#------------------------------------------------------------------------------
#$Date: 2025-04-05 13:38:29 +0200 (Sat, 05 Apr 2025) $
#$Revision: 299186 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/34/2023416.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2023416
loop_
_publ_author_name
'Sunitha Kumari, M.'
'Harish Kumar, M.'
'Deevith, D. V.'
'Devarajegowda, H. C.'
'Palakshamurthy, B. S.'
_publ_section_title
;
Crystal structure, Hirshfeld surface, DFT, mol-ecular docking of
1-[(6-tert-butyl-2-oxo-2H-chromen-4-yl)meth-yl]-4,4-di-methyl-piperidine-2,6-dione
and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal
epithelial (A549) cell lines.
;
_journal_coeditor_code NX2021
_journal_issue 'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first 257
_journal_page_last 263
_journal_paper_doi 10.1107/S2056989025001550
_journal_volume 81
_journal_year 2025
_chemical_formula_iupac 'C21 H25 N O4'
_chemical_formula_moiety 'C21 H25 N O4'
_chemical_formula_sum 'C21 H25 N O4'
_chemical_formula_weight 355.42
_chemical_melting_point 546
_chemical_name_systematic
1-[(6-tert-Butyl-2-oxo-2H-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
_space_group_crystal_system monoclinic
_space_group_IT_number 15
_space_group_name_Hall '-C 2yc'
_space_group_name_H-M_alt 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_audit_creation_method SHELXL-2018/3
_cell_angle_alpha 90
_cell_angle_beta 113.189(2)
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 17.9534(7)
_cell_length_b 15.8109(7)
_cell_length_c 14.6429(6)
_cell_measurement_reflns_used 2922
_cell_measurement_temperature 296(2)
_cell_measurement_theta_max 26.0
_cell_measurement_theta_min 2.6
_cell_volume 3820.7(3)
_computing_cell_refinement
;
APEX2 (Bruker, 2014) and SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
Mercury (Macrae et al., 2020)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 296(2)
_diffrn_detector_area_resol_mean 0.97
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type 'Bruker SMART APEXII CCD'
_diffrn_measurement_method '\f and \W scans'
_diffrn_radiation_monochromator Graphite
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0420
_diffrn_reflns_av_unetI/netI 0.0252
_diffrn_reflns_limit_h_max 21
_diffrn_reflns_limit_h_min -21
_diffrn_reflns_limit_k_max 18
_diffrn_reflns_limit_k_min -18
_diffrn_reflns_limit_l_max 17
_diffrn_reflns_limit_l_min -17
_diffrn_reflns_number 22459
_diffrn_reflns_theta_full 24.999
_diffrn_reflns_theta_max 24.999
_diffrn_reflns_theta_min 2.635
_diffrn_source 'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu 0.085
_exptl_absorpt_correction_T_max 0.985
_exptl_absorpt_correction_T_min 0.980
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 1.236
_exptl_crystal_description BLOCK
_exptl_crystal_F_000 1520
_exptl_crystal_size_max 0.230
_exptl_crystal_size_mid 0.210
_exptl_crystal_size_min 0.170
_refine_diff_density_max 0.258
_refine_diff_density_min -0.323
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.059
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_constraints 0
_refine_ls_number_parameters 240
_refine_ls_number_reflns 3365
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.059
_refine_ls_R_factor_all 0.0506
_refine_ls_R_factor_gt 0.0431
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0469P)^2^+4.1402P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1062
_refine_ls_wR_factor_ref 0.1110
_reflns_number_gt 2922
_reflns_number_total 3365
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file nx2021.cif
_cod_data_source_block I
_cod_depositor_comments 'Adding full bibliography for 2023416.cif.'
_cod_original_sg_symbol_H-M 'C 2/c'
_cod_database_code 2023416
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min 0.981
_shelx_estimated_absorpt_t_max 0.986
_shelx_hkl_file
;
3 -3 0 359.96 16.70
3 -3 0 380.66 16.00
-3 3 0 358.86 16.80
-3 3 0 373.56 15.60
4 -4 0 68.09 5.90
4 -4 0 75.19 5.50
-4 4 0 69.39 6.10
-4 4 0 65.99 4.90
5 -5 0 244.18 12.90
5 -5 0 228.28 16.00
-5 5 0 221.78 13.80
-5 5 0 241.78 12.30
6 -6 0 279.87 15.50
-6 6 0 286.77 17.20
7 -7 0 176.38 12.20
-7 7 0 176.88 13.50
8 -8 0 13.80 3.90
-8 8 0 12.30 3.90
9 -9 0 4.70 2.50
-9 9 0 4.00 3.00
10 -10 0 362.16 22.40
-10 10 0 354.76 24.40
11 -11 0 40.20 8.20
-11 11 0 42.60 9.00
12 -12 0 24.20 6.10
-12 12 0 33.10 9.20
13 -13 0 177.48 16.50
-13 13 0 190.78 19.50
14 -14 0 24.60 5.90
14 -14 0 16.30 6.30
-14 14 0 20.60 7.10
15 -15 0 34.20 9.50
-15 15 0 23.50 8.10
-14 16 0 19.20 7.60
14 -16 0 1.20 4.10
-13 15 0 34.20 9.60
13 -15 0 18.00 5.80
-12 14 0 29.80 7.70
12 -14 0 36.10 8.80
-11 13 0 104.59 13.20
11 -13 0 107.09 12.20
-10 12 0 76.09 10.60
10 -12 0 75.89 9.10
-9 11 0 1822.92 78.49
9 -11 0 1763.02 75.09
-8 10 0 5.10 3.00
8 -10 0 4.20 2.70
-7 9 0 59.99 7.80
7 -9 0 53.99 6.80
-6 8 0 199.78 14.50
6 -8 0 204.38 13.50
-5 7 0 143.69 11.20
5 -7 0 158.98 10.90
-4 6 0 37.70 4.80
4 -6 0 43.80 5.10
4 -6 0 42.60 4.80
-3 5 0 554.14 23.60
-3 5 0 546.75 24.80
3 -5 0 571.34 24.80
-2 4 0 123.59 7.70
-2 4 0 129.29 7.10
2 -4 0 119.19 7.60
-1 3 0 2145.89 76.19
-1 3 0 2114.19 76.59
-1 3 0 2026.50 75.39
1 -3 0 2117.09 75.49
1 -3 0 2106.29 76.59
1 -3 0 2129.69 76.39
0 -2 0 466.85 18.40
3 -1 0 14.20 1.90
3 -1 0 13.80 1.70
3 -1 0 17.10 1.50
-3 1 0 15.00 1.40
-3 1 0 15.60 2.10
-3 1 0 11.90 1.70
4 -2 0 337.27 14.10
4 -2 0 336.87 15.80
4 -2 0 328.47 14.00
-4 2 0 339.17 13.90
-4 2 0 308.57 15.60
-4 2 0 323.27 14.40
5 -3 0 121.99 8.50
5 -3 0 126.49 6.30
5 -3 0 115.89 7.00
-5 3 0 103.49 8.10
-5 3 0 120.99 6.80
-5 3 0 112.19 6.70
6 -4 0 115.79 7.90
6 -4 0 141.59 6.40
-6 4 0 119.09 7.10
-6 4 0 126.69 9.70
-6 4 0 123.09 7.60
7 -5 0 30.00 2.20
7 -5 0 29.10 4.00
-7 5 0 32.00 5.00
8 -6 0 0.40 1.10
-8 6 0 0.10 1.70
9 -7 0 286.97 17.20
-9 7 0 282.57 19.30
10 -8 0 240.98 16.40
-10 8 0 260.07 19.20
11 -9 0 266.87 18.00
-11 9 0 261.37 20.70
12 -10 0 83.09 9.30
-12 10 0 49.90 9.90
13 -11 0 741.93 38.50
-13 11 0 712.23 42.20
14 -12 0 49.10 9.30
14 -12 0 36.80 9.90
-14 12 0 74.89 10.90
15 -13 0 13.20 6.70
15 -13 0 17.30 6.50
-15 13 0 4.10 6.40
16 -14 0 85.49 11.20
16 -14 0 55.59 12.20
-16 14 0 62.39 13.10
-13 17 0 21.10 8.40
13 -17 0 7.60 5.30
-12 16 0 36.90 9.80
12 -16 0 39.00 9.60
-11 15 0 -2.30 4.20
11 -15 0 3.00 3.20
-10 14 0 17.60 6.30
10 -14 0 22.80 6.80
-9 13 0 87.29 11.60
9 -13 0 97.49 11.30
-8 12 0 213.18 18.00
8 -12 0 247.48 18.00
-7 11 0 334.67 22.50
7 -11 0 357.16 21.80
-6 10 0 72.99 8.80
6 -10 0 65.69 7.90
-5 9 0 1.60 1.90
5 -9 0 -0.60 1.40
-4 8 0 139.69 10.80
4 -8 0 143.09 10.60
-3 7 0 274.37 16.00
3 -7 0 311.17 19.30
3 -7 0 304.17 12.90
3 -7 0 280.87 15.70
-2 6 0 364.96 18.40
-2 6 0 348.77 16.10
-2 6 0 388.66 17.70
2 -6 0 395.66 18.80
2 -6 0 387.76 18.30
2 -6 0 404.06 16.70
-1 5 0 1317.97 56.09
-1 5 0 1423.46 56.09
-1 5 0 1558.44 57.39
1 -5 0 1601.74 57.59
1 -5 0 1530.45 56.59
1 -5 0 1599.24 57.19
0 4 0 161.58 9.10
0 4 0 165.28 8.90
0 4 0 178.88 8.70
0 -4 0 165.08 9.30
0 -4 0 175.48 8.80
0 -4 0 168.08 8.90
1 3 0 2103.19 75.19
1 3 0 1995.30 77.29
1 3 0 2122.59 75.39
-1 -3 0 2132.19 75.09
-1 -3 0 2078.49 77.59
-1 -3 0 2114.49 75.19
3 1 0 17.80 1.50
3 1 0 14.20 1.60
3 1 0 15.40 2.50
3 1 0 17.70 2.10
-3 -1 0 14.90 1.40
-3 -1 0 11.80 1.50
-3 -1 0 18.50 2.80
4 0 0 8.50 2.20
4 0 0 9.00 1.20
4 0 0 8.00 1.70
4 0 0 9.80 1.00
4 0 0 8.70 1.80
-4 0 0 5.70 1.40
-4 0 0 10.10 2.10
-4 0 0 7.10 2.10
-4 0 0 9.60 1.20
5 -1 0 1873.11 70.99
5 -1 0 1969.90 68.59
5 -1 0 1729.43 70.39
5 -1 0 1891.41 70.79
5 -1 0 1926.11 68.09
-5 1 0 1852.71 71.29
-5 1 0 1824.42 71.19
-5 1 0 1974.20 68.19
6 -2 0 208.88 10.30
6 -2 0 194.88 11.20
6 -2 0 205.08 12.40
6 -2 0 225.88 10.40
6 -2 0 204.18 12.40
-6 2 0 204.88 12.70
-6 2 0 195.68 11.80
-6 2 0 226.18 10.20
7 -3 0 65.59 5.00
7 -3 0 64.69 5.10
7 -3 0 61.39 5.10
-7 3 0 64.69 5.00
-7 3 0 64.29 5.90
-7 3 0 59.89 6.70
8 -4 0 1235.28 49.20
8 -4 0 1326.07 47.70
-8 4 0 1190.58 52.79
-8 4 0 1211.58 49.30
9 -5 0 8.50 2.50
9 -5 0 10.00 1.90
-9 5 0 8.40 2.40
-9 5 0 4.50 2.20
10 -6 0 214.98 13.70
10 -6 0 206.58 9.50
-10 6 0 192.48 15.80
-10 6 0 207.58 11.70
11 -7 0 442.26 24.10
-11 7 0 452.25 27.80
12 -8 0 4.40 2.80
12 -8 0 2.40 2.30
-12 8 0 -0.40 2.60
13 -9 0 151.48 13.30
13 -9 0 140.89 15.40
-13 9 0 151.18 16.10
14 -10 0 1.30 3.30
14 -10 0 2.60 3.00
-14 10 0 1.90 3.90
15 -11 0 2.90 2.90
15 -11 0 -0.50 3.80
-15 11 0 -0.80 3.80
16 -12 0 75.29 11.20
16 -12 0 61.19 12.80
-16 12 0 73.69 14.80
17 -13 0 -3.90 3.80
17 -13 0 1.60 4.40
-17 13 0 15.70 6.90
-11 17 0 41.50 10.00
11 -17 0 49.50 10.30
-10 16 0 -0.70 3.80
10 -16 0 -2.70 2.90
-9 15 0 7.10 4.40
9 -15 0 1.80 3.00
-8 14 0 48.40 9.90
8 -14 0 38.50 8.00
-7 13 0 6.00 3.60
7 -13 0 8.70 4.20
-6 12 0 -0.10 2.00
6 -12 0 0.80 2.00
-5 11 0 80.59 8.80
5 -11 0 73.59 8.50
-4 10 0 766.22 36.20
4 -10 0 732.83 35.10
-3 9 0 9.60 2.20
-3 9 0 6.70 2.00
-3 9 0 9.70 3.10
3 -9 0 10.80 2.50
3 -9 0 12.20 3.50
-2 8 0 560.34 25.90
-2 8 0 646.34 28.90
2 -8 0 633.24 26.90
2 -8 0 660.73 28.90
-1 7 0 2375.66 91.49
-1 7 0 2198.98 90.19
1 -7 0 2501.25 91.89
1 -7 0 2591.94 91.69
1 -7 0 2529.45 91.59
0 6 0 2310.77 82.49
0 6 0 2238.88 81.49
0 6 0 2005.70 82.39
0 -6 0 2192.38 83.29
0 -6 0 2239.48 81.89
0 -6 0 2216.58 81.89
1 5 0 1407.66 58.69
