60.67(8) 4_453 1_555 1_564
O6 K1 O2 109.46(9) 4_453 1_555 3_665
O6 K1 O4 155.43(11) 4_453 1_555 2_565
O6 K1 O2 77.58(13) 4_453 1_555 4_454
N3 O2 C2 30.946 1_555 1_555 1_555
N1 O2 N3 62.060 1_555 1_555 1_555
N1 O2 C2 31.117 1_555 1_555 1_555
H1 O2 N1 24.207 1_555 1_555 1_555
H1 O2 N3 86.264 1_555 1_555 1_555
H1 O2 C2 55.323 1_555 1_555 1_555
H3 O2 H1 110.448 1_555 1_555 1_555
H3 O2 N1 86.245 1_555 1_555 1_555
H3 O2 N3 24.185 1_555 1_555 1_555
H3 O2 C2 55.130 1_555 1_555 1_555
K1 O2 H3 92.83(17) 4_555 1_555 1_555
K1 O2 H1 140.37(17) 4_555 1_555 1_555
K1 O2 N1 146.86(16) 4_555 1_555 1_555
K1 O2 N3 112.83(16) 4_555 1_555 1_555
K1 O2 C2 135.39(16) 4_555 1_555 1_555
K1 O2 K1 90.51(9) 3_665 1_555 4_555
K1 O2 H3 137.73(17) 3_665 1_555 1_555
K1 O2 H1 92.60(15) 3_665 1_555 1_555
K1 O2 N1 112.15(15) 3_665 1_555 1_555
K1 O2 N3 144.03(17) 3_665 1_555 1_555
K1 O2 C2 134.06(15) 3_665 1_555 1_555
N3 O4 C4 31.972 1_555 1_555 1_555
C5 O4 N3 63.662 1_555 1_555 1_555
C5 O4 C4 31.716 1_555 1_555 1_555
H3 O4 C5 87.888 1_555 1_555 1_555
H3 O4 N3 24.336 1_555 1_555 1_555
H3 O4 C4 56.271 1_555 1_555 1_555
H5a O4 H3 106.644 1_555 1_555 1_555
H5a O4 C5 24.576 1_555 1_555 1_555
H5a O4 N3 82.717 1_555 1_555 1_555
H5a O4 C4 51.974 1_555 1_555 1_555
H5b O4 H5a 38.490 1_555 1_555 1_555
H5b O4 H3 95.704 1_555 1_555 1_555
H5b O4 C5 22.965 1_555 1_555 1_555
H5b O4 N3 74.021 1_555 1_555 1_555
H5b O4 C4 45.642 1_555 1_555 1_555
K1 O4 H5b 116.54(11) 2_535 1_555 1_555
K1 O4 H5a 81.29(12) 2_535 1_555 1_555
K1 O4 H3 126.19(14) 2_535 1_555 1_555
K1 O4 C5 105.24(13) 2_535 1_555 1_555
K1 O4 N3 127.45(16) 2_535 1_555 1_555
K1 O4 C4 119.91(15) 2_535 1_555 1_555
K1 O4 K1 89.62(11) 1_546 1_555 2_535
K1 O4 H5b 87.38(14) 1_546 1_555 1_555
K1 O4 H5a 102.58(11) 1_546 1_555 1_555
K1 O4 H3 136.25(13) 1_546 1_555 1_555
K1 O4 C5 107.78(13) 1_546 1_555 1_555
K1 O4 N3 142.79(16) 1_546 1_555 1_555
K1 O4 C4 131.10(15) 1_546 1_555 1_555
O6 O4 K1 62.16(10) 4_444 1_555 1_546
O6 O4 K1 62.11(12) 4_444 1_555 2_535
O6 O4 H5b 149.14(16) 4_444 1_555 1_555
O6 O4 H5a 139.10(17) 4_444 1_555 1_555
O6 O4 H3 109.46(17) 4_444 1_555 1_555
O6 O4 C5 162.33(17) 4_444 1_555 1_555
O6 O4 N3 133.44(17) 4_444 1_555 1_555
O6 O4 C4 164.72(17) 4_444 1_555 1_555
N1 O6 C6 32.017 1_555 1_555 1_555
C5 O6 N1 63.452 1_555 1_555 1_555
C5 O6 C6 31.455 1_555 1_555 1_555
H1 O6 C5 87.761 1_555 1_555 1_555
H1 O6 N1 24.534 1_555 1_555 1_555
H1 O6 C6 56.445 1_555 1_555 1_555
H5a O6 H1 107.184 1_555 1_555 1_555
H5a O6 C5 24.627 1_555 1_555 1_555
H5a O6 N1 82.867 1_555 1_555 1_555
H5a O6 C6 52.056 1_555 1_555 1_555
H5b O6 H5a 51.58(13) 3_657 1_555 1_555
H5b O6 H1 145.91(14) 3_657 1_555 1_555
H5b O6 C5 63.06(13) 3_657 1_555 1_555
H5b O6 N1 124.64(14) 3_657 1_555 1_555
H5b O6 C6 93.80(14) 3_657 1_555 1_555
H5b O6 H5b 51.62(14) 1_555 1_555 3_657
H5b O6 H5a 38.398 1_555 1_555 1_555
H5b O6 H1 94.702 1_555 1_555 1_555
H5b O6 C5 22.807 1_555 1_555 1_555
H5b O6 N1 73.343 1_555 1_555 1_555
H5b O6 C6 44.923 1_555 1_555 1_555
O4 O6 H5b 173.68(13) 4_545 1_555 1_555
O4 O6 H5b 130.36(19) 4_545 1_555 3_657
O4 O6 H5a 136.40(15) 4_545 1_555 1_555
O4 O6 H1 83.71(16) 4_545 1_555 1_555
O4 O6 C5 150.88(14) 4_545 1_555 1_555
O4 O6 N1 103.71(16) 4_545 1_555 1_555
O4 O6 C6 130.48(15) 4_545 1_555 1_555
K1 O6 O4 55.79(11) 3_666 1_555 4_545
K1 O6 H5b 129.88(17) 3_666 1_555 1_555
K1 O6 H5b 87.17(14) 3_666 1_555 3_657
K1 O6 H5a 135.27(13) 3_666 1_555 1_555
K1 O6 H1 117.47(13) 3_666 1_555 1_555
K1 O6 C5 149.40(15) 3_666 1_555 1_555
K1 O6 N1 141.41(13) 3_666 1_555 1_555
K1 O6 C6 165.77(18) 3_666 1_555 1_555
K1 O6 K1 83.31(10) 4_556 1_555 3_666
K1 O6 O4 57.17(11) 4_556 1_555 4_545
K1 O6 H5b 118.57(13) 4_556 1_555 1_555
K1 O6 H5b 89.99(17) 4_556 1_555 3_657
K1 O6 H5a 80.61(13) 4_556 1_555 1_555
K1 O6 H1 114.64(12) 4_556 1_555 1_555
K1 O6 C5 102.48(13) 4_556 1_555 1_555
K1 O6 N1 114.44(12) 4_556 1_555 1_555
K1 O6 C6 110.87(13) 4_556 1_555 1_555
C2 N3 H3 117.134 1_555 1_555 1_555
C4 N3 C2 125.733 1_555 1_555 1_555
C4 N3 H3 117.133 1_555 1_555 1_555
O4 N3 C4 27.618 1_555 1_555 1_555
O4 N3 C2 153.201 1_555 1_555 1_555
O4 N3 H3 89.589 1_555 1_555 1_555
O2 N3 O4 178.118 1_555 1_555 1_555
O2 N3 C4 153.077 1_555 1_555 1_555
O2 N3 C2 27.347 1_555 1_555 1_555
O2 N3 H3 89.788 1_555 1_555 1_555
N1 N3 O2 58.984 1_555 1_555 1_555
N1 N3 O4 121.618 1_555 1_555 1_555
N1 N3 C4 94.095 1_555 1_555 1_555
N1 N3 C2 31.638 1_555 1_555 1_555
N1 N3 H3 148.771 1_555 1_555 1_555
C5 N3 N1 61.188 1_555 1_555 1_555
C5 N3 O2 119.986 1_555 1_555 1_555
C5 N3 O4 60.799 1_555 1_555 1_555
C5 N3 C4 33.202 1_555 1_555 1_555
C5 N3 C2 92.743 1_555 1_555 1_555
C5 N3 H3 149.869 1_555 1_555 1_555
C6 N3 C5 32.195 1_555 1_555 1_555
C6 N3 N1 29.226 1_555 1_555 1_555
C6 N3 O2 88.208 1_555 1_555 1_555
C6 N3 O4 92.397 1_555 1_555 1_555
C6 N3 C4 64.876 1_555 1_555 1_555
C6 N3 C2 60.860 1_555 1_555 1_555
C6 N3 H3 177.922 1_555 1_555 1_555
H5b N3 C6 41.826 1_555 1_555 1_555
H5b N3 C5 19.198 1_555 1_555 1_555
