#------------------------------------------------------------------------------
#$Date: 2023-04-03 17:35:40 +0100 (Mon, 03 Apr 2023) $
#$Revision: 282214 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/89/2238972.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_2238972
loop_
_publ_author_name
'Ullah, Nisar'
'Stoeckli-Evans, Helen'
_publ_section_title
;
8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1H)-one
chloroform 0.25-solvate
;
_journal_coeditor_code LR2120
_journal_issue 2
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first o103
_journal_page_last o104
_journal_paper_doi 10.1107/S160053681303448X
_journal_volume 70
_journal_year 2014
_chemical_formula_iupac 'C27 H27 F N2 O, 0.25C H Cl3'
_chemical_formula_moiety 'C27 H27 F N2 O, 0.25(C H Cl3)'
_chemical_formula_sum 'C27.25 H27.25 Cl0.75 F N2 O'
_chemical_formula_weight 444.35
_chemical_name_systematic
'8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1H)-one chloroform 0.25-solvate'
_space_group_crystal_system triclinic
_space_group_IT_number 2
_space_group_name_Hall '-P 1'
_space_group_name_H-M_alt 'P -1'
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_atom_sites_solution_hydrogens mixed
_audit_creation_method SHELXL-2013
_cell_angle_alpha 79.206(9)
_cell_angle_beta 87.563(9)
_cell_angle_gamma 83.976(9)
_cell_formula_units_Z 4
_cell_length_a 7.6955(8)
_cell_length_b 16.618(2)
_cell_length_c 18.224(2)
_cell_measurement_reflns_used 8114
_cell_measurement_temperature 173(2)
_cell_measurement_theta_max 26.03
_cell_measurement_theta_min 1.53
_cell_volume 2276.1(4)
_computing_cell_refinement 'X-AREA (Stoe & Cie, 2009)'
_computing_data_collection 'X-AREA (Stoe & Cie, 2009)'
_computing_data_reduction 'X-RED32 (Stoe & Cie, 2009)'
_computing_molecular_graphics 'Mercury (Macrae et al., 2008)'
_computing_publication_material
;
SHELXL2013 (Sheldrick, 2008), PLATON (Spek, 2009) and
publCIF (Westrip, 2010)
;
_computing_structure_refinement 'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution 'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature 173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device '2-circle goniometer'
_diffrn_measurement_device_type 'Stoe IPDS 2'
_diffrn_measurement_method '\f + \w scans'