1 5 0 1538.55 56.59
1 5 0 1562.94 57.29
-1 -5 0 1529.15 56.59
-1 -5 0 1540.15 59.59
-1 -5 0 1509.75 56.29
2 4 0 125.49 6.50
2 4 0 120.79 6.60
2 4 0 114.99 8.60
-2 -4 0 120.09 9.00
-2 -4 0 123.99 6.30
-2 -4 0 129.79 6.50
3 3 0 368.86 14.30
3 3 0 371.76 14.90
-3 -3 0 370.96 14.90
-3 -3 0 360.36 14.50
-3 -3 0 337.57 18.40
4 2 0 294.17 16.90
4 2 0 343.37 13.20
4 2 0 324.27 14.00
-4 -2 0 335.67 14.30
-4 -2 0 344.47 13.50
5 1 0 1974.60 69.19
5 1 0 1879.41 70.39
5 1 0 2020.80 68.49
5 1 0 1939.61 71.89
5 1 0 1757.12 73.29
-5 -1 0 1859.61 70.69
-5 -1 0 1926.71 68.69
-5 -1 0 1889.41 74.29
6 0 0 968.20 38.20
6 0 0 994.50 36.30
6 0 0 865.71 39.40
6 0 0 983.20 35.20
6 0 0 948.71 39.00
-6 0 0 916.51 40.50
-6 0 0 925.01 39.20
7 -1 0 259.67 14.90
7 -1 0 253.67 11.50
7 -1 0 225.88 14.10
7 -1 0 238.58 13.90
7 -1 0 265.17 12.40
-7 1 0 241.08 14.70
-7 1 0 253.57 11.80
-7 1 0 251.47 15.20
8 -2 0 9.20 2.70
8 -2 0 14.10 2.60
8 -2 0 16.40 2.90
8 -2 0 11.10 3.10
-8 2 0 12.30 2.40
-8 2 0 8.70 2.60
-8 2 0 10.50 3.30
9 -3 0 432.46 23.30
9 -3 0 430.36 19.70
9 -3 0 404.66 20.30
-9 3 0 424.46 23.80
-9 3 0 419.06 22.10
10 -4 0 586.24 25.20
10 -4 0 569.64 25.80
10 -4 0 558.74 29.60
-10 4 0 541.35 30.00
-10 4 0 529.35 26.90
11 -5 0 112.09 7.50
11 -5 0 97.79 8.50
11 -5 0 104.89 11.10
-11 5 0 100.39 8.90
-11 5 0 95.39 11.00
12 -6 0 63.09 5.00
12 -6 0 59.29 8.70
12 -6 0 63.09 7.20
-12 6 0 63.49 8.90
-12 6 0 78.99 7.30
13 -7 0 600.14 35.00
13 -7 0 615.44 24.30
13 -7 0 635.64 31.40
-13 7 0 641.64 36.50
-13 7 0 564.04 27.40
14 -8 0 91.79 10.10
14 -8 0 78.79 11.20
-14 8 0 86.49 12.50
15 -9 0 21.70 6.00
15 -9 0 22.50 6.80
-15 9 0 13.60 6.30
16 -10 0 28.90 8.40
16 -10 0 30.90 7.40
-16 10 0 35.60 9.70
17 -11 0 -3.80 4.20
17 -11 0 -1.20 4.60
-17 11 0 9.00 5.90
18 -12 0 6.70 5.30
-18 12 0 21.90 8.30
-10 18 0 29.10 8.50
10 -18 0 12.90 5.60
-9 17 0 5.20 5.20
9 -17 0 -1.90 2.80
-8 16 0 29.80 7.70
8 -16 0 35.10 8.50
-7 15 0 66.59 10.40
7 -15 0 80.79 10.60
-6 14 0 3.90 2.80
6 -14 0 0.10 2.50
-5 13 0 29.30 6.90
5 -13 0 27.80 6.40
-4 12 0 6.90 3.40
4 -12 0 10.00 3.00
-3 11 0 -0.30 1.20
-3 11 0 -2.00 1.40
-3 11 0 0.80 1.20
3 -11 0 0.00 1.30
3 -11 0 2.40 1.70
-2 10 0 16.70 4.30
-2 10 0 14.20 3.20
2 -10 0 16.10 3.60
2 -10 0 18.10 4.30
-1 9 0 150.58 10.80
-1 9 0 170.38 11.80
1 -9 0 191.48 12.10
1 -9 0 174.88 11.80
0 8 0 44.30 5.20
0 8 0 36.10 5.20
0 -8 0 44.90 5.70
0 -8 0 44.80 5.00
0 -8 0 43.00 5.10
1 7 0 2502.65 93.19
1 7 0 2471.85 92.19
-1 -7 0 2534.65 92.49
-1 -7 0 2439.76 91.89
-1 -7 0 2514.05 96.09
2 6 0 390.16 17.30
2 6 0 349.17 19.50
2 6 0 319.97 16.20
-2 -6 0 370.76 16.30
-2 -6 0 399.36 20.90
-2 -6 0 386.66 16.80
3 5 0 566.44 22.40
3 5 0 570.54 22.80
3 5 0 486.75 26.20
-3 -5 0 539.45 22.10
-3 -5 0 558.24 22.30
-3 -5 0 586.74 28.00
4 4 0 74.39 4.40
4 4 0 73.79 7.40
4 4 0 80.69 4.90
-4 -4 0 74.99 4.80
-4 -4 0 70.89 7.60
-4 -4 0 70.19 4.40
5 3 0 104.49 9.40
5 3 0 117.69 6.70
5 3 0 115.89 5.70
-5 -3 0 108.89 9.90
-5 -3 0 120.59 7.00
-5 -3 0 122.99 6.30
6 2 0 210.98 10.90
6 2 0 200.98 12.00
6 2 0 194.18 13.70
6 2 0 219.88 9.80
-6 -2 0 219.38 9.70
-6 -2 0 204.38 14.50
-6 -2 0 204.68 11.20
7 1 0 264.47 10.80
7 1 0 260.87 14.50
7 1 0 252.97 11.80
7 1 0 254.37 13.30
7 1 0 213.08 15.00
-7 -1 0 228.78 16.00
-7 -1 0 249.88 10.90
-7 -1 0 236.78 13.50
8 0 0 309.07 14.50
8 0 0 322.37 13.40
8 0 0 267.07 17.30
-8 0 0 300.27 18.90
-8 0 0 304.37 17.80
9 -1 0 591.84 25.00
9 -1 0 579.44 27.40
9 -1 0 514.55 27.40
9 -1 0 584.34 23.70
-9 1 0 591.74 29.20
-9 1 0 554.24 29.30
10 -2 0 53.79 6.60
10 -2 0 41.90 6.00
10 -2 0 52.09 4.80
10 -2 0 56.69 6.80
-10 2 0 44.30 5.50
-10 2 0 46.80 6.90
-10 2 0 59.89 7.40
11 -3 0 1006.80 46.20
11 -3 0 1005.60 41.50
-11 3 0 1035.70 48.00
-11 3 0 1013.50 46.10
12 -4 0 482.25 23.10
12 -4 0 462.55 26.90
-12 4 0 453.55 27.90
-12 4 0 432.46 25.10
13 -5 0 1.50 2.00
13 -5 0 0.00 2.30
-13 5 0 3.50 1.60
-13 5 0 -1.90 2.00
14 -6 0 10.30 3.80
14 -6 0 4.80 3.60
14 -6 0 6.60 2.40
-14 6 0 8.50 4.50
-14 6 0 13.70 4.30
15 -7 0 11.70 4.50
15 -7 0 17.90 6.10
-15 7 0 18.00 6.10
-15 7 0 22.00 5.30
16 -8 0 24.80 6.90
16 -8 0 17.60 5.40
-16 8 0 22.80 6.60
17 -9 0 25.20 8.00
17 -9 0 37.60 7.90
-17 9 0 33.90 9.70
18 -10 0 12.90 5.00
18 -10 0 8.00 6.00
-18 10 0 22.60 7.50
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11 -5 -4 8.30 3.30
11 -5 -4 13.50 3.50
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-6 -2 5 54.29 4.20
-6 -2 5 53.19 5.30
7 1 -5 9.90 2.40
7 1 -5 11.00 2.20
-7 -1 5 10.20 1.70
-7 -1 5 9.10 2.50
8 0 -5 0.70 0.90
8 0 -5 0.70 0.90
-8 0 5 0.90 1.40
-8 0 5 0.30 0.70
9 -1 -5 3980.80 143.79
9 -1 -5 4006.50 146.29
-9 1 5 4109.99 147.89
-9 1 5 3923.21 143.49
10 -2 -5 539.75 25.60
10 -2 -5 549.85 23.40
-10 2 5 539.85 23.20
-10 2 5 559.44 26.70
11 -3 -5 179.68 12.30
11 -3 -5 177.08 10.40
-11 3 5 182.88 10.80
-11 3 5 160.08 12.20
12 -4 -5 0.40 1.80
12 -4 -5 1.10 1.10
-12 4 5 0.40 1.40
13 -5 -5 98.39 9.40
13 -5 -5 103.49 8.70
-13 5 5 98.89 10.00
14 -6 -5 98.49 10.40
14 -6 -5 113.39 9.60
-14 6 5 92.29 9.80
15 -7 -5 51.79 7.20
15 -7 -5 74.19 9.40
-15 7 5 54.69 7.60
16 -8 -5 489.35 26.40
16 -8 -5 485.95 29.40
-16 8 5 432.36 26.00
17 -9 -5 114.99 13.40
17 -9 -5 136.39 12.60
-17 9 5 132.29 11.80
18 -10 -5 163.48 16.80
18 -10 -5 167.78 14.40
-18 10 5 124.89 12.10
19 -11 -5 2.00 4.70
19 -11 -5 8.70 3.70
-7 17 -5 -0.20 4.40
7 -17 5 4.70 4.10
-6 16 -5 66.49 12.80
6 -16 5 43.80 9.90
-5 15 -5 46.00 10.20
5 -15 5 45.10 9.20
-4 14 -5 124.19 13.30
4 -14 5 103.99 11.60
-3 13 -5 16.10 5.20
3 -13 5 8.90 4.10
-2 12 -5 8.40 4.30
-2 12 -5 10.10 2.80
2 -12 5 11.30 4.10
2 -12 5 9.10 3.00
-1 11 -5 7.30 2.10
-1 11 -5 1.20 2.70
1 -11 5 7.30 3.00
1 -11 5 5.20 2.60
0 10 -5 900.81 33.30
0 10 -5 824.62 40.60
0 -10 5 739.53 36.40
0 -10 5 817.52 36.90
1 9 -5 21.50 3.10
1 9 -5 17.50 5.10
-1 -9 5 23.10 4.50
-1 -9 5 18.50 4.50
2 8 -5 174.98 10.40
2 8 -5 174.88 13.70
-2 -8 5 163.28 11.90
-2 -8 5 165.08 10.60
3 7 -5 222.98 15.80
-3 -7 5 283.87 13.50
-3 -7 5 227.88 14.80
4 6 -5 7.20 2.60
-4 -6 5 7.70 2.30
-4 -6 5 3.20 2.00
-4 -6 5 10.70 2.30
5 5 -5 780.12 34.60
-5 -5 5 805.52 32.80
-5 -5 5 789.72 35.70
-5 -5 5 827.02 31.20
6 4 -5 611.24 24.10
6 4 -5 583.34 27.10
-6 -4 5 621.04 23.90
-6 -4 5 619.14 29.10
-6 -4 5 634.84 25.50
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7 3 -5 146.49 7.30
-7 -3 5 147.89 7.00
-7 -3 5 143.79 10.90
-7 -3 5 143.99 7.50
8 2 -5 65.19 5.70
8 2 -5 63.99 4.20
-8 -2 5 60.39 3.60
-8 -2 5 64.79 7.00
9 1 -5 4092.49 139.79
9 1 -5 3895.51 142.89
-9 -1 5 3775.42 146.19
-9 -1 5 3876.41 138.79
10 0 -5 6.90 2.20
10 0 -5 7.90 1.70
-10 0 5 6.90 1.60
-10 0 5 8.60 3.10
11 -1 -5 3112.39 109.39
11 -1 -5 3062.89 113.49
-11 1 5 2938.31 116.39
-11 1 5 2949.41 108.99
12 -2 -5 736.83 33.40
12 -2 -5 768.62 30.00
-12 2 5 692.23 29.10
-12 2 5 671.13 35.10
13 -3 -5 4.20 2.40
13 -3 -5 -2.00 1.20
-13 3 5 1.70 2.30
14 -4 -5 90.49 7.50
14 -4 -5 78.89 8.80
-14 4 5 64.39 8.80
15 -5 -5 6.20 2.40
15 -5 -5 0.90 2.10
-15 5 5 -2.00 2.70
16 -6 -5 522.65 25.80
16 -6 -5 496.95 28.90
-16 6 5 449.76 28.10
17 -7 -5 200.08 14.50
17 -7 -5 179.48 16.60
-17 7 5 194.48 15.70
18 -8 -5 144.99 12.60
18 -8 -5 113.19 13.30
-18 8 5 120.59 12.70
19 -9 -5 226.78 20.00
19 -9 -5 217.38 16.70
-19 9 5 182.38 16.10
20 -10 -5 50.39 9.90
20 -10 -5 36.50 9.40
-6 18 -5 116.29 15.40
6 -18 5 107.59 14.40
-5 17 -5 11.40 6.30
5 -17 5 8.00 5.40
-4 16 -5 31.80 9.20
4 -16 5 32.50 7.30
-3 15 -5 194.48 18.10
3 -15 5 194.48 16.90
-2 14 -5 140.79 14.20
-2 14 -5 151.58 8.80
2 -14 5 151.98 10.70
2 -14 5 164.08 14.50
-1 13 -5 157.28 15.30
-1 13 -5 164.48 9.50
1 -13 5 154.68 11.90
1 -13 5 171.78 13.80
0 12 -5 673.73 36.40
0 12 -5 705.63 30.70
0 -12 5 674.63 33.00
0 -12 5 596.84 31.80
1 11 -5 150.38 14.00
-1 -11 5 148.79 12.60
-1 -11 5 159.58 12.10
2 10 -5 757.92 37.90
-2 -10 5 695.23 35.90
-2 -10 5 798.72 34.30
3 9 -5 154.48 13.40
-3 -9 5 168.48 10.80
-3 -9 5 152.88 12.80
4 8 -5 3.20 2.50
-4 -8 5 1.70 1.30
-4 -8 5 2.70 2.00
5 7 -5 114.79 7.40
5 7 -5 118.59 10.00
-5 -7 5 109.19 7.30
-5 -7 5 100.69 10.10
-5 -7 5 121.09 8.10
6 6 -5 385.36 20.50
-6 -6 5 370.86 22.50
-6 -6 5 402.76 17.00
-6 -6 5 405.96 18.20
7 5 -5 521.55 24.40
-7 -5 5 524.65 20.20
-7 -5 5 479.65 27.00
-7 -5 5 503.45 21.40
8 4 -5 9.30 2.60
-8 -4 5 12.40 1.80
-8 -4 5 11.30 1.40
-8 -4 5 7.80 3.30
9 3 -5 10.60 2.90
-9 -3 5 11.00 4.00
10 2 -5 519.95 24.60
-10 -2 5 540.15 29.30
11 1 -5 3000.00 112.49
11 1 -5 3141.09 107.49
-11 -1 5 2791.12 117.39
-11 -1 5 3065.19 106.59
12 0 -5 2.10 1.50
12 0 -5 1.50 1.00
-12 0 5 -1.40 1.60
13 -1 -5 1.30 1.40
13 -1 -5 5.40 1.60
-13 1 5 1.50 1.10
-13 1 5 0.90 2.20
14 -2 -5 0.20 1.90
14 -2 -5 -0.10 1.30
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-14 2 5 1.20 1.20
15 -3 -5 -0.60 1.80
15 -3 -5 2.30 1.80
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16 -4 -5 67.69 6.70
16 -4 -5 70.89 9.10
-16 4 5 51.79 8.90
17 -5 -5 77.99 10.30
17 -5 -5 72.59 7.60
-17 5 5 67.89 10.30
18 -6 -5 2.30 4.10
18 -6 -5 7.90 3.40
-18 6 5 6.90 5.40
19 -7 -5 9.00 4.10
19 -7 -5 7.70 4.40
-19 7 5 16.70 6.30
20 -8 -5 41.10 8.40
20 -8 -5 29.70 8.50
-20 8 5 49.20 10.10
21 -9 -5 232.98 17.90
21 -9 -5 271.27 22.90
-5 19 -5 16.20 7.80
5 -19 5 17.30 7.00
-4 18 -5 68.99 10.80
4 -18 5 47.40 10.20