H5b N3 N1 66.923 1_555 1_555 1_555
H5b N3 O2 120.699 1_555 1_555 1_555
H5b N3 O4 60.673 1_555 1_555 1_555
H5b N3 C4 36.519 1_555 1_555 1_555
H5b N3 C2 95.963 1_555 1_555 1_555
H5b N3 H3 140.102 1_555 1_555 1_555
N1 C6 O6 119.906 1_555 1_555 1_555
C5 C6 N1 116.658 1_555 1_555 1_555
C5 C6 O6 123.386 1_555 1_555 1_555
H1 C6 C5 142.366 1_555 1_555 1_555
H1 C6 N1 26.290 1_555 1_555 1_555
H1 C6 O6 93.811 1_555 1_555 1_555
H5a C6 H1 159.262 1_555 1_555 1_555
H5a C6 C5 29.636 1_555 1_555 1_555
H5a C6 N1 135.720 1_555 1_555 1_555
H5a C6 O6 100.757 1_555 1_555 1_555
H5b C6 H5a 50.159 1_555 1_555 1_555
H5b C6 H1 136.543 1_555 1_555 1_555
H5b C6 C5 29.636 1_555 1_555 1_555
H5b C6 N1 120.024 1_555 1_555 1_555
H5b C6 O6 110.928 1_555 1_555 1_555
C2 C6 H5b 99.252 1_555 1_555 1_555
C2 C6 H5a 109.651 1_555 1_555 1_555
C2 C6 H1 53.350 1_555 1_555 1_555
C2 C6 C5 89.960 1_555 1_555 1_555
C2 C6 N1 27.060 1_555 1_555 1_555
C2 C6 O6 146.601 1_555 1_555 1_555
C4 C6 C2 58.846 1_555 1_555 1_555
C4 C6 H5b 52.876 1_555 1_555 1_555
C4 C6 H5a 52.877 1_555 1_555 1_555
C4 C6 H1 112.177 1_555 1_555 1_555
C4 C6 C5 31.884 1_555 1_555 1_555
C4 C6 N1 85.896 1_555 1_555 1_555
C4 C6 O6 153.546 1_555 1_555 1_555
N3 C6 C4 29.540 1_555 1_555 1_555
N3 C6 C2 29.306 1_555 1_555 1_555
N3 C6 H5b 75.463 1_555 1_555 1_555
N3 C6 H5a 81.249 1_555 1_555 1_555
N3 C6 H1 82.650 1_555 1_555 1_555
N3 C6 C5 60.940 1_555 1_555 1_555
N3 C6 N1 56.362 1_555 1_555 1_555
N3 C6 O6 173.111 1_555 1_555 1_555
H5b C6 N3 122.81(13) 3_657 1_555 1_555
H5b C6 C4 93.98(13) 3_657 1_555 1_555
H5b C6 C2 150.52(13) 3_657 1_555 1_555
H5b C6 H5b 51.85(13) 3_657 1_555 1_555
H5b C6 H5a 49.82(13) 3_657 1_555 1_555
H5b C6 H1 150.66(12) 3_657 1_555 1_555
H5b C6 C5 62.11(13) 3_657 1_555 1_555
H5b C6 N1 167.13(13) 3_657 1_555 1_555
H5b C6 O6 62.29(13) 3_657 1_555 1_555
N3 C4 O4 120.410 1_555 1_555 1_555
C5 C4 N3 116.404 1_555 1_555 1_555
C5 C4 O4 123.120 1_555 1_555 1_555
H3 C4 C5 142.179 1_555 1_555 1_555
H3 C4 N3 26.083 1_555 1_555 1_555
H3 C4 O4 94.395 1_555 1_555 1_555
H5b C4 H3 137.885 1_555 1_555 1_555
H5b C4 C5 29.576 1_555 1_555 1_555
H5b C4 N3 120.437 1_555 1_555 1_555
H5b C4 O4 110.045 1_555 1_555 1_555
H5a C4 H5b 50.060 1_555 1_555 1_555
H5a C4 H3 157.529 1_555 1_555 1_555
H5a C4 C5 29.576 1_555 1_555 1_555
H5a C4 N3 134.924 1_555 1_555 1_555
H5a C4 O4 101.050 1_555 1_555 1_555
C2 C4 H5a 109.281 1_555 1_555 1_555
C2 C4 H5b 98.945 1_555 1_555 1_555
C2 C4 H3 53.067 1_555 1_555 1_555
C2 C4 C5 89.614 1_555 1_555 1_555
C2 C4 N3 26.984 1_555 1_555 1_555
C2 C4 O4 147.264 1_555 1_555 1_555
C6 C4 C2 58.602 1_555 1_555 1_555
C6 C4 H5a 52.736 1_555 1_555 1_555
C6 C4 H5b 52.736 1_555 1_555 1_555
C6 C4 H3 111.666 1_555 1_555 1_555
C6 C4 C5 31.777 1_555 1_555 1_555
C6 C4 N3 85.584 1_555 1_555 1_555
C6 C4 O4 153.560 1_555 1_555 1_555
N1 C4 C6 29.227 1_555 1_555 1_555
N1 C4 C2 29.380 1_555 1_555 1_555
N1 C4 H5a 80.939 1_555 1_555 1_555
N1 C4 H5b 74.762 1_555 1_555 1_555
N1 C4 H3 82.447 1_555 1_555 1_555
N1 C4 C5 60.445 1_555 1_555 1_555
N1 C4 N3 56.364 1_555 1_555 1_555
N1 C4 O4 175.014 1_555 1_555 1_555
N3 C2 O2 121.707 1_555 1_555 1_555
N1 C2 N3 116.819 1_555 1_555 1_555
N1 C2 O2 121.469 1_555 1_555 1_555
H3 C2 N1 143.075 1_555 1_555 1_555
H3 C2 N3 26.256 1_555 1_555 1_555
H3 C2 O2 95.453 1_555 1_555 1_555
H1 C2 H3 169.295 1_555 1_555 1_555
H1 C2 N1 26.252 1_555 1_555 1_555
H1 C2 N3 143.058 1_555 1_555 1_555
H1 C2 O2 95.219 1_555 1_555 1_555
C6 C2 H1 53.247 1_555 1_555 1_555
C6 C2 H3 116.087 1_555 1_555 1_555
C6 C2 N1 26.994 1_555 1_555 1_555
C6 C2 N3 89.833 1_555 1_555 1_555
C6 C2 O2 148.460 1_555 1_555 1_555
C4 C2 C6 62.552 1_555 1_555 1_555
C4 C2 H1 115.779 1_555 1_555 1_555
C4 C2 H3 53.539 1_555 1_555 1_555
C4 C2 N1 89.536 1_555 1_555 1_555
C4 C2 N3 27.283 1_555 1_555 1_555
C4 C2 O2 148.987 1_555 1_555 1_555
C5 C2 C4 31.537 1_555 1_555 1_555
C5 C2 C6 31.433 1_555 1_555 1_555
C5 C2 H1 84.381 1_555 1_555 1_555
C5 C2 H3 84.914 1_555 1_555 1_555
C5 C2 N1 58.230 1_555 1_555 1_555
C5 C2 N3 58.713 1_555 1_555 1_555
C5 C2 O2 175.929 1_555 1_555 1_555
H5a C5 H5b 109.471 1_555 1_555 1_555
C6 C5 H5a 107.728 1_555 1_555 1_555
C6 C5 H5b 107.728 1_555 1_555 1_555
C4 C5 C6 116.340 1_555 1_555 1_555
C4 C5 H5a 107.728 1_555 1_555 1_555
C4 C5 H5b 107.728 1_555 1_555 1_555
O4 C5 C4 25.165 1_555 1_555 1_555
O4 C5 C6 140.705 1_555 1_555 1_555
O4 C5 H5a 89.873 1_555 1_555 1_555
O4 C5 H5b 98.385 1_555 1_555 1_555
O6 C5 O4 161.771 1_555 1_555 1_555
O6 C5 C4 140.478 1_555 1_555 1_555
O6 C5 C6 25.160 1_555 1_555 1_555
O6 C5 H5a 89.403 1_555 1_555 1_555
O6 C5 H5b 99.023 1_555 1_555 1_555
N1 C5 O6 55.300 1_555 1_555 1_555
N1 C5 O4 112.350 1_555 1_555 1_555
N1 C5 C4 87.252 1_555 1_555 1_555
N1 C5 C6 30.155 1_555 1_555 1_555
N1 C5 H5a 128.041 1_555 1_555 1_555
N1 C5 H5b 112.508 1_555 1_555 1_555
N3 C5 N1 57.119 1_555 1_555 1_555
N3 C5 O6 111.867 1_555 1_555 1_555
N3 C5 O4 55.539 1_555 1_555 1_555
N3 C5 C4 30.394 1_555 1_555 1_555
N3 C5 C6 86.865 1_555 1_555 1_555