_diffrn_radiation_monochromator 'plane graphite'
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0930
_diffrn_reflns_limit_h_max 9
_diffrn_reflns_limit_h_min -9
_diffrn_reflns_limit_k_max 20
_diffrn_reflns_limit_k_min -20
_diffrn_reflns_limit_l_max 22
_diffrn_reflns_limit_l_min -22
_diffrn_reflns_number 27043
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 25.693
_diffrn_reflns_theta_min 1.530
_exptl_absorpt_coefficient_mu 0.169
_exptl_absorpt_correction_T_max 1.0000
_exptl_absorpt_correction_T_min 0.7641
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(MULscanABS in PLATON; Spek, 2009)'
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 1.297
_exptl_crystal_description rod
_exptl_crystal_F_000 938
_exptl_crystal_size_max 0.45
_exptl_crystal_size_mid 0.30
_exptl_crystal_size_min 0.15
_refine_diff_density_max 0.628
_refine_diff_density_min -0.604
_refine_ls_extinction_coef 0.0034(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method 'SHELXL2013 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref 0.692
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 595
_refine_ls_number_reflns 8614
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 0.692
_refine_ls_R_factor_all 0.1212
_refine_ls_R_factor_gt 0.0499
_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^)+(0.0494P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1036
_refine_ls_wR_factor_ref 0.1153
_reflns_number_gt 3481
_reflns_number_total 8614
_reflns_threshold_expression I>2\s(I)
_cod_data_source_file lr2120sup1.cif
_cod_data_source_block I
_cod_database_code 2238972
_cod_database_fobs_code 2238972
#BEGIN Tags that were not found in dictionaries:
_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_hkl_checksum 79687
_shelx_hkl_file
;
9 7 -1 5.01 17.92
9 7 -1 1.11 18.28
9 6 -1 0.09 17.15
9 6 -1 5.31 18.12
9 6 -1 2.98 17.84
9 6 -2 1.56 17.71
9 6 -2 3.67 18.14
9 6 -2 4.04 18.19
9 5 -1 6.35 21.94
9 5 -1 9.92 21.73
9 5 -1 6.20 12.35
9 5 -2 16.40 17.91
9 5 -2 18.78 17.83
9 5 -2 11.74 17.95
9 5 -3 3.63 22.12
9 5 -3 0.33 17.41
9 5 -3 4.68 17.94
9 4 -1 -1.76 17.29
9 4 -1 1.19 21.58
9 4 -1 3.32 21.28
9 4 -2 4.12 18.12
9 4 -2 3.91 17.62
9 4 -2 3.04 17.58
9 4 -3 3.27 18.00
9 4 -3 1.91 17.71
9 4 -3 0.89 17.86
9 4 -4 3.17 22.28
9 4 -4 0.00 18.71
9 4 -4 0.20 22.51