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3 -17 5 410.56 28.10
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2 -16 5 182.08 16.60
-1 15 -5 374.46 26.30
-1 15 -5 369.16 17.00
1 -15 5 320.47 22.80
1 -15 5 359.06 20.60
0 14 -5 393.46 26.20
0 -14 5 383.46 23.50
0 -14 5 357.06 22.20
1 13 -5 199.48 17.20
-1 -13 5 192.88 15.30
-1 -13 5 198.68 15.10
2 12 -5 25.00 6.50
-2 -12 5 26.00 6.60
-2 -12 5 30.50 5.70
3 11 -5 24.00 6.80
-3 -11 5 32.40 5.00
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4 10 -5 5.90 3.50
-4 -10 5 3.10 2.00
-4 -10 5 1.30 2.50
5 9 -5 302.47 19.30
-5 -9 5 272.57 20.20
-5 -9 5 314.87 15.90
6 8 -5 7.60 1.90
6 8 -5 5.10 2.80
-6 -8 5 6.80 2.10
-6 -8 5 2.80 1.40
-6 -8 5 5.50 3.50
7 7 -5 115.69 9.70
-7 -7 5 123.59 7.20
-7 -7 5 113.09 11.90
-7 -7 5 114.09 7.60
8 6 -5 1907.61 74.29
-8 -6 5 1955.90 69.79
-8 -6 5 1931.61 68.89
-8 -6 5 1750.72 79.19
9 5 -5 22.30 4.30
-9 -5 5 18.70 5.10
10 4 -5 222.38 13.20
-10 -4 5 186.78 16.30
11 3 -5 170.18 11.30
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14 0 -5 -0.60 1.10
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15 -1 -5 48.10 4.40
15 -1 -5 46.20 4.30
15 -1 -5 45.60 6.60
-15 1 5 41.40 8.90
-15 1 5 40.40 3.80
16 -2 -5 265.97 13.70
16 -2 -5 259.37 18.00
-16 2 5 234.08 20.30
17 -3 -5 90.59 7.40
17 -3 -5 97.59 10.80
-17 3 5 65.09 11.00
18 -4 -5 20.80 4.30
-18 4 5 18.80 5.80
19 -5 -5 5.40 3.00
19 -5 -5 0.10 3.40
-19 5 5 4.40 4.10
20 -6 -5 25.80 7.40
20 -6 -5 24.80 5.50
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21 -7 -5 20.10 6.80
21 -7 -5 20.90 5.20
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22 -8 -5 11.50 5.20
22 -8 -5 17.70 5.30
-3 19 -5 4.70 6.30
3 -19 5 5.30 5.00
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2 -18 5 13.00 5.80
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1 -17 5 158.08 15.00
1 -17 5 178.78 11.70
0 16 -5 14.60 5.50
0 -16 5 11.70 5.10
0 -16 5 8.40 4.00
1 15 -5 78.29 10.60
-1 -15 5 89.49 10.10
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2 14 -5 18.70 5.60
-2 -14 5 24.40 6.40
-2 -14 5 24.70 6.20
3 13 -5 333.97 23.30
-3 -13 5 312.57 22.70
-3 -13 5 346.67 20.40
4 12 -5 59.39 9.20
-4 -12 5 57.79 9.20
-4 -12 5 50.89 6.40
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7 9 -5 30.70 6.50
-7 -9 5 32.90 4.10
-7 -9 5 34.80 8.00
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8 8 -5 20.60 4.80
8 8 -5 23.00 3.00
-8 -8 5 20.80 3.10
-8 -8 5 27.20 3.20
-8 -8 5 18.40 5.70
9 7 -5 103.59 9.10
-9 -7 5 91.29 5.40
-9 -7 5 93.99 6.00
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11 5 -5 254.37 15.30
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-12 -4 5 -2.00 2.70
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14 2 -5 3.50 1.90
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17 -1 -5 -3.10 1.70
17 -1 -5 -2.50 1.80
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18 -2 -5 7.80 2.80
18 -2 -5 3.60 2.50
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19 -3 -5 94.39 11.30
19 -3 -5 99.69 7.80
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20 -4 -5 -0.10 2.80
20 -4 -5 2.70 2.70
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21 -5 -5 37.80 5.70
21 -5 -5 18.30 5.80
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22 -6 -5 18.20 6.20
-22 6 5 11.80 8.70
-1 19 -5 6.70 5.60
1 -19 5 0.40 3.60
0 18 -5 59.59 11.60
0 -18 5 66.69 10.00
1 17 -5 17.00 5.50
-1 -17 5 15.30 5.00
-1 -17 5 7.10 4.30
2 16 -5 13.90 5.20
-2 -16 5 18.40 6.00
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5 13 -5 6.40 3.20
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-6 -12 5 48.10 6.00
7 11 -5 14.10 4.90
-7 -11 5 12.60 5.80
-7 -11 5 16.60 4.00
8 10 -5 18.90 4.90
-8 -10 5 29.90 3.80
-8 -10 5 16.50 5.80
9 9 -5 119.89 7.50
9 9 -5 118.29 11.00
-9 -9 5 130.49 7.90
-9 -9 5 106.09 14.00
-9 -9 5 129.19 7.50
10 8 -5 1220.68 51.59
-10 -8 5 1239.28 45.00
-10 -8 5 1212.88 44.00
-10 -8 5 1042.40 57.89
11 7 -5 127.59 10.40
-11 -7 5 81.49 12.20
12 6 -5 291.57 18.00
-12 -6 5 326.87 25.40
13 5 -5 94.09 8.90
-13 -5 5 85.29 12.50
14 4 -5 88.99 8.70
-14 -4 5 78.29 12.20
15 3 -5 1.40 1.70
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19 -1 -5 2.90 3.40
19 -1 -5 3.10 1.50
-19 1 5 7.40 6.00
20 -2 -5 164.38 10.00
20 -2 -5 154.68 15.10
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21 -3 -5 30.30 3.90
21 -3 -5 14.40 5.90
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22 -4 -5 125.79 14.40
22 -4 -5 122.09 9.90
-22 4 5 108.89 14.90
23 -5 -5 7.50 6.10
0 20 -5 17.00 7.00
0 -20 5 7.00 4.10
1 19 -5 102.09 14.30
-1 -19 5 119.89 13.70
-1 -19 5 128.79 13.30
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-2 -18 5 20.60 5.60
-2 -18 5 12.40 5.30
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-3 -17 5 6.40 3.30
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4 16 -5 -1.20 3.20
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-4 -16 5 3.20 4.50
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-5 -15 5 292.27 18.80
-5 -15 5 275.77 23.70
6 14 -5 7.30 4.10
-6 -14 5 -0.50 2.00
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7 13 -5 127.09 14.20
-7 -13 5 127.29 15.80
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8 12 -5 7.50 3.90
-8 -12 5 8.10 4.70
-8 -12 5 3.80 2.30
9 11 -5 5.40 3.00
-9 -11 5 2.60 3.60
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10 10 -5 130.09 7.90
-10 -10 5 126.39 8.40
-10 -10 5 119.29 7.50
-10 -10 5 121.29 15.40
11 9 -5 232.38 16.30
-11 -9 5 204.08 21.00
-11 -9 5 227.58 10.90
12 8 -5 38.10 5.90
-12 -8 5 30.40 8.80
13 7 -5 53.79 6.90
-13 -7 5 46.20 11.60
14 6 -5 93.49 9.20
-14 -6 5 80.29 13.00
15 5 -5 1.50 1.80
-15 -5 5 1.80 4.30
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17 3 -5 67.29 8.50
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21 -1 -5 -4.80 2.40
22 -2 -5 30.60 7.10
23 -3 -5 64.89 12.40
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-3 -19 5 15.30 5.10
-3 -19 5 11.80 6.00
4 18 -5 6.00 4.70
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-11 -11 5 99.89 6.80
-11 -11 5 84.89 6.20
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12 10 -5 13.50 3.90
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13 9 -5 117.69 11.20
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14 8 -5 271.07 18.20
-14 -8 5 269.67 25.40
15 7 -5 64.39 7.80
-15 -7 5 40.50 10.90
16 6 -5 477.75 26.80
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23 -1 -5 5.30 3.60
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7 17 -5 6.80 4.70
-7 -17 5 6.90 5.30
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-8 -16 5 -6.70 4.30
9 15 -5 59.59 12.40
-9 -15 5 70.39 15.60
-9 -15 5 53.39 7.00
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14 10 -5 1.00 2.20
-14 -10 5 -4.30 3.90
15 9 -5 2.40 2.30
-15 -9 5 3.50 4.50
16 8 -5 491.95 27.30
-16 -8 5 434.16 35.90
17 7 -5 186.38 14.90
-17 -7 5 165.98 21.40
18 6 -5 5.20 3.20
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19 5 -5 1.50 2.60
-19 -5 5 9.00 6.40
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-7 -19 5 15.00 9.10
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-8 -18 5 53.29 9.10
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-9 -17 5 40.70 11.00
-9 -17 5 39.60 5.80
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-10 -16 5 20.70 8.40
11 15 -5 4.30 5.20
-11 -15 5 -4.50 4.90
-11 -15 5 11.50 3.20
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-12 -14 5 25.80 4.50
-12 -14 5 30.70 11.30
13 13 -5 5.30 4.90
-13 -13 5 7.30 5.80
14 12 -5 18.20 5.90
-14 -12 5 5.90 6.20
15 11 -5 78.29 9.90
-15 -11 5 65.89 15.90
16 10 -5 296.27 20.90
-16 -10 5 291.47 29.70
17 9 -5 119.99 11.90
-17 -9 5 84.39 18.20
18 8 -5 124.09 12.70
-18 -8 5 119.99 18.70
19 7 -5 9.80 4.00
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-8 -8 6 225.68 12.70
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0 -14 7 129.69 11.50
1 13 -7 71.29 10.40
-1 -13 7 73.49 9.10
-1 -13 7 55.29 7.90
2 12 -7 1457.95 65.39
-2 -12 7 1306.67 61.39
-2 -12 7 1452.95 59.59
3 11 -7 207.48 17.70
-3 -11 7 179.48 15.40
-3 -11 7 206.08 13.80
4 10 -7 424.86 26.20
-4 -10 7 358.76 23.70
-4 -10 7 409.96 20.80
5 9 -7 637.14 34.30
-5 -9 7 636.64 33.50
-5 -9 7 628.14 28.30
6 8 -7 75.89 9.10
-6 -8 7 84.59 6.50
-6 -8 7 65.19 8.80
7 7 -7 95.79 9.40
-7 -7 7 93.79 8.20
-7 -7 7 92.19 10.20
-7 -7 7 82.49 6.10
8 6 -7 5.30 2.50
-8 -6 7 8.80 2.40
-8 -6 7 6.50 1.70
-8 -6 7 3.20 2.30
9 5 -7 158.28 11.70
-9 -5 7 149.59 9.00
-9 -5 7 148.39 7.60
-9 -5 7 156.38 13.50
10 4 -7 396.86 21.30
10 4 -7 428.16 16.90
-10 -4 7 391.96 24.50
-10 -4 7 423.66 17.30
-10 -4 7 403.66 16.50
11 3 -7 96.79 8.40
11 3 -7 88.19 5.20
-11 -3 7 98.69 10.80
-11 -3 7 87.99 4.90
12 2 -7 175.98 8.80
12 2 -7 175.78 12.20
-12 -2 7 177.08 8.20
-12 -2 7 161.08 14.70
13 1 -7 1353.36 58.09
13 1 -7 1549.45 53.99
-13 -1 7 1408.36 52.39
-13 -1 7 1372.76 63.69
14 0 -7 11.50 3.30
-14 0 7 15.50 5.30
-14 0 7 10.80 2.10
15 -1 -7 1163.08 47.20
15 -1 -7 961.10 40.80
-15 1 7 1124.49 40.00
-15 1 7 855.31 49.00
16 -2 -7 644.74 27.50
16 -2 -7 642.74 32.20
-16 2 7 553.44 34.90
17 -3 -7 98.89 8.00
17 -3 -7 90.49 10.20
-17 3 7 72.89 11.20
18 -4 -7 63.69 6.90
18 -4 -7 59.99 8.80
-18 4 7 60.59 9.80