N3 C5 H5a 127.651 1_555 1_555 1_555
N3 C5 H5b 113.159 1_555 1_555 1_555
H5b C5 N3 172.44(12) 3_657 1_555 1_555
H5b C5 N1 117.14(16) 3_657 1_555 1_555
H5b C5 O6 63.43(16) 3_657 1_555 1_555
H5b C5 O4 130.51(16) 3_657 1_555 1_555
H5b C5 C4 155.57(16) 3_657 1_555 1_555
H5b C5 C6 88.01(16) 3_657 1_555 1_555
H5b C5 H5a 59.38(15) 3_657 1_555 1_555
H5b C5 H5b 63.30(15) 3_657 1_555 1_555
C2 C5 H5b 145.33(16) 1_555 1_555 3_657
C2 C5 N3 28.544 1_555 1_555 1_555
C2 C5 N1 28.616 1_555 1_555 1_555
C2 C5 O6 83.754 1_555 1_555 1_555
C2 C5 O4 84.013 1_555 1_555 1_555
C2 C5 C4 58.849 1_555 1_555 1_555
C2 C5 C6 58.607 1_555 1_555 1_555
C2 C5 H5a 135.443 1_555 1_555 1_555
C2 C5 H5b 115.086 1_555 1_555 1_555
H5a C5 C2 126.46(13) 3_657 1_555 1_555
H5a C5 H5b 34.54(7) 3_657 1_555 3_657
H5a C5 N3 139.60(13) 3_657 1_555 1_555
H5a C5 N1 107.71(13) 3_657 1_555 1_555
H5a C5 O6 71.36(13) 3_657 1_555 1_555
H5a C5 O4 126.87(13) 3_657 1_555 1_555
H5a C5 C4 140.26(13) 3_657 1_555 1_555
H5a C5 C6 88.32(13) 3_657 1_555 1_555
H5a C5 H5a 91.90(13) 3_657 1_555 1_555
H5a C5 H5b 32.57(13) 3_657 1_555 1_555
H5b H5a C5 35.264 1_555 1_555 1_555
C6 H5a H5b 64.920 1_555 1_555 1_555
C6 H5a C5 42.636 1_555 1_555 1_555
C4 H5a C6 74.388 1_555 1_555 1_555
C4 H5a H5b 64.970 1_555 1_555 1_555
C4 H5a C5 42.696 1_555 1_555 1_555
H5b H5a C4 134.74(18) 3_657 1_555 1_555
H5b H5a C6 85.83(18) 3_657 1_555 1_555
H5b H5a H5b 69.79(18) 3_657 1_555 1_555
H5b H5a C5 96.49(18) 3_657 1_555 1_555
Br1 H5a H5b 78.66(16) 2_556 1_555 3_657
Br1 H5a C4 140.15(12) 2_556 1_555 1_555
Br1 H5a C6 139.36(13) 2_556 1_555 1_555
Br1 H5a H5b 138.74(12) 2_556 1_555 1_555
Br1 H5a C5 173.99(12) 2_556 1_555 1_555
O6 H5a Br1 114.41(13) 1_555 1_555 2_556
O6 H5a H5b 65.16(18) 1_555 1_555 3_657
O6 H5a C4 101.552 1_555 1_555 1_555
O6 H5a C6 27.186 1_555 1_555 1_555
O6 H5a H5b 75.718 1_555 1_555 1_555
O6 H5a C5 65.971 1_555 1_555 1_555
O4 H5a O6 128.407 1_555 1_555 1_555
O4 H5a Br1 115.68(13) 1_555 1_555 2_556
O4 H5a H5b 136.94(18) 1_555 1_555 3_657
O4 H5a C4 26.976 1_555 1_555 1_555
O4 H5a C6 101.306 1_555 1_555 1_555
O4 H5a H5b 75.105 1_555 1_555 1_555
O4 H5a C5 65.551 1_555 1_555 1_555
C5 H5a O4 122.17(13) 3_657 1_555 1_555
C5 H5a O6 72.20(13) 3_657 1_555 1_555
C5 H5a Br1 86.39(13) 3_657 1_555 2_556
C5 H5a H5b 14.82(6) 3_657 1_555 3_657
C5 H5a C4 122.02(13) 3_657 1_555 1_555
C5 H5a C6 87.82(13) 3_657 1_555 1_555
C5 H5a H5b 57.56(13) 3_657 1_555 1_555
C5 H5a C5 88.10(13) 3_657 1_555 1_555
H5a H5b C5 35.264 1_555 1_555 1_555
C6 H5b H5a 64.920 1_555 1_555 1_555
C6 H5b C5 42.636 1_555 1_555 1_555
C4 H5b C6 74.388 1_555 1_555 1_555
C4 H5b H5a 64.970 1_555 1_555 1_555
C4 H5b C5 42.696 1_555 1_555 1_555
H5a H5b C4 175.03(17) 3_657 1_555 1_555
H5a H5b C6 102.72(18) 3_657 1_555 1_555
H5a H5b H5a 110.21(18) 3_657 1_555 1_555
H5a H5b C5 132.62(18) 3_657 1_555 1_555
H5b H5b H5a 44.84(11) 3_657 1_555 3_657
H5b H5b C4 130.32(16) 3_657 1_555 1_555
H5b H5b C6 83.96(17) 3_657 1_555 1_555
H5b H5b H5a 65.37(16) 3_657 1_555 1_555
H5b H5b C5 92.43(16) 3_657 1_555 1_555
C5 H5b H5b 24.27(6) 3_657 1_555 3_657
C5 H5b H5a 24.13(6) 3_657 1_555 3_657
C5 H5b C4 151.76(15) 3_657 1_555 1_555
C5 H5b C6 102.04(16) 3_657 1_555 1_555
C5 H5b H5a 87.89(15) 3_657 1_555 1_555
C5 H5b C5 116.70(15) 3_657 1_555 1_555
O6 H5b C5 53.51(12) 3_657 1_555 3_657
O6 H5b H5b 66.79(16) 3_657 1_555 3_657
O6 H5b H5a 63.26(15) 3_657 1_555 3_657
O6 H5b C4 117.23(14) 3_657 1_555 1_555
O6 H5b C6 149.28(15) 3_657 1_555 1_555
O6 H5b H5a 93.18(15) 3_657 1_555 1_555
O6 H5b C5 126.08(15) 3_657 1_555 1_555
O4 H5b O6 93.10(13) 1_555 1_555 3_657
O4 H5b C5 137.55(16) 1_555 1_555 3_657
O4 H5b H5b 125.86(17) 1_555 1_555 3_657
O4 H5b H5a 156.25(18) 1_555 1_555 3_657
O4 H5b C4 24.313 1_555 1_555 1_555
O4 H5b C6 96.867 1_555 1_555 1_555
O4 H5b H5a 66.405 1_555 1_555 1_555
O4 H5b C5 58.650 1_555 1_555 1_555
O6 H5b O4 116.611 1_555 1_555 1_555
O6 H5b O6 128.38(14) 1_555 1_555 3_657
O6 H5b C5 77.97(16) 1_555 1_555 3_657
O6 H5b H5b 61.59(18) 1_555 1_555 3_657
O6 H5b H5a 79.97(18) 1_555 1_555 3_657
O6 H5b C4 96.548 1_555 1_555 1_555
O6 H5b C6 24.149 1_555 1_555 1_555
O6 H5b H5a 65.884 1_555 1_555 1_555
O6 H5b C5 58.169 1_555 1_555 1_555
H3 H5b O6 107.38(18) 3_656 1_555 1_555
H3 H5b O4 93.04(18) 3_656 1_555 1_555
H3 H5b O6 112.3(2) 3_656 1_555 3_657
H3 H5b C5 121.8(2) 3_656 1_555 3_657
H3 H5b H5b 140.9(2) 3_656 1_555 3_657
H3 H5b H5a 98.0(2) 3_656 1_555 3_657
H3 H5b C4 86.36(17) 3_656 1_555 1_555
H3 H5b C6 96.13(18) 3_656 1_555 1_555
H3 H5b H5a 148.51(17) 3_656 1_555 1_555
H3 H5b C5 113.94(17) 3_656 1_555 1_555
C6 H5b H3 122.6(2) 3_657 1_555 3_656
C6 H5b O6 105.27(13) 3_657 1_555 1_555
C6 H5b O4 112.30(13) 3_657 1_555 1_555
C6 H5b O6 23.90(5) 3_657 1_555 3_657
C6 H5b C5 29.88(7) 3_657 1_555 3_657
C6 H5b H5b 44.19(11) 3_657 1_555 3_657
C6 H5b H5a 44.35(11) 3_657 1_555 3_657
C6 H5b C4 134.46(13) 3_657 1_555 1_555
C6 H5b C6 128.15(13) 3_657 1_555 1_555
C6 H5b H5a 88.14(13) 3_657 1_555 1_555