9 3 -1 12.65 12.60
9 3 -1 6.86 22.50
9 3 -1 8.67 21.44
9 3 -2 -3.31 17.71
9 3 -2 4.17 22.01
9 3 -2 0.82 22.38
9 3 -3 5.76 17.74
9 3 -3 1.26 17.81
9 3 -3 1.64 17.48
9 3 -4 -2.68 18.34
9 3 -4 -0.09 17.54
9 3 -4 3.87 21.88
9 2 -1 18.15 28.55
9 2 -1 12.97 12.69
9 2 -1 21.03 32.32
9 2 -2 14.26 17.41
9 2 -2 10.85 25.27
9 2 -2 9.07 22.66
9 2 -3 24.98 18.19
9 2 -3 35.52 21.82
9 2 -3 27.45 22.25
9 2 -4 1.87 18.08
9 2 -4 -0.26 18.29
9 2 -4 -0.54 22.64
9 2 -5 5.89 18.59
9 2 -5 6.17 18.17
9 2 -5 7.30 18.43
9 1 -1 28.66 17.64
9 1 -2 36.41 17.64
9 1 -3 -0.24 26.01
9 1 -3 -4.25 18.08
9 1 -3 1.41 25.20
9 1 -4 12.74 25.42
9 1 -4 12.52 22.18
9 1 -4 11.17 18.66
9 1 -5 1.78 21.94
9 1 -5 2.55 22.20
9 1 -5 0.42 18.81
9 0 -1 40.34 17.51
9 0 -2 4.45 17.39
9 0 -3 93.22 18.92
9 0 -4 20.15 32.44
9 0 -4 15.30 32.64
9 0 -4 18.31 19.00
9 0 -5 2.36 25.94
9 0 -5 1.93 25.87
9 0 -5 1.84 18.84
9 -1 0 0.44 17.57
-9 1 0 -5.32 17.84
-9 1 1 1.51 18.25
9 -1 -1 1.86 17.88
9 -1 -2 0.70 18.08
-9 1 2 -3.54 18.41
9 -1 -3 20.85 18.60
9 -1 -4 144.01 19.52
9 -2 0 42.09 18.06
-9 2 0 14.72 13.08
-9 2 1 21.38 18.41
9 -2 -1 28.62 18.31
-9 2 2 3.24 18.44
9 -2 -2 -6.39 18.29
-9 2 3 46.83 19.01
9 -2 -3 52.58 19.12
9 -2 -4 46.72 19.03
9 -3 0 61.20 13.44
-9 3 0 62.21 19.16
9 -3 -1 -2.98 18.91
9 -3 -2 67.92 18.86
9 -3 -3 -1.83 18.85
8 11 -1 -0.84 12.95
8 11 -1 6.47 18.93
8 11 -1 2.87 17.17
8 11 -2 -2.68 18.32
8 11 -2 8.21 17.04
8 11 -2 3.18 19.15
8 10 -1 7.51 11.60
8 10 -1 13.24 17.73
8 10 -1 10.80 18.09
8 10 -2 0.82 18.23
8 10 -2 -6.66 18.24
8 10 -2 -3.93 11.94
8 10 -3 -2.39 12.98
8 10 -3 0.92 11.32
8 10 -3 3.70 18.75
8 10 -4 10.11 18.71
8 10 -4 12.57 16.36
8 10 -4 3.70 12.69
8 9 -1 0.35 18.39
8 9 -1 12.42 16.18
8 9 -1 17.39 17.56
8 9 -2 83.11 18.00
8 9 -2 92.57 16.86
8 9 -2 74.76 18.05
8 9 -3 5.46 18.57
8 9 -3 3.34 17.77
8 9 -3 1.32 16.39
8 9 -4 17.05 18.09
8 9 -4 8.36 18.64
8 9 -4 10.49 16.47
8 9 -5 -5.02 17.19
8 9 -5 2.39 18.85
8 9 -5 1.76 18.24
8 9 -6 0.62 18.31
8 8 -1 0.47 15.47
8 8 -1 4.67 12.54
8 8 -1 -2.55 16.67
8 8 -2 0.09 15.93
8 8 -2 0.00 17.13
8 8 -2 -5.32 17.93
8 8 -3 11.65 17.63
8 8 -3 9.92 17.83
8 8 -3 14.30 15.79
8 8 -4 -0.96 17.72
8 8 -4 7.20 16.56
8 8 -4 -1.51 12.85
8 8 -5 8.69 18.52
8 8 -5 4.15 16.74
8 8 -5 7.12 17.56
8 8 -6 -4.86 18.42
8 8 -6 3.07 12.44