19 -5 -7 6.00 3.50
19 -5 -7 5.90 3.10
-19 5 7 9.10 5.70
20 -6 -7 59.39 7.50
20 -6 -7 36.60 8.50
-20 6 7 38.00 9.40
21 -7 -7 5.40 4.00
21 -7 -7 5.60 3.50
-21 7 7 19.10 6.20
22 -8 -7 22.70 5.40
22 -8 -7 23.30 6.60
-22 8 7 18.40 7.90
-2 18 -7 470.25 32.60
2 -18 7 406.46 29.00
-1 17 -7 12.50 6.70
1 -17 7 1.10 4.40
0 16 -7 41.60 8.20
0 -16 7 35.60 7.40
0 -16 7 28.80 7.60
1 15 -7 4.50 3.80
-1 -15 7 1.80 3.30
-1 -15 7 -1.70 2.60
2 14 -7 2.90 3.80
-2 -14 7 6.00 3.90
-2 -14 7 8.40 3.90
3 13 -7 157.08 16.00
-3 -13 7 163.08 15.40
-3 -13 7 160.68 12.90
4 12 -7 1456.75 64.69
-4 -12 7 1306.17 62.49
-4 -12 7 1350.36 57.19
5 11 -7 64.89 10.00
-5 -11 7 52.59 8.70
-5 -11 7 57.89 6.60
6 10 -7 827.72 41.30
-6 -10 7 738.83 41.00
-6 -10 7 821.12 34.80
7 9 -7 24.40 6.50
-7 -9 7 30.50 4.10
-7 -9 7 23.50 6.70
8 8 -7 264.77 18.10
-8 -8 7 288.17 16.10
-8 -8 7 285.97 13.90
-8 -8 7 233.58 19.50
9 7 -7 86.69 9.10
-9 -7 7 79.69 6.60
-9 -7 7 82.59 5.60
-9 -7 7 74.89 10.20
10 6 -7 123.19 10.50
-10 -6 7 112.39 7.10
-10 -6 7 100.49 11.80
-10 -6 7 115.29 6.30
11 5 -7 63.69 7.20
-11 -5 7 59.69 8.80
12 4 -7 545.15 27.10
-12 -4 7 524.95 32.00
13 3 -7 71.09 7.50
-13 -3 7 61.89 9.90
14 2 -7 9.10 3.00
-14 -2 7 5.80 4.10
15 1 -7 1099.19 47.00
-15 -1 7 997.00 52.89
16 0 -7 3.70 1.70
16 0 -7 4.90 2.10
-16 0 7 2.80 3.80
-16 0 7 4.00 1.00
17 -1 -7 70.79 8.70
17 -1 -7 56.79 5.40
-17 1 7 48.40 10.80
-17 1 7 69.69 4.60
18 -2 -7 4.10 2.40
18 -2 -7 0.40 1.70
-18 2 7 3.90 4.20
19 -3 -7 4.50 2.40
-19 3 7 5.40 5.30
20 -4 -7 31.40 5.50
20 -4 -7 26.40 6.90
21 -5 -7 6.40 3.30
21 -5 -7 3.80 3.70
-21 5 7 -3.60 5.90
22 -6 -7 87.99 13.00
22 -6 -7 110.69 10.30
-22 6 7 113.89 16.40
-1 19 -7 4.40 6.00
1 -19 7 3.90 4.40
0 18 -7 0.70 4.20
0 -18 7 -2.90 3.10
1 17 -7 259.87 22.20
-1 -17 7 267.77 19.50
-1 -17 7 263.27 19.90
2 16 -7 69.49 11.00
-2 -16 7 57.59 9.90
-2 -16 7 68.09 10.00
3 15 -7 9.50 4.70
-3 -15 7 2.80 4.00
-3 -15 7 2.30 3.10
4 14 -7 -2.60 3.10
-4 -14 7 2.00 2.70
-4 -14 7 3.70 4.20
5 13 -7 103.59 13.30
-5 -13 7 94.59 9.80
-5 -13 7 91.79 12.40
6 12 -7 14.80 5.60
-6 -12 7 17.60 6.40
-6 -12 7 16.00 4.10
7 11 -7 17.10 5.90
-7 -11 7 20.20 4.10
-7 -11 7 11.30 5.50
8 10 -7 131.59 13.10
-8 -10 7 122.39 8.70
9 9 -7 389.06 23.40
-9 -9 7 334.27 25.70
-9 -9 7 361.06 17.50
-9 -9 7 402.76 20.70
10 8 -7 5.60 2.60
-10 -8 7 2.10 2.00
-10 -8 7 11.90 2.20
-10 -8 7 2.90 3.60
11 7 -7 199.58 14.60
-11 -7 7 183.98 8.90
-11 -7 7 203.38 9.70
-11 -7 7 169.18 17.40
12 6 -7 29.20 6.10
-12 -6 7 21.40 6.90
13 5 -7 192.18 13.60
-13 -5 7 158.48 17.10
14 4 -7 184.38 13.50
-14 -4 7 167.48 17.60
15 3 -7 1192.18 50.09
-15 -3 7 1058.69 57.29
16 2 -7 596.84 30.00
-16 -2 7 533.35 36.00
17 1 -7 66.49 8.20
-17 -1 7 40.00 10.00
18 0 -7 4.90 2.90
-18 0 7 1.30 3.30
19 -1 -7 13.60 2.60
19 -1 -7 8.20 4.00
-19 1 7 12.90 5.70
20 -2 -7 1.30 2.50
20 -2 -7 9.70 2.60
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21 -3 -7 6.80 4.20
21 -3 -7 13.60 2.80
-21 3 7 -2.50 5.40
22 -4 -7 38.50 5.50
22 -4 -7 22.10 6.70
-22 4 7 28.20 9.60
23 -5 -7 11.00 5.20
-23 5 7 -12.00 6.50
1 19 -7 30.60 7.90
-1 -19 7 29.70 7.60
2 18 -7 5.10 3.90
-2 -18 7 4.70 4.50
-2 -18 7 13.00 6.00
3 17 -7 49.70 11.30
-3 -17 7 38.50 7.90
-3 -17 7 54.49 9.40
4 16 -7 145.09 16.40
-4 -16 7 133.49 15.20
-4 -16 7 135.89 13.30
5 15 -7 212.98 20.10
-5 -15 7 208.58 19.70
-5 -15 7 205.18 15.60
6 14 -7 835.82 44.40
-6 -14 7 724.83 44.00
-6 -14 7 761.22 36.70
7 13 -7 267.27 21.50
-7 -13 7 245.38 22.20
-7 -13 7 236.88 15.60
8 12 -7 202.58 17.90
-8 -12 7 175.58 18.50
-8 -12 7 183.38 12.50
9 11 -7 68.79 9.90
-9 -11 7 77.39 12.10
-9 -11 7 60.59 6.40
10 10 -7 41.60 8.30
-10 -10 7 48.10 4.90
-10 -10 7 60.19 12.40
-10 -10 7 45.30 7.10
11 9 -7 4.60 2.90
-11 -9 7 1.80 1.60
-11 -9 7 -0.90 2.40
-11 -9 7 2.10 4.00
12 8 -7 1.00 1.90
-12 -8 7 1.70 2.90
13 7 -7 3.40 2.40
-13 -7 7 5.00 4.60
14 6 -7 174.58 13.60
-14 -6 7 148.59 17.30
15 5 -7 826.32 38.20
-15 -5 7 740.53 46.00
16 4 -7 0.90 2.30
-16 -4 7 1.20 3.00
17 3 -7 91.89 9.90
-17 -3 7 88.69 14.00
18 2 -7 2.40 2.00
-18 -2 7 -5.00 3.50
19 1 -7 9.20 3.90
-19 -1 7 14.60 7.00
20 0 -7 0.90 2.90
-20 0 7 -1.40 4.40
21 -1 -7 64.09 9.30
-21 1 7 63.99 11.10
22 -2 -7 -6.50 2.90
-22 2 7 -6.60 6.30
23 -3 -7 25.10 8.60
-23 3 7 33.60 10.70
3 19 -7 5.70 5.20
-3 -19 7 8.80 6.40
-3 -19 7 7.70 4.90
4 18 -7 111.09 14.40
-4 -18 7 95.09 11.20
-4 -18 7 123.99 15.30
5 17 -7 -1.20 4.30
-5 -17 7 0.90 3.40
-5 -17 7 2.60 4.90
6 16 -7 29.20 8.40
-6 -16 7 25.10 6.00
-6 -16 7 27.20 8.20
7 15 -7 37.20 9.90
-7 -15 7 52.19 12.40
-7 -15 7 38.80 7.20
8 14 -7 58.89 11.90
-8 -14 7 63.39 6.70
-8 -14 7 46.60 11.20
9 13 -7 54.29 10.80
-9 -13 7 60.59 6.50
-9 -13 7 57.99 13.50
10 12 -7 4.50 3.80
-10 -12 7 11.80 3.10
-10 -12 7 12.70 6.20
11 11 -7 13.20 5.10
-11 -11 7 24.50 4.80
-11 -11 7 21.40 3.70
-11 -11 7 21.00 7.50
12 10 -7 -2.10 2.10
-12 -10 7 0.80 2.40
-12 -10 7 3.80 3.90
-12 -10 7 6.20 1.80
13 9 -7 20.90 5.60
-13 -9 7 31.50 9.60
14 8 -7 700.73 34.80
-14 -8 7 595.54 41.60
15 7 -7 73.99 9.10
-15 -7 7 70.39 15.30
16 6 -7 1.90 2.60
-16 -6 7 -3.00 4.30
17 5 -7 154.38 13.20
-17 -5 7 106.29 16.60
18 4 -7 56.89 8.10
-18 -4 7 64.59 15.00
-19 -3 7 3.10 4.80
-20 -2 7 14.70 7.20
21 1 -7 64.99 9.30
-21 -1 7 64.89 14.80
22 0 -7 2.70 2.80
-22 0 7 -7.00 4.40
23 -1 -7 52.79 10.50
-23 1 7 81.89 12.30
5 19 -7 274.07 24.50
-5 -19 7 266.07 24.30
-5 -19 7 250.97 19.30
6 18 -7 3.80 5.00
-6 -18 7 5.80 6.50
-6 -18 7 -1.10 3.00
7 17 -7 14.20 6.90
-7 -17 7 30.80 9.70
-7 -17 7 14.10 3.80
8 16 -7 0.30 4.80
-8 -16 7 6.20 5.40
-8 -16 7 -0.70 2.80
9 15 -7 179.58 19.20
-9 -15 7 167.78 12.40
-9 -15 7 174.28 20.60
10 14 -7 54.19 11.50
-10 -14 7 43.50 6.10
-10 -14 7 65.99 15.00
11 13 -7 90.19 12.50
-11 -13 7 67.69 14.80
-11 -13 7 79.99 7.10
12 12 -7 5.20 4.10
-12 -12 7 6.20 1.80
-12 -12 7 -0.40 3.50
-12 -12 7 5.20 5.20
13 11 -7 2.50 3.90
-13 -11 7 9.70 6.40
14 10 -7 5.90 2.70
-14 -10 7 -3.00 4.10
15 9 -7 0.80 2.60
-15 -9 7 -2.90 3.60
16 8 -7 245.88 17.40
-16 -8 7 183.18 22.20
17 7 -7 6.80 3.10
-17 -7 7 8.40 6.10
18 6 -7 50.89 8.10
-18 -6 7 37.20 11.30
19 5 -7 9.80 3.80
-19 -5 7 2.80 5.10
20 4 -7 23.00 6.40
-20 -4 7 14.70 8.20
21 3 -7 -2.80 2.70
-21 -3 7 -1.30 6.80
22 2 -7 4.00 3.10
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23 1 -7 41.30 9.30
-23 -1 7 60.49 14.40
7 19 -7 31.90 9.50
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8 18 -7 20.10 7.90
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-8 -18 7 14.50 9.00
9 17 -7 -1.40 4.80
-9 -17 7 1.50 3.10
-9 -17 7 15.50 8.60
10 16 -7 107.29 15.20
-10 -16 7 113.89 9.60
-10 -16 7 82.59 17.20
11 15 -7 -1.50 4.50
-11 -15 7 9.60 3.70
-11 -15 7 7.20 6.20
12 14 -7 36.60 9.30
-12 -14 7 21.20 9.10
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13 13 -7 37.30 9.50
-13 -13 7 45.10 4.30
-13 -13 7 36.20 11.90
14 12 -7 31.70 7.80
-14 -12 7 26.60 9.30
15 11 -7 159.98 15.80
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16 10 -7 16.00 5.80
-16 -10 7 18.30 9.20
17 9 -7 246.88 18.90
-17 -9 7 205.78 24.40
18 8 -7 123.49 12.80
-18 -8 7 158.88 20.00
19 7 -7 11.30 4.50
-19 -7 7 15.10 7.90
20 6 -7 52.79 9.90
-20 -6 7 28.40 9.70
21 5 -7 0.80 2.30
-21 -5 7 1.80 6.50
22 4 -7 32.10 7.30
-22 -4 7 42.90 10.30
23 3 -7 26.60 7.20
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10 18 -7 2.90 6.20
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-10 -18 7 3.20 4.20
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-11 -17 7 -5.20 3.20
-11 -17 7 2.50 7.00
12 16 -7 30.00 9.70
-12 -16 7 33.20 5.70
-12 -16 7 29.70 11.60
13 15 -7 -2.20 4.70
-13 -15 7 0.00 3.10
-13 -15 7 -9.50 5.40
14 14 -7 27.90 8.00
-14 -14 7 29.00 9.60
15 13 -7 5.80 4.60
-15 -13 7 6.50 5.70
16 12 -7 -0.40 3.40
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17 11 -7 12.20 5.10
-17 -11 7 9.10 6.50
18 10 -7 -5.90 2.50
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19 9 -7 46.00 9.60
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20 8 -7 20.90 4.30
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21 7 -7 2.40 4.10
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23 5 -7 6.80 4.00
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13 17 -7 2.80 6.40
-13 -17 7 9.20 6.40
14 16 -7 41.80 10.90
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16 14 -7 10.70 7.40
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14 8 8 5.10 6.80
14 8 8 -1.70 3.00
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13 9 8 3.60 5.50
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-12 -10 -8 122.29 14.70
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-11 -11 -8 -2.20 6.40
-11 -11 -8 -7.30 4.20
11 11 8 0.30 6.40
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10 12 8 14.50 7.00
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9 13 8 9.00 8.50
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-8 -14 -8 15.50 5.60
8 14 8 -0.20 6.50
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-7 -15 -8 6.50 7.30
7 15 8 -4.30 4.30
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6 16 8 53.09 12.60
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5 17 8 88.39 17.10
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-15 -5 -8 84.09 12.50
15 5 8 62.79 14.40
15 5 8 80.19 9.30