C6 H5b C5 123.31(13) 3_657 1_555 1_555
N1 H5b C6 150.42(13) 1_555 1_555 3_657
N1 H5b H3 75.63(18) 1_555 1_555 3_656
N1 H5b O6 45.152 1_555 1_555 1_555
N1 H5b O4 87.446 1_555 1_555 1_555
N1 H5b O6 171.98(15) 1_555 1_555 3_657
N1 H5b C5 121.94(16) 1_555 1_555 3_657
N1 H5b H5b 106.51(18) 1_555 1_555 3_657
N1 H5b H5a 115.61(18) 1_555 1_555 3_657
N1 H5b C4 63.139 1_555 1_555 1_555
N1 H5b C6 23.072 1_555 1_555 1_555
N1 H5b H5a 79.695 1_555 1_555 1_555
N1 H5b C5 48.064 1_555 1_555 1_555
N3 H5b N1 45.236 1_555 1_555 1_555
N3 H5b C6 157.36(13) 1_555 1_555 3_657
N3 H5b H3 69.43(17) 1_555 1_555 3_656
N3 H5b O6 86.837 1_555 1_555 1_555
N3 H5b O4 45.306 1_555 1_555 1_555
N3 H5b O6 137.36(14) 1_555 1_555 3_657
N3 H5b C5 163.22(15) 1_555 1_555 3_657
N3 H5b H5b 139.53(16) 1_555 1_555 3_657
N3 H5b H5a 158.25(18) 1_555 1_555 3_657
N3 H5b C4 23.043 1_555 1_555 1_555
N3 H5b C6 62.711 1_555 1_555 1_555
N3 H5b H5a 79.342 1_555 1_555 1_555
N3 H5b C5 47.643 1_555 1_555 1_555
Br1 H5b N3 107.94(10) 4_545 1_555 1_555
Br1 H5b N1 86.58(12) 4_545 1_555 1_555
Br1 H5b C6 92.00(13) 4_545 1_555 3_657
Br1 H5b H3 45.19(10) 4_545 1_555 3_656
Br1 H5b O6 86.97(14) 4_545 1_555 1_555
Br1 H5b O4 137.87(12) 4_545 1_555 1_555
Br1 H5b O6 98.28(17) 4_545 1_555 3_657
Br1 H5b C5 78.60(13) 4_545 1_555 3_657
Br1 H5b H5b 95.73(17) 4_545 1_555 3_657
Br1 H5b H5a 54.51(13) 4_545 1_555 3_657
Br1 H5b C4 129.18(10) 4_545 1_555 1_555
Br1 H5b C6 93.60(13) 4_545 1_555 1_555
Br1 H5b H5a 151.79(14) 4_545 1_555 1_555
Br1 H5b C5 134.21(13) 4_545 1_555 1_555
C6 N1 H1 117.027 1_555 1_555 1_555
C2 N1 C6 125.946 1_555 1_555 1_555
C2 N1 H1 117.027 1_555 1_555 1_555
O6 N1 C2 153.586 1_555 1_555 1_555
O6 N1 C6 28.077 1_555 1_555 1_555
O6 N1 H1 89.162 1_555 1_555 1_555
O2 N1 O6 175.885 1_555 1_555 1_555
O2 N1 C2 27.415 1_555 1_555 1_555
O2 N1 C6 153.356 1_555 1_555 1_555
O2 N1 H1 89.615 1_555 1_555 1_555
N3 N1 O2 58.956 1_555 1_555 1_555
N3 N1 O6 122.264 1_555 1_555 1_555
N3 N1 C2 31.543 1_555 1_555 1_555
N3 N1 C6 94.412 1_555 1_555 1_555
N3 N1 H1 148.552 1_555 1_555 1_555
C5 N1 N3 61.694 1_555 1_555 1_555
C5 N1 O2 120.463 1_555 1_555 1_555
C5 N1 O6 61.248 1_555 1_555 1_555
C5 N1 C2 93.154 1_555 1_555 1_555
C5 N1 C6 33.187 1_555 1_555 1_555
C5 N1 H1 149.351 1_555 1_555 1_555
C4 N1 C5 32.302 1_555 1_555 1_555
C4 N1 N3 29.541 1_555 1_555 1_555
C4 N1 O2 88.496 1_555 1_555 1_555
C4 N1 O6 92.813 1_555 1_555 1_555
C4 N1 C2 61.084 1_555 1_555 1_555
C4 N1 C6 64.878 1_555 1_555 1_555
C4 N1 H1 177.692 1_555 1_555 1_555
H5b N1 C4 42.099 1_555 1_555 1_555
H5b N1 C5 19.428 1_555 1_555 1_555
H5b N1 N3 67.841 1_555 1_555 1_555
H5b N1 O2 121.504 1_555 1_555 1_555
H5b N1 O6 61.505 1_555 1_555 1_555
H5b N1 C2 96.770 1_555 1_555 1_555
H5b N1 C6 36.905 1_555 1_555 1_555
H5b N1 H1 138.602 1_555 1_555 1_555
C2 H3 N3 36.611 1_555 1_555 1_555
C4 H3 C2 73.395 1_555 1_555 1_555
C4 H3 N3 36.784 1_555 1_555 1_555
Br1 H3 C4 143.36(17) 2_555 1_555 1_555
Br1 H3 C2 139.30(19) 2_555 1_555 1_555
Br1 H3 N3 166.7(2) 2_555 1_555 1_555
O4 H3 Br1 114.98(17) 1_555 1_555 2_555
O4 H3 C4 29.334 1_555 1_555 1_555
O4 H3 C2 102.664 1_555 1_555 1_555
O4 H3 N3 66.075 1_555 1_555 1_555
O2 H3 O4 132.071 1_555 1_555 1_555
O2 H3 Br1 111.18(18) 1_555 1_555 2_555
O2 H3 C4 102.811 1_555 1_555 1_555
O2 H3 C2 29.417 1_555 1_555 1_555
O2 H3 N3 66.027 1_555 1_555 1_555
H5b H3 O2 73.49(18) 3_656 1_555 1_555
H5b H3 O4 133.59(18) 3_656 1_555 1_555
H5b H3 Br1 71.32(11) 3_656 1_555 2_555
H5b H3 C4 133.66(17) 3_656 1_555 1_555
H5b H3 C2 94.13(18) 3_656 1_555 1_555
H5b H3 N3 118.34(18) 3_656 1_555 1_555
C6 H1 N1 36.683 1_555 1_555 1_555
C2 H1 C6 73.403 1_555 1_555 1_555
C2 H1 N1 36.721 1_555 1_555 1_555
O6 H1 C2 102.961 1_555 1_555 1_555
O6 H1 C6 29.744 1_555 1_555 1_555
O6 H1 N1 66.304 1_555 1_555 1_555
O2 H1 O6 132.329 1_555 1_555 1_555
O2 H1 C2 29.458 1_555 1_555 1_555
O2 H1 C6 102.860 1_555 1_555 1_555
O2 H1 N1 66.178 1_555 1_555 1_555
Br1 H1 O2 95.41(17) 3_646 1_555 1_555
Br1 H1 O6 130.98(17) 3_646 1_555 1_555
Br1 H1 C2 124.62(17) 3_646 1_555 1_555
Br1 H1 C6 160.23(17) 3_646 1_555 1_555
Br1 H1 N1 160.27(18) 3_646 1_555 1_555
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Br1 H3 2.308(3) 1_555 2_545
Br1 H1 2.492(3) 1_555 3_646
Br1 H5a 2.559(3) 1_555 2_546
Br1 H5b 3.082(3) 1_555 4_444
K1 O2 2.769(5) 1_555 4_454
K1 O4 2.782(5) 1_555 2_565
K1 O2 2.835(5) 1_555 3_665
K1 O4 2.865(5) 1_555 1_564
K1 O6 2.973(4) 1_555 3_666
K1 O6 3.015(5) 1_555 4_453
O2 C2 1.22242 1_555 1_555
O2 N3 2.26382 1_555 1_555
O2 N1 2.26449 1_555 1_555
O2 H1 2.47533 1_555 1_555
O2 H3 2.47752 1_555 1_555
O2 K1 2.769(5) 1_555 4_555
O2 K1 2.835(5) 1_555 3_665
O4 C4 1.21021 1_555 1_555
O4 N3 2.25148 1_555 1_555
O4 C5 2.38366 1_555 1_555
O4 H3 2.46306 1_555 1_555
O4 H5a 2.61845 1_555 1_555
O4 H5b 2.76131 1_555 1_555
O4 K1 2.782(5) 1_555 2_535
O4 K1 2.865(5) 1_555 1_546
O4 O6 2.973(3) 1_555 4_444
O6 C6 1.21531 1_555 1_555
O6 N1 2.23832 1_555 1_555
O6 C5 2.38688 1_555 1_555
O6 H1 2.44415 1_555 1_555