8 8 -6 5.46 18.76
8 8 -7 2.62 17.84
8 8 -7 0.91 17.30
8 8 -7 -3.33 18.69
8 8 -7 -1.38 17.29
8 7 -1 2.37 16.05
8 7 -1 -2.82 10.63
8 7 -1 0.54 17.23
8 7 -2 8.18 17.09
8 7 -2 5.21 17.12
8 7 -2 11.36 15.47
8 7 -3 12.62 17.27
8 7 -3 6.39 16.88
8 7 -3 18.78 15.85
8 7 -4 9.13 17.09
8 7 -4 5.23 16.26
8 7 -4 7.16 17.40
8 7 -5 1.90 11.84
8 7 -5 3.33 17.89
8 7 -5 0.56 17.50
8 7 -6 4.15 12.63
8 7 -6 2.58 17.61
8 7 -6 0.38 17.98
8 7 -7 -4.25 17.90
8 7 -7 4.43 22.52
8 7 -7 0.80 20.47
8 7 -7 -10.65 17.64
8 7 -8 3.40 18.02
8 6 -1 4.74 16.69
8 6 -1 4.44 15.09
8 6 -1 1.87 16.11
8 6 -2 8.27 16.23
8 6 -2 6.72 16.57
8 6 -2 9.04 15.54
8 6 -3 15.36 17.07
8 6 -3 11.67 17.13
8 6 -3 15.86 16.28
8 6 -4 2.00 16.04
8 6 -4 8.10 17.19
8 6 -4 4.72 16.64
8 6 -5 2.63 11.89
8 6 -5 0.77 17.09
8 6 -5 0.98 17.20
8 6 -6 3.45 17.52
8 6 -6 3.29 16.96
8 6 -6 3.02 16.64
8 6 -7 28.20 12.85
8 6 -7 34.06 17.49
8 6 -7 20.76 17.79
8 6 -8 -1.73 17.87
8 6 -8 -1.22 18.11
8 6 -8 0.24 17.17
8 6 -8 2.39 22.64
8 5 -1 -3.52 16.23
8 5 -1 0.67 15.73
8 5 -1 -2.35 15.42
8 5 -2 6.19 15.31
8 5 -2 5.94 16.41
8 5 -2 11.62 19.79
8 5 -3 8.84 19.92
8 5 -3 9.52 15.94
8 5 -3 13.04 16.40
8 5 -4 7.08 16.64
8 5 -4 -0.24 15.84
8 5 -4 -2.23 16.38
8 5 -5 -0.95 16.30
8 5 -5 0.03 17.24
8 5 -5 -6.73 16.42
8 5 -6 2.56 17.03
8 5 -6 5.67 20.93
8 5 -6 5.03 17.10
8 5 -7 -4.40 17.31
8 5 -7 1.39 17.11
8 5 -7 4.42 17.46
8 5 -8 99.75 17.60
8 5 -8 85.20 17.93
8 5 -8 107.57 17.98
8 5 -8 78.47 18.65
8 5 -9 -2.16 18.61
8 5 -9 1.76 24.44
8 5 -9 2.44 22.64
8 5 -9 0.90 18.15
8 4 -1 6.78 18.88
8 4 -1 4.71 15.83
8 4 -1 4.25 15.76
8 4 -2 -1.97 15.93
8 4 -2 1.20 16.04
8 4 -2 1.98 19.63
8 4 -3 1.77 10.87
8 4 -3 1.26 15.70
8 4 -3 1.87 16.25
8 4 -4 0.44 15.85
8 4 -4 3.16 16.11
8 4 -4 2.64 16.41
8 4 -5 6.05 16.39
8 4 -5 6.62 16.55
8 4 -5 4.99 16.38
8 4 -6 18.16 16.68
8 4 -6 15.29 17.13
8 4 -6 20.35 16.31
8 4 -7 12.41 17.22
8 4 -7 6.83 17.43
8 4 -7 7.12 16.94
8 4 -8 5.21 21.82
8 4 -8 6.64 17.43
8 4 -8 6.16 17.16
8 4 -9 35.62 23.11
8 4 -9 39.43 21.57
8 4 -9 43.93 17.91
8 4 -9 43.58 17.91
8 3 -1 5.58 19.21
8 3 -1 5.33 15.58
8 3 -1 3.86 19.25
8 3 -2 4.14 15.93
8 3 -2 8.26 10.95
8 3 -2 3.23 15.58
8 3 -3 3.57 10.92
8 3 -3 2.54 15.17
8 3 -3 -0.17 19.99
8 3 -4 8.24 15.95
8 3 -4 8.78 15.32
8 3 -4 7.92 16.52
8 3 -5 1.02 20.26
8 3 -5 4.08 15.91