15 5 8 70.49 9.40
-14 -6 -8 82.19 17.70
-14 -6 -8 78.99 11.00
14 6 8 69.69 7.80
14 6 8 60.49 12.70
14 6 8 76.19 9.90
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-13 -7 -8 40.20 8.30
13 7 8 34.70 12.20
-12 -8 -8 -5.20 4.60
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12 8 8 3.50 2.30
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-11 -9 -8 33.50 7.10
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11 9 8 28.40 9.80
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-10 -10 -8 -2.30 3.40
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10 10 8 -6.90 4.50
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-9 -11 -8 61.29 8.40
9 11 8 54.59 13.80
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-8 -12 -8 61.19 16.40
8 12 8 44.70 12.20
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-7 -13 -8 7.80 6.90
7 13 8 -0.10 4.30
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-5 -15 -8 37.50 12.70
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-4 -16 -8 6.60 6.70
4 16 8 -4.20 5.10
3 17 8 3.80 6.50
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2 18 8 136.19 16.30
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-16 -2 -8 -6.70 8.60
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16 2 8 14.20 7.60
16 2 8 10.30 4.50
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-15 -3 -8 40.20 7.80
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15 3 8 31.10 6.40
15 3 8 26.70 10.20
-14 -4 -8 15.00 11.30
-14 -4 -8 30.10 4.60
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14 4 8 14.80 7.30
14 4 8 19.10 5.40
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13 5 8 2.00 2.50
13 5 8 -2.70 2.30
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-12 -6 -8 31.20 12.30
12 6 8 28.10 4.70
12 6 8 11.90 6.40
-11 -7 -8 207.28 17.50
-11 -7 -8 251.97 27.60
11 7 8 217.28 22.30
11 7 8 197.48 12.40
-10 -8 -8 33.20 11.90
-10 -8 -8 30.50 7.60
10 8 8 15.60 7.80
10 8 8 23.10 3.90
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-9 -9 -8 18.80 7.00
9 9 8 19.70 3.50
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-6 -12 -8 0.80 4.50
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4 14 8 20.30 8.90
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3 15 8 174.78 20.90
-2 -16 -8 5.10 4.30
2 16 8 -6.50 4.70
-1 -17 -8 138.89 15.90
1 17 8 124.19 17.20
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0 18 8 102.49 12.60
1 -19 -8 -7.50 4.90
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16 0 8 4.50 3.40
16 0 8 1.50 6.50
16 0 8 6.70 3.90
-15 -1 -8 2.30 7.00
-15 -1 -8 0.30 3.60
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15 1 8 -2.80 4.90
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-14 -2 -8 -2.60 3.60
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14 2 8 1.40 5.30
14 2 8 1.40 2.20
14 2 8 5.20 3.20
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-13 -3 -8 78.99 9.70
13 3 8 80.39 9.40
13 3 8 90.79 9.40
13 3 8 64.49 13.10
-12 -4 -8 27.00 6.70
-12 -4 -8 36.80 12.30
12 4 8 47.80 6.40
12 4 8 36.40 6.90
12 4 8 25.90 8.70
-11 -5 -8 0.60 5.70
-11 -5 -8 -3.90 3.40
11 5 8 4.70 2.60
11 5 8 0.90 4.40
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10 6 8 59.99 6.10
-9 -7 -8 109.99 12.70
-9 -7 -8 127.69 18.80
9 7 8 111.99 7.80
9 7 8 120.59 16.10
-8 -8 -8 14.40 5.40
-8 -8 -8 10.40 7.30
8 8 8 13.10 8.00
8 8 8 18.60 2.80
-7 -9 -8 58.89 10.80
-7 -9 -8 72.79 16.30
7 9 8 74.49 15.20
-6 -10 -8 35.80 7.70
-6 -10 -8 34.60 11.50
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15 -11 -9 2.50 2.60
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16 -12 -9 35.40 6.50
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17 -13 -9 97.99 10.70
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1 5 -9 1.60 2.10
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3 3 -9 21.80 5.00
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4 2 -9 117.19 9.90
-4 -2 9 121.29 8.90
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5 1 -9 188.68 13.90
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11 -5 -9 7.90 3.10
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14 -8 -9 39.80 7.60
14 -8 -9 31.20 6.50
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16 -10 -9 -0.40 3.10
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18 -12 -9 11.00 5.40
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1 -9 9 44.30 6.40
1 -9 9 44.20 5.30
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0 -8 9 61.29 6.00
1 7 -9 68.79 7.40
1 7 -9 41.40 8.10
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3 5 -9 7.70 3.80
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4 4 -9 783.52 37.40
4 4 -9 767.32 35.60
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5 3 -9 11.20 3.70
5 3 -9 8.40 2.90
-5 -3 9 6.60 2.10
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7 1 -9 9.60 3.10
-7 -1 9 9.40 2.80
8 0 -9 0.10 1.70
8 0 -9 0.20 1.20
-8 0 9 -0.50 1.20
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9 -1 -9 157.38 10.50
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10 -2 -9 2.70 2.00
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11 -3 -9 6.60 3.10
11 -3 -9 4.80 2.00
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12 -4 -9 7.30 2.70
12 -4 -9 7.20 2.80
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13 -5 -9 206.68 14.70
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14 -6 -9 109.29 10.40
14 -6 -9 109.09 9.80
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15 -7 -9 40.00 7.40
15 -7 -9 48.70 7.10
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16 -8 -9 67.79 8.80
16 -8 -9 80.09 9.10
-16 8 9 67.89 8.10
17 -9 -9 -5.80 2.60
17 -9 -9 2.10 3.40
-17 9 9 6.30 4.00
18 -10 -9 73.99 10.40
18 -10 -9 55.19 10.30
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19 -11 -9 -1.50 4.50
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5 -15 9 -0.40 3.80
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3 -13 9 4.60 2.90
3 -13 9 6.40 3.50
-2 12 -9 45.30 9.90
2 -12 9 36.90 7.70
2 -12 9 51.09 6.20
-1 11 -9 29.70 7.50
1 -11 9 16.90 4.80
1 -11 9 27.80 4.60
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0 -10 9 14.90 4.10
1 9 -9 169.98 16.20
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-1 -9 9 203.98 13.00
2 8 -9 421.46 26.30
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3 7 -9 156.78 11.40
3 7 -9 163.68 14.90
-3 -7 9 177.88 11.60
-3 -7 9 170.58 11.60
4 6 -9 1358.96 55.69
4 6 -9 1383.36 60.39
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5 5 -9 294.17 19.00
5 5 -9 291.37 16.70
-5 -5 9 295.07 15.90
-5 -5 9 269.17 16.00
6 4 -9 8.40 2.70
6 4 -9 12.90 3.80
-6 -4 9 9.90 3.10
7 3 -9 708.63 31.90
7 3 -9 689.63 32.40
-7 -3 9 675.23 31.30
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8 2 -9 197.48 13.00
-8 -2 9 196.58 12.90
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9 1 -9 165.68 11.60
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10 0 -9 -0.90 1.30
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11 -1 -9 14.20 3.50
11 -1 -9 21.50 4.50
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12 -2 -9 143.49 10.70
12 -2 -9 123.69 9.80
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13 -3 -9 178.18 12.80
13 -3 -9 194.08 13.20
-13 3 9 190.88 14.10
14 -4 -9 8.40 3.60
14 -4 -9 9.90 3.40
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15 -5 -9 304.87 19.20
15 -5 -9 302.97 18.50
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16 -6 -9 134.99 12.00
16 -6 -9 147.89 12.70
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17 -7 -9 30.00 6.20
17 -7 -9 26.10 6.60
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18 -8 -9 13.40 4.50
18 -8 -9 12.00 5.40
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19 -9 -9 51.59 9.50
19 -9 -9 82.49 9.90
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20 -10 -9 108.29 12.40
20 -10 -9 100.49 12.60
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4 -16 9 23.50 6.70
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3 -15 9 3.50 4.60
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2 -14 9 26.90 5.80
2 -14 9 26.30 5.70
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1 -13 9 2.80 3.00
1 -13 9 -0.60 2.60
0 12 -9 1.30 2.70
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0 -12 9 -1.20 2.60
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3 9 -9 1711.83 74.89
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4 8 -9 169.48 15.80
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5 7 -9 27.80 7.20
5 7 -9 20.50 4.00
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6 6 -9 457.15 22.10
6 6 -9 457.95 26.00
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7 5 -9 25.40 5.60
7 5 -9 22.30 4.30
-7 -5 9 20.40 4.70
-7 -5 9 17.50 3.60
8 4 -9 82.59 8.40
8 4 -9 78.19 7.00
-8 -4 9 86.79 8.40
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9 3 -9 41.30 5.00
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10 2 -9 4.80 2.30
10 2 -9 3.70 1.60
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11 1 -9 12.10 3.20
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13 -1 -9 11.70 3.30
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14 -2 -9 9.00 2.70