O6 H5a 2.61323 1_555 1_555
O6 H5b 2.655(7) 1_555 3_657
O6 H5b 2.77462 1_555 1_555
O6 O4 2.973(3) 1_555 4_545
O6 K1 2.973(4) 1_555 3_666
O6 K1 3.015(5) 1_555 4_556
N3 H3 1.01500 1_555 1_555
N3 C2 1.36834 1_555 1_555
N3 C4 1.38236 1_555 1_555
N3 O4 2.25148 1_555 1_555
N3 O2 2.26382 1_555 1_555
N3 N1 2.33430 1_555 1_555
N3 C5 2.44723 1_555 1_555
N3 C6 2.79548 1_555 1_555
N3 H5b 3.04486 1_555 1_555
C6 O6 1.21531 1_555 1_555
C6 N1 1.36898 1_555 1_555
C6 C5 1.49168 1_555 1_555
C6 H1 2.04136 1_555 1_555
C6 H5a 2.09770 1_555 1_555
C6 H5b 2.09770 1_555 1_555
C6 C2 2.44168 1_555 1_555
C6 C4 2.53853 1_555 1_555
C6 N3 2.79548 1_555 1_555
C6 H5b 2.993(6) 1_555 3_657
C4 O4 1.21021 1_555 1_555
C4 N3 1.38236 1_555 1_555
C4 C5 1.49617 1_555 1_555
C4 H3 2.05449 1_555 1_555
C4 H5b 2.10160 1_555 1_555
C4 H5a 2.10161 1_555 1_555
C4 C2 2.44799 1_555 1_555
C4 C6 2.53853 1_555 1_555
C4 N1 2.79657 1_555 1_555
C2 O2 1.22242 1_555 1_555
C2 N3 1.36834 1_555 1_555
C2 N1 1.37204 1_555 1_555
C2 H3 2.04192 1_555 1_555
C2 H1 2.04411 1_555 1_555
C2 C6 2.44168 1_555 1_555
C2 C4 2.44799 1_555 1_555
C2 C5 2.86039 1_555 1_555
C5 H5b 1.08901 1_555 1_555
C5 H5a 1.08901 1_555 1_555
C5 C6 1.49168 1_555 1_555
C5 C4 1.49617 1_555 1_555
C5 O4 2.38366 1_555 1_555
C5 O6 2.38688 1_555 1_555
C5 N1 2.43549 1_555 1_555
C5 N3 2.44723 1_555 1_555
C5 H5b 2.647(6) 1_555 3_657
C5 C2 2.86039 1_555 1_555
C5 H5a 3.134(6) 1_555 3_657
H5a C5 1.08901 1_555 1_555
H5a H5b 1.77834 1_555 1_555
H5a C6 2.09770 1_555 1_555
H5a C4 2.10161 1_555 1_555
H5a H5b 2.292(5) 1_555 3_657
H5a Br1 2.559(3) 1_555 2_556
H5a O6 2.61323 1_555 1_555
H5a O4 2.61845 1_555 1_555
H5a C5 3.134(6) 1_555 3_657
H5b C5 1.08901 1_555 1_555
H5b H5a 1.77834 1_555 1_555
H5b C6 2.09770 1_555 1_555
H5b C4 2.10160 1_555 1_555
H5b H5a 2.292(5) 1_555 3_657
H5b H5b 2.367(6) 1_555 3_657
H5b C5 2.647(6) 1_555 3_657
H5b O6 2.655(7) 1_555 3_657
H5b O4 2.76131 1_555 1_555
H5b O6 2.77462 1_555 1_555
H5b H3 2.911(6) 1_555 3_656
H5b C6 2.993(6) 1_555 3_657
H5b N1 3.02460 1_555 1_555
H5b N3 3.04486 1_555 1_555
H5b Br1 3.082(3) 1_555 4_545
N1 H1 1.01500 1_555 1_555
N1 C6 1.36898 1_555 1_555
N1 C2 1.37204 1_555 1_555
N1 O6 2.23832 1_555 1_555
N1 O2 2.26449 1_555 1_555
N1 N3 2.33430 1_555 1_555
N1 C5 2.43549 1_555 1_555
N1 C4 2.79657 1_555 1_555
N1 H5b 3.02460 1_555 1_555
H3 N3 1.01500 1_555 1_555
H3 C2 2.04192 1_555 1_555
H3 C4 2.05449 1_555 1_555
H3 Br1 2.308(3) 1_555 2_555
H3 O4 2.46306 1_555 1_555
H3 O2 2.47752 1_555 1_555
H3 H5b 2.911(6) 1_555 3_656
H1 N1 1.01500 1_555 1_555
H1 C6 2.04136 1_555 1_555
H1 C2 2.04411 1_555 1_555
H1 O6 2.44415 1_555 1_555
H1 O2 2.47533 1_555 1_555
H1 Br1 2.492(3) 1_555 3_646
loop_
_pd_proc_point_id
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
1 9.01310 5856.61205 5867.55957 0.00017
2 9.03910 5848.46880 5806.43945 0.00017
3 9.06510 5840.34764 5806.43945 0.00017
4 9.09110 5832.24855 5791.20996 0.00017
5 9.11710 5824.17155 5821.69043 0.00017
6 9.14310 5816.11665 5700.25000 0.00018
7 9.16910 5808.08385 5715.35986 0.00017
8 9.19510 5800.07315 5867.55957 0.00017
9 9.22110 5792.08456 5700.25000 0.00018
10 9.24710 5784.11809 5625.00000 0.00018
11 9.27310 5776.17375 5700.25000 0.00018
12 9.29910 5768.25154 5730.48975 0.00017
13 9.32510 5760.35147 5760.81006 0.00017
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1888 58.07510 3312.72859 3294.76025 0.00030
1889 58.10110 3431.84486 3422.25000 0.00029
1890 58.12710 3532.54555 3504.64014 0.00029
1891 58.15310 3601.96108 3636.08984 0.00028
1892 58.17910 3641.37887 3600.00000 0.00028
1893 58.20510 3667.55912 3552.15991 0.00028
1894 58.23110 3701.97802 3612.00977 0.00028
1895 58.25710 3755.61709 3757.68994 0.00027
1896 58.28310 3821.64675 3868.84009 0.00026
1897 58.30910 3879.83412 3981.60986 0.00025
1898 58.33510 3908.12723 4070.43994 0.00025
1899 58.36110 3893.69245 4044.95972 0.00025
1900 58.38710 3836.86001 3918.75977 0.00026
1901 58.41310 3747.72693 3819.23999 0.00026
1902 58.43910 3640.80067 3721.00000 0.00027
1903 58.46510 3530.53106 3600.00000 0.00028
1904 58.49110 3427.24617 3528.36011 0.00028
1905 58.51710 3335.33467 3445.69019 0.00029
1906 58.54310 3255.06395 3352.41016 0.00030
1907 58.56910 3185.88568 3214.89014 0.00031
1908 58.59510 3128.91980 3124.81006 0.00032
1909 58.62110 3087.69612 3091.35986 0.00032
1910 58.64710 3067.02241 3058.08984 0.00033
1911 58.67310 3070.89503 3058.08984 0.00033
1912 58.69910 3100.61703 3036.00977 0.00033
1913 58.72510 3153.53623 3091.35986 0.00032
1914 58.75110 3222.57246 3136.00000 0.00032
1915 58.77710 3296.96450 3158.44019 0.00032
1916 58.80310 3364.61098 3226.23999 0.00031
1917 58.82910 3415.53971 3329.29004 0.00030
1918 58.85510 3444.68122 3260.40991 0.00031
1919 58.88110 3451.95661 3306.25000 0.00030
1920 58.90710 3439.74042 3387.23999 0.00030
1921 58.93310 3410.18994 3352.41016 0.00030
1922 58.95910 3365.10240 3340.83984 0.00030
1923 58.98510 3307.98674 3237.61011 0.00031
1924 59.01110 3245.05214 3169.68994 0.00032