8 3 -5 0.37 16.49
8 3 -6 0.46 16.42
8 3 -6 3.11 16.14
8 3 -6 3.50 16.29
8 3 -7 11.85 17.36
8 3 -7 7.16 16.48
8 3 -7 9.00 16.61
8 3 -8 5.55 25.44
8 3 -8 9.37 16.71
8 3 -8 8.46 17.02
8 3 -9 2.09 16.92
8 3 -9 -3.10 12.35
8 3 -9 1.92 26.06
8 3 -9 1.76 24.07
8 3 -10 9.36 18.18
8 3 -10 9.09 17.55
8 2 -1 11.20 19.19
8 2 -1 9.93 19.74
8 2 -1 15.42 15.44
8 2 -2 4.71 19.44
8 2 -2 5.23 19.46
8 2 -2 8.17 15.37
8 2 -3 34.77 15.17
8 2 -3 31.07 15.83
8 2 -3 32.07 15.59
8 2 -4 6.63 15.83
8 2 -4 2.10 16.03
8 2 -4 3.46 16.25
8 2 -5 35.97 16.32
8 2 -5 39.92 19.48
8 2 -5 39.52 16.75
8 2 -6 0.80 16.19
8 2 -6 5.51 20.59
8 2 -6 3.28 15.93
8 2 -7 -5.16 16.47
8 2 -7 -3.30 16.55
8 2 -7 1.47 17.52
8 2 -8 35.54 16.76
8 2 -8 41.80 16.81
8 2 -8 34.73 25.27
8 2 -9 10.99 17.44
8 2 -9 14.82 27.10
8 2 -9 5.63 16.82
8 2 -9 14.85 31.45
8 2 -10 4.87 17.78
8 2 -10 -0.10 17.39
8 1 -1 28.39 15.26
8 1 -1 21.97 22.53
8 1 -1 24.39 25.86
8 1 -2 9.96 15.47
8 1 -2 8.06 22.27
8 1 -2 5.96 22.32
8 1 -3 20.15 15.31
8 1 -3 16.82 19.37
8 1 -3 15.63 19.29
8 1 -4 102.26 20.21
8 1 -4 93.68 16.60
8 1 -4 90.57 16.52
8 1 -5 19.37 19.64
8 1 -5 24.06 15.78
8 1 -5 18.73 16.07
8 1 -6 2.29 15.96
8 1 -6 1.13 16.12
8 1 -6 1.68 17.18
8 1 -7 38.71 21.73
8 1 -7 37.09 16.72
8 1 -7 41.16 20.35
8 1 -8 6.67 21.15
8 1 -8 11.32 16.34
8 1 -8 9.69 16.19
8 1 -9 32.53 17.17
8 1 -9 37.76 32.45
8 1 -9 34.36 17.20
8 1 -9 32.10 30.43
8 1 -10 6.65 17.59
8 1 -10 17.22 17.03
8 0 -1 0.47 15.30
-8 0 1 1.03 15.11
8 0 -2 18.58 32.05
8 0 -2 16.37 15.62
-8 0 2 12.71 15.67
8 0 -2 15.11 28.85
8 0 -3 -0.65 22.16
8 0 -3 4.59 15.43
8 0 -3 1.07 22.64
8 0 -4 54.25 20.49
8 0 -4 45.11 16.49
8 0 -4 55.38 20.45
8 0 -5 9.80 16.05
8 0 -5 6.43 20.09
8 0 -5 8.16 19.85
8 0 -6 87.62 16.92
8 0 -6 85.68 20.42
8 0 -6 91.94 17.90
8 0 -7 6.20 19.80
8 0 -7 3.98 21.50
8 0 -7 -2.14 19.53
8 0 -8 14.95 16.75
8 0 -8 14.23 16.58
8 0 -8 13.77 21.09
8 0 -9 26.44 20.65
8 0 -9 33.43 17.08
8 0 -9 34.31 34.71
8 0 -10 19.55 17.45
8 0 -10 24.64 17.40
-8 1 0 9.30 10.74
8 -1 0 17.86 15.37
-8 1 1 62.54 11.62
8 -1 -1 95.94 15.99
8 -1 -2 27.77 15.69
-8 1 2 30.08 16.00
8 -1 -3 16.75 15.75
-8 1 3 17.36 16.18
8 -1 -4 5.14 22.56
8 -1 -4 5.92 16.49
8 -1 -4 5.17 23.23
8 -1 -5 6.61 20.00
8 -1 -5 7.38 16.51
8 -1 -5 1.06 19.94
8 -1 -6 35.35 17.32
8 -1 -6 36.33 17.28