14 -2 -9 8.60 3.00
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15 -3 -9 18.10 4.50
15 -3 -9 19.70 4.30
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16 -4 -9 14.20 3.70
16 -4 -9 12.20 4.50
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17 -5 -9 339.07 21.30
17 -5 -9 321.57 18.80
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18 -6 -9 75.49 9.90
18 -6 -9 77.89 9.00
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19 -7 -9 44.20 7.90
19 -7 -9 34.20 8.40
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20 -8 -9 92.29 11.60
20 -8 -9 102.89 11.00
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21 -9 -9 -1.30 4.00
21 -9 -9 4.40 4.20
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3 -17 9 5.70 3.90
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2 -16 9 -0.30 3.40
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1 -15 9 95.99 9.30
0 -14 9 26.80 6.90
0 -14 9 24.10 5.80
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5 9 -9 342.47 23.70
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6 8 -9 655.83 35.10
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7 7 -9 9.30 4.20
-7 -7 9 7.80 3.60
-7 -7 9 10.10 2.60
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8 6 -9 256.97 17.60
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9 5 -9 314.37 15.90
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15 -1 -9 2.90 1.90
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17 -3 -9 46.50 7.00
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21 -7 -9 48.10 9.50
22 -8 -9 10.10 4.00
22 -8 -9 3.90 4.10
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0 -16 9 9.50 4.30
1 15 -9 18.10 5.70
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-8 -8 9 -1.10 2.20
-8 -8 9 -0.20 1.20
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11 5 -9 4.50 1.70
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19 -3 -9 206.28 13.20
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21 -5 -9 19.80 5.30
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-7 -11 9 3.40 2.60
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-13 -5 9 179.08 8.30
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14 4 -9 8.50 3.40
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19 -1 -9 460.35 26.70
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20 -2 -9 63.09 6.40
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21 -3 -9 118.59 9.10
21 -3 -9 103.19 12.10
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22 -4 -9 -4.80 3.30
22 -4 -9 7.10 4.30
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23 -5 -9 24.90 7.50
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-5 -15 9 40.80 8.30
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-6 -14 9 21.10 5.10
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-7 -13 9 505.25 25.90
-7 -13 9 464.45 32.60
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-8 -12 9 59.59 6.50
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22 -2 -9 4.50 4.30
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23 -3 -9 4.50 4.90
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-4 -18 9 18.80 4.90
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-5 -17 9 286.97 19.20
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-7 -15 9 34.00 6.20
-7 -15 9 28.00 8.90
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-9 -13 9 81.19 13.40
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-11 -11 9 -1.20 2.90
-11 -11 9 8.00 2.80
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-12 -10 9 42.90 4.70
-12 -10 9 54.69 6.60
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0 -6 16 -3.40 2.60
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14 -8 -17 1.30 5.10
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9 -1 -17 2.90 4.30
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10 -2 -17 347.17 23.60
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11 -3 -17 494.55 29.20
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12 -4 -17 2.40 4.90
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15 -7 -17 12.00 6.60
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15 -5 -17 22.80 5.80
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-3 -9 17 17.50 5.30
-3 -9 17 20.00 6.30
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4 8 -17 7.00 4.70
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-4 -8 17 10.40 4.80
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-5 -7 17 20.40 5.50
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-7 -5 17 5.00 4.20
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-11 -1 17 -2.60 2.70
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15 -3 -17 25.20 7.10
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-7 -7 17 12.90 5.60
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9 5 -17 383.16 28.70
-9 -5 17 335.97 22.70
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10 4 -17 94.49 14.80
-10 -4 17 108.29 11.90
-10 -4 17 115.69 13.00
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-11 -3 17 523.45 31.40
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16 -2 -17 4.80 3.70
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9 7 -17 6.10 6.90
-9 -7 17 3.80 3.60
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13 5 -17 14.30 6.10
-13 -5 17 15.30 5.90
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-11 -9 17 14.30 5.60
-11 -9 17 5.30 4.20
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-13 -9 17 6.30 3.50
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5 -7 -18 69.59 15.90
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1 -1 -18 4.90 5.50
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7 -7 -18 20.10 8.60
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8 -8 -18 33.60 8.30
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1 1 -18 14.40 5.60
1 1 -18 14.20 5.70
-1 -1 18 2.90 4.20
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4 -2 -18 1.20 4.30
4 -2 -18 -1.80 5.90
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9 -7 -18 34.20 10.20
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13 5 -18 97.69 15.50
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14 4 -18 44.90 8.00
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-14 -4 18 30.40 8.30
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15 3 -18 118.79 12.60
-15 -3 18 112.39 14.80
16 2 -18 6.70 6.60
16 2 -18 20.00 5.90
-16 -2 18 8.90 5.50
17 1 -18 1.30 5.50
17 1 -18 7.30 4.70
-17 -1 18 -0.80 4.70
13 7 -18 -4.40 6.50
13 7 -18 16.30 5.00
-13 -7 18 14.80 6.20
-13 -7 18 12.10 3.50
14 6 -18 94.99 10.70
14 6 -18 92.49 17.30
-14 -6 18 125.59 15.50
-14 -6 18 111.99 10.00
15 5 -18 184.68 15.00
15 5 -18 162.08 19.90
-15 -5 18 167.68 13.20
-15 -5 18 200.38 20.00
16 4 -18 205.88 16.40
16 4 -18 204.98 21.30
-16 -4 18 205.38 14.50
-16 -4 18 215.58 21.60
5 -3 -19 0.40 6.20
-5 3 19 7.40 4.60
6 -4 -19 3.70 5.60
-6 4 19 8.30 4.40
4 0 -19 -1.30 5.10
4 0 -19 0.40 5.40
5 -1 -19 70.09 14.30
5 -1 -19 71.89 11.40
-5 1 19 80.89 11.00
6 -2 -19 14.90 7.50
-6 2 19 17.00 5.70
7 -3 -19 52.09 12.40
-7 3 19 44.50 9.60
8 -4 -19 14.70 6.40
-8 4 19 19.10 6.40
9 -5 -19 0.60 4.30
-9 5 19 -1.30 3.90
5 1 -19 114.09 11.00
5 1 -19 92.29 13.90
-5 -1 19 102.69 12.20
6 0 -19 7.00 4.50
6 0 -19 4.10 4.30
-6 0 19 7.70 2.90
7 -1 -19 12.00 4.60
7 -1 -19 4.70 4.00
8 -2 -19 1.30 4.70
-8 2 19 9.00 4.70
9 -3 -19 32.60 9.10
9 -3 -19 18.80 9.90
-9 3 19 26.70 6.60
10 -4 -19 10.90 5.20
-10 4 19 -2.80 3.40
5 3 -19 11.50 4.10
5 3 -19 7.90 5.40
-5 -3 19 1.00 3.70
6 2 -19 24.10 7.50
6 2 -19 21.70 6.90
-6 -2 19 18.90 5.90
7 1 -19 1.90 5.30
7 1 -19 0.40 5.10
-7 -1 19 6.90 4.70
8 0 -19 9.80 5.30
8 0 -19 22.50 5.80
9 -1 -19 -7.60 5.30
9 -1 -19 11.10 6.30
-9 1 19 8.40 4.90
10 -2 -19 14.20 6.80
10 -2 -19 31.20 9.00
-10 2 19 26.70 7.70
11 -3 -19 -7.90 5.20
11 -3 -19 -7.50 5.30
-11 3 19 5.60 3.70
12 -4 -19 77.49 11.80
12 -4 -19 92.49 13.80
-12 4 19 81.49 12.00
6 4 -19 5.90 6.40
-6 -4 19 7.10 2.90
-6 -4 19 0.60 3.50
7 3 -19 44.80 9.80
7 3 -19 30.10 9.70
-7 -3 19 30.50 7.60
-7 -3 19 34.70 7.50
8 2 -19 -1.40 5.70
8 2 -19 -4.00 4.50
-8 -2 19 -1.10 4.00
9 1 -19 10.30 6.00
9 1 -19 28.40 5.80
-9 -1 19 3.20 4.00
10 0 -19 -10.80 5.50
10 0 -19 -8.20 4.60
-10 0 19 1.60 4.10
11 -1 -19 1.00 4.40
11 -1 -19 3.50 5.40
-11 1 19 6.70 4.40
12 -2 -19 6.10 6.40
12 -2 -19 -8.70 4.80
-12 2 19 0.50 4.10
13 -3 -19 4.30 7.40
13 -3 -19 13.00 5.60
-13 3 19 15.20 5.00
8 4 -19 34.30 8.30
8 4 -19 18.00 5.80
-8 -4 19 20.70 4.80
-8 -4 19 13.10 5.80
9 3 -19 38.30 10.10
9 3 -19 47.40 10.50
-9 -3 19 53.09 8.40
10 2 -19 14.20 6.80
10 2 -19 24.70 9.50
-10 -2 19 30.20 7.70
11 1 -19 -0.90 4.60
11 1 -19 -11.00 5.00
-11 -1 19 -3.80 3.40
12 0 -19 -10.60 6.00
12 0 -19 -8.50 4.00
-12 0 19 -0.40 3.10
13 -1 -19 -4.90 5.40
13 -1 -19 5.40 4.80
-13 1 19 13.50 5.50
14 -2 -19 248.38 22.10
-14 2 19 272.07 21.80
9 5 -19 0.80 4.60
9 5 -19 -8.70 5.20
-9 -5 19 -6.50 3.90
-9 -5 19 -5.40 3.50
10 4 -19 5.40 4.90
10 4 -19 4.10 5.50
-10 -4 19 -0.50 3.30
-10 -4 19 4.40 3.60
11 3 -19 9.90 4.70
-11 -3 19 5.80 3.80
12 2 -19 -0.40 4.10
12 2 -19 3.10 4.80
-12 -2 19 0.00 4.40