1925 59.03710 3183.49971 3147.20972 0.00032
1926 59.06310 3129.12923 3080.25000 0.00032
1927 59.08910 3085.44156 3091.35986 0.00032
1928 59.11510 3054.34377 3113.63989 0.00032
1929 59.14110 3037.34130 3091.35986 0.00032
1930 59.16710 3035.99014 2959.36011 0.00034
1931 59.19310 3051.23782 2937.64014 0.00034
1932 59.21910 3082.53223 3069.16016 0.00033
1933 59.24510 3128.02985 3214.89014 0.00031
1934 59.27110 3186.62549 3136.00000 0.00032
1935 59.29710 3261.43703 3214.89014 0.00031
1936 59.32310 3363.02587 3283.28979 0.00030
1937 59.34910 3509.53519 3481.00000 0.00029
1938 59.37510 3721.71227 3648.16016 0.00027
1939 59.40110 4013.69354 4006.88989 0.00025
1940 59.42710 4382.52075 4303.35986 0.00023
1941 59.45310 4799.61110 4651.23975 0.00021
1942 59.47910 5208.86394 4942.09033 0.00020
1943 59.50510 5537.13069 5155.24023 0.00019
1944 59.53110 5718.94366 5387.56006 0.00019
1945 59.55710 5726.88744 5343.60986 0.00019
1946 59.58310 5587.17984 5140.88965 0.00019
1947 59.60910 5363.18508 5083.69043 0.00020
1948 59.63510 5116.65203 4984.35986 0.00020
1949 59.66110 4878.95885 4984.35986 0.00020
1950 59.68710 4651.06411 4664.89063 0.00021
1951 59.71310 4422.71782 4489.00000 0.00022
1952 59.73910 4191.42229 4238.00977 0.00024
1953 59.76510 3968.67715 4019.56030 0.00025
1954 59.79110 3774.04059 3769.96021 0.00027
1955 59.81710 3626.20444 3660.25000 0.00027
1956 59.84310 3538.40305 3492.80981 0.00029
1957 59.86910 3518.65031 3528.36011 0.00028
1958 59.89510 3571.30477 3600.00000 0.00028
1959 59.92110 3696.53756 3648.16016 0.00027
1960 59.94710 3886.41231 3918.75977 0.00026
1961 59.97310 4119.48142 4019.56030 0.00025
1962 59.99910 4358.86637 4395.69043 0.00023
1963 60.02510 4558.77169 4502.40967 0.00022
1964 60.05110 4679.80905 4624.00000 0.00022
1965 60.07710 4705.86944 4664.89063 0.00021
1966 60.10310 4649.15685 4747.21045 0.00021
1967 60.12910 4537.27833 4489.00000 0.00022
1968 60.15510 4395.50591 4448.88965 0.00022
1969 60.18110 4239.14247 4251.03955 0.00024
1970 60.20710 4074.86831 4173.15967 0.00024
1971 60.23310 3905.45487 4070.43994 0.00025
1972 60.25910 3734.78120 3794.55981 0.00026
1973 60.28510 3569.59613 3672.35986 0.00027
1974 60.31110 3417.71578 3564.09009 0.00028
1975 60.33710 3285.98623 3387.23999 0.00030
1976 60.36310 3179.42796 3214.89014 0.00031
1977 60.38910 3100.82429 3091.35986 0.00032
1978 60.41510 3050.55666 3091.35986 0.00032
1979 60.44110 3026.72401 2992.09009 0.00033
1980 60.46710 3025.35892 3014.01025 0.00033
1981 60.49310 3040.79075 3058.08984 0.00033
1982 60.51910 3066.31857 3003.03979 0.00033
1983 60.54510 3095.08984 3058.08984 0.00033
1984 60.57110 3120.82541 3091.35986 0.00032
1985 60.59710 3138.22759 3124.81006 0.00032
1986 60.62310 3143.71772 3180.96021 0.00031
1987 60.64910 3137.08790 3192.25000 0.00031
1988 60.67510 3122.80590 3158.44019 0.00032
1989 60.70110 3108.92795 3180.96021 0.00031
1990 60.72710 3103.88056 3124.81006 0.00032
1991 60.75310 3113.49319 3113.63989 0.00032
1992 60.77910 3139.63101 3203.55981 0.00031
1993 60.80510 3180.01537 3237.61011 0.00031
1994 60.83110 3228.56835 3237.61011 0.00031
1995 60.85710 3276.22665 3294.76025 0.00030
1996 60.88310 3312.85912 3294.76025 0.00030
1997 60.90910 3330.89433 3387.23999 0.00030
1998 60.93510 3329.66354 3352.41016 0.00030
1999 60.96110 3317.24248 3283.28979 0.00030
2000 60.98710 3307.40104 3329.29004 0.00030
2001 61.01310 3314.12340 3340.83984 0.00030
2002 61.03910 3348.33567 3375.60986 0.00030
2003 61.06510 3417.76150 3445.69019 0.00029
2004 61.09110 3527.34605 3552.15991 0.00028
2005 61.11710 3677.89674 3660.25000 0.00027
2006 61.14310 3862.75077 3831.61011 0.00026
2007 61.16910 4064.75562 4057.69019 0.00025
2008 61.19510 4257.29979 4290.25000 0.00023
2009 61.22110 4411.69911 4395.69043 0.00023
2010 61.24710 4508.87441 4435.55957 0.00023
2011 61.27310 4548.18208 4502.40967 0.00022
2012 61.29910 4545.33984 4475.61035 0.00022
2013 61.32510 4519.87633 4502.40967 0.00022
2014 61.35110 4483.18824 4395.69043 0.00023
2015 61.37710 4436.19550 4329.64063 0.00023
2016 61.40310 4375.92053 4277.16016 0.00023
2017 61.42910 4305.35925 4238.00977 0.00024
2018 61.45510 4238.37929 4225.00000 0.00024
2019 61.48110 4193.83070 4238.00977 0.00024
2020 61.50710 4183.55781 4316.48975 0.00023
2021 61.53310 4204.17218 4342.81006 0.00023
2022 61.55910 4237.19114 4395.69043 0.00023
2023 61.58510 4256.88687 4448.88965 0.00022
2024 61.61110 4242.52049 4369.20996 0.00023
2025 61.63710 4189.42417 4356.00000 0.00023
2026 61.66310 4112.80258 4238.00977 0.00024
2027 61.68910 4040.77049 4134.49023 0.00024
2028 61.71510 4000.23838 4057.69019 0.00025
2029 61.74110 4005.66139 4134.49023 0.00024
2030 61.76710 4057.44519 4108.80957 0.00024
2031 61.79310 4148.25273 4160.25000 0.00024
2032 61.81910 4271.33514 4316.48975 0.00023
2033 61.84510 4425.12788 4422.25000 0.00023
2034 61.87110 4610.53289 4475.61035 0.00022
2035 61.89710 4821.59931 4733.44043 0.00021
2036 61.92310 5035.84926 4900.00000 0.00020
2037 61.94910 5213.44351 4956.16016 0.00020
2038 61.97510 5310.15347 5041.00000 0.00020
2039 62.00110 5299.38992 5041.00000 0.00020
2040 62.02710 5189.14141 5083.69043 0.00020
2041 62.05310 5018.32018 4942.09033 0.00020
2042 62.07910 4832.51939 4664.89063 0.00021
2043 62.10510 4659.11676 4637.60986 0.00022
2044 62.13110 4499.63932 4475.61035 0.00022
2045 62.15710 4339.29311 4329.64063 0.00023
2046 62.18310 4163.43256 4173.15967 0.00024
2047 62.20910 3970.10820 3918.75977 0.00026
2048 62.23510 3771.68202 3893.76025 0.00026
2049 62.26110 3586.76402 3648.16016 0.00027
2050 62.28710 3430.77087 3504.64014 0.00029
2051 62.31310 3311.78541 3271.84009 0.00031
2052 62.33910 3231.92434 3283.28979 0.00030
2053 62.36510 3191.27010 3113.63989 0.00032
2054 62.39110 3191.59586 3249.00000 0.00031
2055 62.41710 3238.07535 3226.23999 0.00031
2056 62.44310 3338.37643 3249.00000 0.00031
2057 62.46910 3499.49562 3492.80981 0.00029
2058 62.49510 3723.10623 3624.04004 0.00028
2059 62.52110 4000.57753 3868.84009 0.00026
2060 62.54710 4309.71526 4186.08984 0.00024
2061 62.57310 4615.76437 4489.00000 0.00022
2062 62.59910 4878.19839 4900.00000 0.00020
2063 62.62510 5061.90670 5112.25000 0.00020
2064 62.65110 5147.27850 5402.25000 0.00019
2065 62.67710 5133.06557 5169.61035 0.00019
2066 62.70310 5032.95498 4998.48975 0.00020
2067 62.72910 4871.93570 4788.63965 0.00021
2068 62.75510 4682.03900 4569.75977 0.00022
2069 62.78110 4493.44914 4489.00000 0.00022
2070 62.80710 4325.69385 4356.00000 0.00023
2071 62.83310 4185.64097 4303.35986 0.00023
2072 62.85910 4070.77274 4303.35986 0.00023
2073 62.88510 3973.67661 4147.36035 0.00024
2074 62.91110 3885.97456 4147.36035 0.00024
2075 62.93710 3800.86087 3969.00000 0.00025
2076 62.96310 3714.38243 3831.61011 0.00026
2077 62.98910 3626.50742 3721.00000 0.00027
2078 63.01510 3541.80773 3648.16016 0.00027
2079 63.04110 3468.24430 3612.00977 0.00028
2080 63.06710 3413.76293 3576.03979 0.00028
2081 63.09310 3382.57315 3540.25000 0.00028
2082 63.11910 3373.53495 3540.25000 0.00028
2083 63.14510 3381.63807 3600.00000 0.00028
2084 63.17110 3401.50977 3588.01025 0.00028
2085 63.19710 3430.65880 3564.09009 0.00028
2086 63.22310 3470.36240 3445.69019 0.00029
2087 63.24910 3523.88714 3492.80981 0.00029
2088 63.27510 3594.13933 3600.00000 0.00028
2089 63.30110 3682.99017 3708.81030 0.00027
2090 63.32710 3791.92112 3708.81030 0.00027
2091 63.35310 3921.56010 3844.00000 0.00026
2092 63.37910 4068.46928 4006.88989 0.00025
2093 63.40510 4220.77375 4173.15967 0.00024
2094 63.43110 4356.89139 4316.48975 0.00023
2095 63.45710 4451.01636 4356.00000 0.00023
2096 63.48310 4485.02128 4422.25000 0.00023
2097 63.50910 4460.54621 4435.55957 0.00023
2098 63.53510 4401.03069 4316.48975 0.00023
2099 63.56110 4339.29011 4238.00977 0.00024
2100 63.58710 4300.36105 4264.09033 0.00023
2101 63.61310 4292.80790 4290.25000 0.00023
2102 63.63910 4311.18139 4342.81006 0.00023
2103 63.66510 4344.73511 4382.43945 0.00023
2104 63.69110 4386.31741 4382.43945 0.00023
2105 63.71710 4436.61108 4448.88965 0.00022
2106 63.74310 4502.48224 4502.40967 0.00022
2107 63.76910 4591.28625 4502.40967 0.00022
2108 63.79510 4703.76648 4556.25000 0.00022
2109 63.82110 4828.99758 4692.25000 0.00021
2110 63.84710 4944.42411 4788.63965 0.00021
2111 63.87310 5021.66591 4816.36035 0.00021
2112 63.89910 5037.02713 4942.09033 0.00020
2113 63.92510 4982.82911 5026.81006 0.00020
2114 63.95110 4872.59585 4914.00977 0.00020
2115 63.97710 4735.35495 4774.80957 0.00021
2116 64.00310 4601.64287 4569.75977 0.00022
2117 64.02910 4490.15336 4422.25000 0.00023
2118 64.05510 4402.65213 4382.43945 0.00023
2119 64.08110 4327.89734 4369.20996 0.00023
2120 64.10710 4250.77621 4290.25000 0.00023
2121 64.13310 4161.47297 4199.04053 0.00024
2122 64.15910 4060.11799 4108.80957 0.00024
2123 64.18510 3955.28758 3969.00000 0.00025
2124 64.21110 3859.08008 3831.61011 0.00026
2125 64.23710 3783.29112 3769.96021 0.00027
2126 64.26310 3738.01514 3769.96021 0.00027
2127 64.28910 3730.38625 3745.44019 0.00027
2128 64.31510 3761.82232 3868.84009 0.00026
2129 64.34110 3825.00215 3881.28979 0.00026
2130 64.36710 3902.81172 3906.25000 0.00026
2131 64.39310 3970.87721 3956.41016 0.00025
2132 64.41910 4004.33332 4070.43994 0.00025
2133 64.44510 3987.30689 4070.43994 0.00025
2134 64.47110 3920.49368 3868.84009 0.00026
2135 64.49710 3821.04520 3806.89014 0.00026
2136 64.52310 3713.47699 3769.96021 0.00027
2137 64.54910 3618.04532 3696.63989 0.00027
2138 64.57510 3544.39431 3552.15991 0.00028
2139 64.60110 3492.22680 3588.01025 0.00028
2140 64.62710 3455.94256 3433.95972 0.00029
2141 64.65310 3429.35026 3352.41016 0.00030
2142 64.67910 3407.85898 3329.29004 0.00030
2143 64.70510 3387.96507 3329.29004 0.00030
2144 64.73110 3365.92997 3364.00000 0.00030
2145 64.75710 3337.73842 3398.88989 0.00029
2146 64.78310 3300.87381 3271.84009 0.00031
2147 64.80910 3256.45572 3169.68994 0.00032