13 1 -19 -3.50 6.50
13 1 -19 3.50 6.00
-13 -1 19 -2.70 4.10
14 0 -19 11.30 5.60
14 0 -19 -4.30 5.10
-14 0 19 -3.30 4.60
12 4 -19 79.59 12.00
12 4 -19 98.29 16.20
-12 -4 19 98.99 12.50
-12 -4 19 69.09 10.00
13 3 -19 -10.70 6.00
13 3 -19 13.50 6.20
-13 -3 19 10.90 4.90
-14 -2 19 239.08 21.20
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 6239
_shelx_res_file
;
TITL X_1_a.res in C2/c
shelx.res
created by SHELXL-2018/3 at 07:50:53 on 12-Sep-2024
CELL 0.71073 17.9534 15.8109 14.6429 90 113.189 90
ZERR 8 0.0007 0.0007 0.0006 0 0.002 0
LATT 7
SYMM -X,+Y,0.5-Z
SFAC C H N O
UNIT 168 200 8 32
L.S. 10
PLAN 20
SIZE 0.17 0.21 0.23
OMIT 0 50
OMIT 0 2 0
FMAP 2
ACTA
BOND $H
TEMP 294
EQIV $4 -x+1/2,-y+1/2+1,-z
HTAB C16 O2_$4
EQIV $2 -x+1,+y,-z+1/2
HTAB C14 O3_$2
EQIV $3 -x+1/2,-y+1/2+1,-z
HTAB C2 O2_$3
EQIV $5 x,y,z
HTAB C14 O3_$5
EQIV $6 x,y,z
HTAB C14 O4_$6
CONF
LIST 4
MERG 2
OMIT 0 50
WGHT 0.046900 4.140200
FVAR 0.44025
O1 4 0.389578 0.859888 0.216473 11.00000 0.02573 0.01924 =
0.02268 0.00096 0.00684 -0.00102
O2 4 0.309442 0.849587 0.057976 11.00000 0.02828 0.02659 =
0.02494 0.00789 0.00281 0.00065
O3 4 0.426055 0.537787 0.108302 11.00000 0.02098 0.03041 =
0.03304 -0.00517 0.00905 -0.00121
O4 4 0.222700 0.554657 0.216394 11.00000 0.04517 0.05239 =
0.04675 -0.01757 0.03086 -0.00825
N1 3 0.325023 0.544494 0.163681 11.00000 0.02266 0.01737 =
0.01839 -0.00290 0.00534 -0.00052
C10 1 0.562837 0.719889 0.601605 11.00000 0.02413 0.03057 =
0.01703 -0.00368 0.00781 -0.00531
C3 1 0.344369 0.812079 0.135198 11.00000 0.01742 0.02511 =
0.02168 0.00031 0.00596 0.00001
C2 1 0.341944 0.721647 0.148905 11.00000 0.01908 0.02218 =
0.01957 -0.00212 0.00479 -0.00045
AFIX 43
H2 2 0.312072 0.688242 0.094492 11.00000 -1.20000
AFIX 0
C1 1 0.381260 0.684060 0.237370 11.00000 0.01722 0.02050 =
0.01932 -0.00194 0.00706 0.00077
C8 1 0.471210 0.704331 0.418723 11.00000 0.02087 0.02034 =
0.01964 -0.00228 0.00829 -0.00063
AFIX 43
H8 2 0.470639 0.646417 0.429532 11.00000 -1.20000
AFIX 0
C7 1 0.514443 0.756632 0.498046 11.00000 0.01879 0.02684 =
0.02005 -0.00372 0.01012 -0.00357
C6 1 0.515739 0.843111 0.479044 11.00000 0.02649 0.02788 =
0.02274 -0.00959 0.01108 -0.00944
AFIX 43
H6 2 0.545096 0.879191 0.530918 11.00000 -1.20000
AFIX 0
C5 1 0.474576 0.876542 0.385233 11.00000 0.02937 0.01946 =
0.02845 -0.00448 0.01386 -0.00547
AFIX 43
H5 2 0.476491 0.934270 0.374167 11.00000 -1.20000
AFIX 0
C4 1 0.430567 0.823106 0.308149 11.00000 0.01809 0.02197 =
0.01967 0.00012 0.00893 0.00043
C9 1 0.428294 0.736104 0.322645 11.00000 0.01649 0.02017 =
0.01916 -0.00274 0.00812 0.00055
C11 1 0.572778 0.784522 0.682339 11.00000 0.07805 0.05657 =
0.01997 -0.00560 0.00528 0.02060
AFIX 137
H11A 2 0.605448 0.830688 0.676721 11.00000 -1.50000
H11B 2 0.598680 0.758392 0.746323 11.00000 -1.50000
H11C 2 0.520489 0.805330 0.674996 11.00000 -1.50000
AFIX 0
C13 1 0.520540 0.643677 0.621659 11.00000 0.09562 0.08242 =
0.02324 0.01675 -0.00848 -0.05793
AFIX 137
H13A 2 0.465509 0.658110 0.609532 11.00000 -1.50000
H13B 2 0.548167 0.626427 0.689603 11.00000 -1.50000
H13C 2 0.521116 0.598151 0.578562 11.00000 -1.50000
AFIX 0
C12 1 0.645294 0.695482 0.606399 11.00000 0.04780 0.11881 =
0.03449 0.03388 0.02143 0.04507
AFIX 137
H12A 2 0.639723 0.652431 0.557906 11.00000 -1.50000
H12B 2 0.677532 0.674276 0.671500 11.00000 -1.50000
H12C 2 0.671242 0.744163 0.592851 11.00000 -1.50000
AFIX 0
C14 1 0.378778 0.589830 0.252175 11.00000 0.02758 0.02015 =
0.01621 -0.00155 0.00239 0.00030
AFIX 23
H14A 2 0.433176 0.567330 0.272170 11.00000 -1.20000
H14B 2 0.361162 0.579367 0.305851 11.00000 -1.20000
AFIX 0
C19 1 0.356375 0.520129 0.094264 11.00000 0.02171 0.01590 =
0.02215 0.00232 0.00671 0.00343
C18 1 0.300410 0.474770 0.002799 11.00000 0.02479 0.02239 =
0.01958 -0.00269 0.00746 0.00056
AFIX 23
H18A 2 0.332310 0.436947 -0.019585 11.00000 -1.20000
H18B 2 0.275426 0.516128 -0.049278 11.00000 -1.20000
AFIX 0
C17 1 0.233603 0.423602 0.016911 11.00000 0.02750 0.01905 =
0.01917 -0.00079 0.00390 -0.00420
C16 1 0.190561 0.483049 0.062467 11.00000 0.02225 0.02568 =
0.02781 0.00170 0.00859 -0.00489
AFIX 23
H16A 2 0.160169 0.524315 0.012729 11.00000 -1.20000
H16B 2 0.151960 0.450402 0.079227 11.00000 -1.20000
AFIX 0
C15 1 0.245230 0.529234 0.153435 11.00000 0.02875 0.02162 =
0.02808 -0.00008 0.01307 -0.00047
C21 1 0.173677 0.392177 -0.083956 11.00000 0.03814 0.03253 =
0.02508 -0.00308 0.00286 -0.01182
AFIX 137
H21A 2 0.150430 0.439691 -0.126479 11.00000 -1.50000
H21B 2 0.131474 0.360311 -0.075142 11.00000 -1.50000
H21C 2 0.201473 0.356785 -0.113621 11.00000 -1.50000
AFIX 0
C20 1 0.269661 0.348365 0.085998 11.00000 0.04814 0.01961 =
0.02695 -0.00074 0.00647 -0.00410
AFIX 137
H20A 2 0.297280 0.311900 0.057153 11.00000 -1.50000
H20B 2 0.227007 0.317498 0.095009 11.00000 -1.50000
H20C 2 0.307318 0.368498 0.149172 11.00000 -1.50000
AFIX 0
HKLF 4
REM X_1_a.res in C2/c
REM wR2 = 0.1110, GooF = S = 1.059, Restrained GooF = 1.059 for all data
REM R1 = 0.0431 for 2922 Fo > 4sig(Fo) and 0.0506 for all 3365 data
REM 240 parameters refined using 0 restraints
END
WGHT 0.0467 4.1482
REM Highest difference peak 0.258, deepest hole -0.323, 1-sigma level 0.041
Q1 1 0.5347 0.7468 0.6721 11.00000 0.05 0.26
Q2 1 0.5654 0.6190 0.6081 11.00000 0.05 0.25
Q3 1 0.5400 0.7383 0.5526 11.00000 0.05 0.22
Q4 1 0.5457 0.8357 0.6687 11.00000 0.05 0.21
Q5 1 0.4876 0.5999 0.5793 11.00000 0.05 0.20
Q6 1 0.2692 0.4454 0.0161 11.00000 0.05 0.20
Q7 1 0.3959 0.7054 0.2841 11.00000 0.05 0.19
Q8 1 0.4479 0.7777 0.3092 11.00000 0.05 0.18
Q9 1 0.2145 0.4540 0.0350 11.00000 0.05 0.18
Q10 1 0.3387 0.7080 0.1997 11.00000 0.05 0.18
Q11 1 0.4703 0.7193 0.3625 11.00000 0.05 0.17
Q12 1 0.4110 0.7785 0.3203 11.00000 0.05 0.17
Q13 1 0.6571 0.7451 0.6443 11.00000 0.05 0.17
Q14 1 0.3849 0.6980 0.1798 11.00000 0.05 0.17
Q15 1 0.6759 0.7099 0.5642 11.00000 0.05 0.17
Q16 1 0.4235 0.7228 0.3644 11.00000 0.05 0.17
Q17 1 0.5964 0.7047 0.6032 11.00000 0.05 0.15
Q18 1 0.5312 0.7890 0.4772 11.00000 0.05 0.15
Q19 1 0.4774 0.7336 0.4755 11.00000 0.05 0.14
Q20 1 0.2477 0.3863 0.0497 11.00000 0.05 0.14
;
_shelx_res_checksum 17302
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.38958(6) 0.85989(6) 0.21647(8) 0.0234(3) Uani d 1 . .
O O2 0.30944(7) 0.84959(7) 0.05798(8) 0.0290(3) Uani d 1 . .
O O3 0.42605(6) 0.53779(7) 0.10830(8) 0.0286(3) Uani d 1 . .
O O4 0.22270(8) 0.55466(9) 0.21639(10) 0.0441(4) Uani d 1 . .
N N1 0.32502(7) 0.54449(8) 0.16368(9) 0.0203(3) Uani d 1 . .
C C10 0.56284(9) 0.71989(10) 0.60161(11) 0.0240(3) Uani d 1 . .
C C3 0.34437(9) 0.81208(10) 0.13520(11) 0.0219(3) Uani d 1 . .
C C2 0.34194(9) 0.72165(9) 0.14891(11) 0.0212(3) Uani d 1 . .
H H2 0.312072 0.688242 0.094492 0.025 Uiso calc 1 . .
C C1 0.38126(8) 0.68406(9) 0.23737(11) 0.0191(3) Uani d 1 . .
C C8 0.47121(8) 0.70433(10) 0.41872(10) 0.0202(3) Uani d 1 . .
H H8 0.470639 0.646417 0.429532 0.024 Uiso calc 1 . .
C C7 0.51444(9) 0.75663(10) 0.49805(11) 0.0211(3) Uani d 1 . .
C C6 0.51574(9) 0.84311(10) 0.47904(11) 0.0253(4) Uani d 1 . .
H H6 0.545096 0.879191 0.530918 0.030 Uiso calc 1 . .
C C5 0.47458(9) 0.87654(10) 0.38523(12) 0.0250(3) Uani d 1 . .
H H5 0.476491 0.934270 0.374167 0.030 Uiso calc 1 . .
C C4 0.43057(8) 0.82311(9) 0.30815(11) 0.0194(3) Uani d 1 . .
C C9 0.42829(8) 0.73610(9) 0.32264(10) 0.0183(3) Uani d 1 . .
C C11 0.57278(15) 0.78452(14) 0.68234(14) 0.0559(6) Uani d 1 . .
H H11A 0.605448 0.830688 0.676721 0.084 Uiso calc 1 . .
H H11B 0.598680 0.758392 0.746323 0.084 Uiso calc 1 . .
H H11C 0.520489 0.805330 0.674996 0.084 Uiso calc 1 . .
C C13 0.52054(17) 0.64368(17) 0.62166(15) 0.0770(10) Uani d 1 . .
H H13A 0.465509 0.658110 0.609532 0.115 Uiso calc 1 . .
H H13B 0.548167 0.626427 0.689603 0.115 Uiso calc 1 . .
H H13C 0.521116 0.598151 0.578562 0.115 Uiso calc 1 . .
C C12 0.64529(13) 0.69548(19) 0.60640(15) 0.0654(8) Uani d 1 . .
H H12A 0.639723 0.652431 0.557906 0.098 Uiso calc 1 . .
H H12B 0.677532 0.674276 0.671500 0.098 Uiso calc 1 . .
H H12C 0.671242 0.744163 0.592851 0.098 Uiso calc 1 . .
C C14 0.37878(9) 0.58983(9) 0.25218(11) 0.0233(3) Uani d 1 . .
H H14A 0.433176 0.567330 0.272170 0.028 Uiso calc 1 . .
H H14B 0.361162 0.579367 0.305851 0.028 Uiso calc 1 . .
C C19 0.35637(9) 0.52013(9) 0.09426(11) 0.0205(3) Uani d 1 . .
C C18 0.30041(9) 0.47477(10) 0.00280(11) 0.0227(3) Uani d 1 . .
H H18A 0.332310 0.436947 -0.019585 0.027 Uiso calc 1 . .
H H18B 0.275426 0.516128 -0.049278 0.027 Uiso calc 1 . .
C C17 0.23360(9) 0.42360(9) 0.01691(11) 0.0236(3) Uani d 1 . .
C C16 0.19056(9) 0.48305(10) 0.06247(12) 0.0256(4) Uani d 1 . .
H H16A 0.160169 0.524315 0.012729 0.031 Uiso calc 1 . .
H H16B 0.151960 0.450402 0.079227 0.031 Uiso calc 1 . .
C C15 0.24523(10) 0.52923(10) 0.15344(12) 0.0256(4) Uani d 1 . .
C C21 0.17368(11) 0.39218(11) -0.08396(12) 0.0349(4) Uani d 1 . .
H H21A 0.150430 0.439691 -0.126479 0.052 Uiso calc 1 . .
H H21B 0.131474 0.360311 -0.075142 0.052 Uiso calc 1 . .
H H21C 0.201473 0.356785 -0.113621 0.052 Uiso calc 1 . .
C C20 0.26966(11) 0.34836(10) 0.08600(13) 0.0341(4) Uani d 1 . .
H H20A 0.297280 0.311900 0.057153 0.051 Uiso calc 1 . .
H H20B 0.227007 0.317498 0.095009 0.051 Uiso calc 1 . .