2148 64.83510 3209.40627 3180.96021 0.00031
2149 64.86110 3165.95813 3014.01025 0.00033
2150 64.88710 3130.56915 3158.44019 0.00032
2151 64.91310 3104.64586 3147.20972 0.00032
2152 64.93910 3087.31676 3102.48999 0.00032
2153 64.96510 3076.85163 3036.00977 0.00033
2154 64.99110 3071.35894 3036.00977 0.00033
2155 65.01710 3068.48333 3058.08984 0.00033
2156 65.04310 3064.93336 2992.09009 0.00033
2157 65.06910 3056.92081 3102.48999 0.00032
2158 65.09510 3041.86608 2992.09009 0.00033
2159 65.12110 3020.43463 3003.03979 0.00033
2160 65.14710 2997.02824 2970.25000 0.00034
2161 65.17310 2977.69870 3014.01025 0.00033
2162 65.19910 2966.96459 2916.00000 0.00034
2163 65.22510 2965.91898 2862.25000 0.00035
2164 65.25110 2972.41007 2992.09009 0.00033
2165 65.27710 2982.68582 2926.80981 0.00034
2166 65.30310 2993.55150 2926.80981 0.00034
2167 65.32910 3004.04140 3036.00977 0.00033
2168 65.35510 3015.78247 3025.00000 0.00033
2169 65.38110 3031.91965 3014.01025 0.00033
2170 65.40710 3055.20229 3047.04004 0.00033
2171 65.43310 3085.91578 3025.00000 0.00033
2172 65.45910 3120.32404 3124.81006 0.00032
2173 65.48510 3150.65740 3306.25000 0.00030
2174 65.51110 3167.38784 3375.60986 0.00030
2175 65.53710 3163.19333 3364.00000 0.00030
2176 65.56310 3136.65777 3283.28979 0.00030
2177 65.58910 3093.23548 3080.25000 0.00032
2178 65.61510 3042.41593 2948.48999 0.00034
2179 65.64110 2993.06901 2959.36011 0.00034
2180 65.66710 2950.24153 2894.43994 0.00035
2181 65.69310 2914.83327 3014.01025 0.00033
2182 65.71910 2885.38307 3014.01025 0.00033
2183 65.74510 2860.44621 2905.21021 0.00034
2184 65.77110 2840.25320 2883.69019 0.00035
2185 65.79710 2827.04332 2840.88989 0.00035
2186 65.82310 2824.34233 2851.56006 0.00035
2187 65.84910 2835.86711 2809.00000 0.00036
2188 65.87510 2864.48362 2830.23999 0.00035
2189 65.90110 2911.26577 2872.95972 0.00035
2190 65.92710 2974.69672 2872.95972 0.00035
2191 65.95310 3050.29099 2894.43994 0.00035
2192 65.97910 3131.04099 3036.00977 0.00033
2193 66.00510 3208.88650 3080.25000 0.00032
2194 66.03110 3276.90777 3147.20972 0.00032
2195 66.05710 3331.21859 3169.68994 0.00032
2196 66.08310 3371.11591 3260.40991 0.00031
2197 66.10910 3397.32320 3294.76025 0.00030
2198 66.13510 3410.55574 3214.89014 0.00031
2199 66.16110 3412.41897 3317.75977 0.00030
2200 66.18710 3407.48946 3364.00000 0.00030
2201 66.21310 3403.67258 3306.25000 0.00030
2202 66.23910 3409.72114 3364.00000 0.00030
2203 66.26510 3431.62901 3352.41016 0.00030
2204 66.29110 3470.10483 3375.60986 0.00030
2205 66.31710 3520.05072 3469.21021 0.00029
2206 66.34310 3572.07037 3504.64014 0.00029
2207 66.36910 3615.39308 3576.03979 0.00028
2208 66.39510 3641.02862 3540.25000 0.00028
2209 66.42110 3643.95306 3504.64014 0.00029
2210 66.44710 3623.67530 3528.36011 0.00028
2211 66.47310 3583.45455 3481.00000 0.00029
2212 66.49910 3529.45729 3469.21021 0.00029
2213 66.52510 3470.53039 3387.23999 0.00030
2214 66.55110 3417.42427 3306.25000 0.00030
2215 66.57710 3380.81442 3306.25000 0.00030
2216 66.60310 3369.42526 3260.40991 0.00031
2217 66.62910 3389.20566 3294.76025 0.00030
2218 66.65510 3442.86561 3340.83984 0.00030
2219 66.68110 3528.89808 3375.60986 0.00030
2220 66.70710 3640.07525 3576.03979 0.00028
2221 66.73310 3762.21340 3696.63989 0.00027
2222 66.75910 3874.67383 3831.61011 0.00026
2223 66.78510 3954.12349 4057.69019 0.00025
2224 66.81110 3981.53781 4044.95972 0.00025
2225 66.83710 3949.68568 4044.95972 0.00025
2226 66.86310 3866.79399 3856.40991 0.00026
2227 66.88910 3753.27898 3745.44019 0.00027
2228 66.91510 3632.31799 3636.08984 0.00028
2229 66.94110 3520.20534 3445.69019 0.00029
2230 66.96710 3422.56133 3352.41016 0.00030
2231 66.99310 3336.77619 3375.60986 0.00030
2232 67.01910 3257.34352 3294.76025 0.00030
2233 67.04510 3180.69044 3180.96021 0.00031
2234 67.07110 3107.36256 3091.35986 0.00032
2235 67.09710 3041.16320 2959.36011 0.00034
2236 67.12310 2986.56916 2862.25000 0.00035
2237 67.14910 2946.38306 2862.25000 0.00035
2238 67.17510 2920.73964 2916.00000 0.00034
2239 67.20110 2907.50555 2937.64014 0.00034
2240 67.22710 2903.62439 2851.56006 0.00035
2241 67.25310 2906.77387 2894.43994 0.00035
2242 67.27910 2916.53688 2937.64014 0.00034
2243 67.30510 2934.50749 2992.09009 0.00033
2244 67.33110 2963.53825 3047.04004 0.00033
2245 67.35710 3006.84376 3147.20972 0.00032
2246 67.38310 3067.17924 3091.35986 0.00032
2247 67.40910 3145.74433 3014.01025 0.00033
2248 67.43510 3240.84828 3260.40991 0.00031
2249 67.46110 3347.09364 3260.40991 0.00031
2250 67.48710 3455.91917 3410.56006 0.00029
2251 67.51310 3557.75892 3469.21021 0.00029
2252 67.53910 3645.24641 3410.56006 0.00029
2253 67.56510 3715.78119 3469.21021 0.00029
2254 67.59110 3771.19490 3672.35986 0.00027
2255 67.61710 3814.26122 3660.25000 0.00027
2256 67.64310 3845.33907 3672.35986 0.00027
2257 67.66910 3862.35245 3831.61011 0.00026
2258 67.69510 3863.30146 3844.00000 0.00026
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