H H20C 0.307318 0.368498 0.149172 0.051 Uiso calc 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 0.0257(6) 0.0192(5) 0.0227(6) -0.0010(4) 0.0068(4) 0.0010(4)
O2 0.0283(6) 0.0266(6) 0.0249(6) 0.0007(5) 0.0028(5) 0.0079(5)
O3 0.0210(6) 0.0304(6) 0.0330(6) -0.0012(5) 0.0090(5) -0.0052(5)
O4 0.0452(8) 0.0524(8) 0.0468(8) -0.0083(6) 0.0309(7) -0.0176(7)
N1 0.0227(7) 0.0174(6) 0.0184(6) -0.0005(5) 0.0053(5) -0.0029(5)
C10 0.0241(8) 0.0306(9) 0.0170(7) -0.0053(6) 0.0078(6) -0.0037(6)
C3 0.0174(7) 0.0251(8) 0.0217(8) 0.0000(6) 0.0060(6) 0.0003(6)
C2 0.0191(7) 0.0222(8) 0.0196(7) -0.0004(6) 0.0048(6) -0.0021(6)
C1 0.0172(7) 0.0205(8) 0.0193(7) 0.0008(6) 0.0071(6) -0.0019(6)
C8 0.0209(7) 0.0203(7) 0.0196(8) -0.0006(6) 0.0083(6) -0.0023(6)
C7 0.0188(7) 0.0268(8) 0.0200(8) -0.0036(6) 0.0101(6) -0.0037(6)
C6 0.0265(8) 0.0279(8) 0.0227(8) -0.0094(7) 0.0111(6) -0.0096(7)
C5 0.0294(8) 0.0195(7) 0.0284(8) -0.0055(6) 0.0139(7) -0.0045(6)
C4 0.0181(7) 0.0220(8) 0.0197(7) 0.0004(6) 0.0089(6) 0.0001(6)
C9 0.0165(7) 0.0202(7) 0.0192(7) 0.0005(6) 0.0081(6) -0.0027(6)
C11 0.0780(16) 0.0566(14) 0.0200(9) 0.0206(12) 0.0053(9) -0.0056(9)
C13 0.0956(19) 0.0824(18) 0.0232(10) -0.0579(16) -0.0085(11) 0.0168(11)
C12 0.0478(12) 0.119(2) 0.0345(11) 0.0451(14) 0.0214(10) 0.0339(13)
C14 0.0276(8) 0.0202(8) 0.0162(7) 0.0003(6) 0.0024(6) -0.0016(6)
C19 0.0217(8) 0.0159(7) 0.0221(8) 0.0034(6) 0.0067(6) 0.0023(6)
C18 0.0248(8) 0.0224(8) 0.0196(8) 0.0006(6) 0.0075(6) -0.0027(6)
C17 0.0275(8) 0.0191(7) 0.0192(8) -0.0042(6) 0.0039(6) -0.0008(6)
C16 0.0223(8) 0.0257(8) 0.0278(8) -0.0049(6) 0.0086(7) 0.0017(7)
C15 0.0288(8) 0.0216(8) 0.0281(8) -0.0005(6) 0.0131(7) -0.0001(6)
C21 0.0381(10) 0.0325(9) 0.0251(9) -0.0118(8) 0.0029(7) -0.0031(7)
C20 0.0481(11) 0.0196(8) 0.0270(9) -0.0041(7) 0.0065(8) -0.0007(7)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C3 O1 C4 . . 121.19(12) ?
C19 N1 C15 . . 124.25(12) ?
C19 N1 C14 . . 117.76(12) ?
C15 N1 C14 . . 117.99(12) ?
C12 C10 C13 . . 110.3(2) ?
C12 C10 C11 . . 108.92(17) ?
C13 C10 C11 . . 107.38(18) ?
C12 C10 C7 . . 107.88(13) ?
C13 C10 C7 . . 111.17(13) ?
C11 C10 C7 . . 111.20(14) ?
O2 C3 O1 . . 116.87(14) ?
O2 C3 C2 . . 125.52(14) ?
O1 C3 C2 . . 117.62(13) ?
C1 C2 C3 . . 122.49(14) ?
C1 C2 H2 . . 118.8 ?
C3 C2 H2 . . 118.8 ?
C2 C1 C9 . . 118.92(14) ?
C2 C1 C14 . . 122.73(13) ?
C9 C1 C14 . . 118.35(12) ?
C7 C8 C9 . . 122.06(14) ?
C7 C8 H8 . . 119.0 ?
C9 C8 H8 . . 119.0 ?
C8 C7 C6 . . 117.65(14) ?
C8 C7 C10 . . 120.93(13) ?
C6 C7 C10 . . 121.33(13) ?
C5 C6 C7 . . 121.83(14) ?
C5 C6 H6 . . 119.1 ?
C7 C6 H6 . . 119.1 ?
C4 C5 C6 . . 119.18(14) ?
C4 C5 H5 . . 120.4 ?
C6 C5 H5 . . 120.4 ?
O1 C4 C5 . . 116.83(13) ?
O1 C4 C9 . . 121.83(13) ?
C5 C4 C9 . . 121.34(14) ?
C4 C9 C8 . . 117.90(13) ?
C4 C9 C1 . . 117.95(13) ?
C8 C9 C1 . . 124.15(13) ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C10 C13 H13A . . 109.5 ?
C10 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C10 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C10 C12 H12A . . 109.5 ?
C10 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C10 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N1 C14 C1 . . 113.77(12) ?
N1 C14 H14A . . 108.8 ?
C1 C14 H14A . . 108.8 ?
N1 C14 H14B . . 108.8 ?
C1 C14 H14B . . 108.8 ?
H14A C14 H14B . . 107.7 ?
O3 C19 N1 1 . 119.72(14) ?
O3 C19 N1 . . 119.72(14) ?
O3 C19 C18 1 . 122.81(14) ?
O3 C19 C18 . . 122.81(14) ?
N1 C19 C18 . . 117.44(13) ?
C19 C18 C17 . . 114.68(12) ?
C19 C18 H18A . . 108.6 ?
C17 C18 H18A . . 108.6 ?
C19 C18 H18B . . 108.6 ?
C17 C18 H18B . . 108.6 ?
H18A C18 H18B . . 107.6 ?
C18 C17 C16 . . 107.02(12) ?
C18 C17 C21 . . 109.46(13) ?
C16 C17 C21 . . 109.73(13) ?
C18 C17 C20 . . 110.55(13) ?
C16 C17 C20 . . 110.17(13) ?
C21 C17 C20 . . 109.87(13) ?
C15 C16 C17 . . 114.94(13) ?
C15 C16 H16A . . 108.5 ?
C17 C16 H16A . . 108.5 ?
C15 C16 H16B . . 108.5 ?
C17 C16 H16B . . 108.5 ?
H16A C16 H16B . . 107.5 ?
O4 C15 N1 1 . 119.66(15) ?
O4 C15 N1 . . 119.66(15) ?
O4 C15 C16 1 . 122.71(15) ?
O4 C15 C16 . . 122.71(15) ?
N1 C15 C16 . . 117.62(13) ?
C17 C21 H21A . . 109.5 ?
C17 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C17 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C17 C20 H20A . . 109.5 ?
C17 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C17 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C3 . 1.3732(18) ?
O1 C4 . 1.3798(17) ?
O2 C3 . 1.2104(18) ?
O3 C19 . 1.2176(18) ?
O4 C15 . 1.212(2) ?
N1 C19 . 1.396(2) ?
N1 C15 . 1.401(2) ?
N1 C14 . 1.4627(18) ?
C10 C12 . 1.505(2) ?
C10 C13 . 1.513(3) ?
C10 C11 . 1.519(2) ?
C10 C7 . 1.534(2) ?
C3 C2 . 1.447(2) ?
C2 C1 . 1.345(2) ?
C2 H2 . 0.9300 ?
C1 C9 . 1.456(2) ?
C1 C14 . 1.509(2) ?
C8 C7 . 1.388(2) ?
C8 C9 . 1.404(2) ?
C8 H8 . 0.9300 ?
C7 C6 . 1.397(2) ?
C6 C5 . 1.383(2) ?
C6 H6 . 0.9300 ?
C5 C4 . 1.382(2) ?
C5 H5 . 0.9300 ?
C4 C9 . 1.395(2) ?
C11 H11A . 0.9600 ?
C11 H11B . 0.9600 ?
C11 H11C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
C19 C18 . 1.503(2) ?
C18 C17 . 1.527(2) ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
C17 C16 . 1.527(2) ?
C17 C21 . 1.528(2) ?
C17 C20 . 1.530(2) ?
C16 C15 . 1.497(2) ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_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
C16 H16A O2 7_565 0.97 2.41 3.1800(19) 136.4 yes
C14 H14A O3 2_655 0.97 2.49 3.3898(18) 154.8 yes
C2 H2 O2 7_565 0.93 2.50 3.3687(18) 154.9 yes
C14 H14A O3 1 0.97 2.40 2.6915(19) 96.8 yes
C14 H14B O4 1 0.97 2.34 2.698(2) 100.8 yes
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
C4 O1 C3 O2 . . . . 178.97(13) ?
C4 O1 C3 C2 . . . . -0.63(19) ?
O2 C3 C2 C1 . . . . -178.90(14) ?
O1 C3 C2 C1 . . . . 0.7(2) ?
C3 C2 C1 C9 . . . . -0.2(2) ?
C3 C2 C1 C14 . . . . 179.84(14) ?
C9 C8 C7 C6 . . . . -1.5(2) ?
C9 C8 C7 C10 . . . . -178.19(13) ?
C12 C10 C7 C8 . . . . 86.1(2) ?
C13 C10 C7 C8 . . . . -34.9(2) ?
C11 C10 C7 C8 . . . . -154.54(16) ?
C12 C10 C7 C6 . . . . -90.5(2) ?
C13 C10 C7 C6 . . . . 148.46(19) ?
C11 C10 C7 C6 . . . . 28.9(2) ?
C8 C7 C6 C5 . . . . 1.1(2) ?
C10 C7 C6 C5 . . . . 177.77(13) ?
C7 C6 C5 C4 . . . . 0.3(2) ?
C3 O1 C4 C5 . . . . 179.81(13) ?
C3 O1 C4 C9 . . . . 0.2(2) ?
C6 C5 C4 O1 . . . . 178.96(13) ?
C6 C5 C4 C9 . . . . -1.4(2) ?
O1 C4 C9 C8 . . . . -179.38(12) ?
C5 C4 C9 C8 . . . . 1.0(2) ?
O1 C4 C9 C1 . . . . 0.3(2) ?
C5 C4 C9 C1 . . . . -179.32(13) ?
C7 C8 C9 C4 . . . . 0.5(2) ?
C7 C8 C9 C1 . . . . -179.19(13) ?
C2 C1 C9 C4 . . . . -0.3(2) ?
C14 C1 C9 C4 . . . . 179.69(13) ?
C2 C1 C9 C8 . . . . 179.38(14) ?
C14 C1 C9 C8 . . . . -0.6(2) ?
C19 N1 C14 C1 . . . . 85.53(16) ?
C15 N1 C14 C1 . . . . -93.71(16) ?
C2 C1 C14 N1 . . . . -4.4(2) ?
C9 C1 C14 N1 . . . . 175.64(12) ?
O3 O3 C19 N1 1 . . . 0.00(3) ?
O3 O3 C19 C18 1 . . . 0.00(4) ?
C15 N1 C19 O3 . . . 1 178.33(14) ?
C14 N1 C19 O3 . . . 1 -0.9(2) ?
C15 N1 C19 O3 . . . . 178.33(14) ?
C14 N1 C19 O3 . . . . -0.9(2) ?
C15 N1 C19 C18 . . . . 0.1(2) ?
C14 N1 C19 C18 . . . . -179.08(12) ?
O3 C19 C18 C17 1 . . . 153.26(14) ?
O3 C19 C18 C17 . . . . 153.26(14) ?
N1 C19 C18 C17 . . . . -28.58(18) ?
C19 C18 C17 C16 . . . . 52.45(16) ?
C19 C18 C17 C21 . . . . 171.31(13) ?
C19 C18 C17 C20 . . . . -67.54(17) ?
C18 C17 C16 C15 . . . . -51.80(17) ?
C21 C17 C16 C15 . . . . -170.48(13) ?
C20 C17 C16 C15 . . . . 68.43(17) ?
O4 O4 C15 N1 1 . . . 0.0(2) ?
O4 O4 C15 C16 1 . . . 0.00(13) ?
C19 N1 C15 O4 . . . 1 -178.11(15) ?
C14 N1 C15 O4 . . . 1 1.1(2) ?
C19 N1 C15 O4 . . . . -178.11(15) ?
C14 N1 C15 O4 . . . . 1.1(2) ?
C19 N1 C15 C16 . . . . 0.6(2) ?
C14 N1 C15 C16 . . . . 179.80(12) ?
C17 C16 C15 O4 . . . 1 -154.14(16) ?
C17 C16 C15 O4 . . . . -154.14(16) ?
C17 C16 C15 N1 . . . . 27.2(2) ?