8 -1 -6 31.35 20.07
8 -1 -7 14.92 21.14
8 -1 -7 9.66 20.26
8 -1 -7 10.83 20.93
8 -1 -8 -0.46 16.74
8 -1 -8 4.62 23.53
8 -1 -8 2.37 19.92
8 -1 -9 5.55 36.04
8 -1 -9 7.32 17.43
8 -1 -9 6.72 16.84
8 -1 -10 0.50 21.72
-8 2 0 12.00 11.50
8 -2 0 18.84 11.02
-8 2 1 40.03 16.38
8 -2 -1 46.10 15.81
-8 2 2 34.77 16.41
8 -2 -2 50.76 16.13
8 -2 -3 15.14 16.19
-8 2 3 9.07 16.64
8 -2 -4 33.41 20.37
-8 2 4 35.70 16.87
8 -2 -5 9.24 23.48
8 -2 -5 10.51 16.33
8 -2 -5 11.79 24.18
8 -2 -6 -0.22 19.85
8 -2 -6 0.05 20.76
8 -2 -6 -1.99 20.29
8 -2 -7 29.69 16.74
8 -2 -7 25.56 19.92
8 -2 -7 33.53 17.56
8 -2 -8 1.10 19.99
8 -2 -8 1.83 16.29
8 -2 -8 -0.10 17.42
8 -2 -9 -0.37 17.52
8 -2 -9 0.87 29.18
8 -2 -10 3.06 22.59
-8 3 0 0.92 16.79
8 -3 0 19.19 16.21
-8 3 1 44.94 16.98
8 -3 -1 55.87 16.42
8 -3 -2 1.76 16.14
-8 3 2 3.90 16.54
8 -3 -3 19.05 16.36
-8 3 3 12.27 16.86
8 -3 -4 1.37 16.32
-8 3 4 1.43 16.61
8 -3 -5 39.34 16.67
8 -3 -5 39.98 35.56
8 -3 -5 37.85 34.94
-8 3 5 32.91 21.04
-8 3 6 5.39 17.81
8 -3 -6 4.39 23.15
8 -3 -6 5.24 16.76
8 -3 -6 6.19 24.47
8 -3 -7 5.00 20.23
8 -3 -7 1.40 21.65
8 -3 -7 2.36 16.42
8 -3 -8 -1.88 20.10
8 -3 -8 4.49 17.82
8 -3 -8 1.62 20.19
8 -3 -9 9.77 26.90
8 -3 -9 14.57 22.80
-8 3 10 1.37 17.26
8 -3 -10 -3.51 18.62
8 -4 0 5.22 16.23
-8 4 0 6.95 17.52
8 -4 -1 3.30 11.74
-8 4 1 10.67 17.27
8 -4 -2 13.22 11.61
-8 4 2 6.48 17.28
-8 4 3 5.88 16.92
8 -4 -3 12.50 16.59
-8 4 4 54.63 17.72
8 -4 -4 69.25 16.41
-8 4 5 2.10 17.19
8 -4 -5 -4.54 16.43
8 -4 -6 6.92 16.31
8 -4 -6 9.12 26.93
8 -4 -6 10.82 28.93
-8 4 6 8.89 17.91
8 -4 -7 19.11 20.10
-8 4 7 12.29 18.61
8 -4 -7 14.09 25.77
8 -4 -7 12.34 20.40
8 -4 -8 0.92 22.41
8 -4 -8 -3.31 21.13
8 -4 -9 4.71 19.53
8 -4 -9 -0.16 23.97
8 -5 0 32.35 16.30
-8 5 0 34.26 18.28
-8 5 1 -1.67 17.88
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-5 13 1 3.35 15.25
-5 13 1 10.04 15.58
5 -13 -1 1.96 14.20
-5 13 2 5.76 19.28
-5 13 2 1.27 15.42
5 -13 -2 3.10 14.52
-5 13 2 -4.95 16.05
-5 13 3 30.62 19.55
5 -13 -3 26.08 16.10
5 -13 -3 28.48 10.26
-5 13 3 14.91 11.40
-5 13 4 109.88 16.68
5 -13 -4 140.46 20.65
5 -13 -4 123.98 15.28
-5 13 4 116.98 16.79
-5 13 5 25.58 15.42
5 -13 -5 24.82 14.92
5 -13 -5 26.33 20.12
-5 13 5 3.75 11.67
5 -13 -6 -3.39 17.42
-5 13 6 6.09 15.00
-5 13 6 -4.33 16.57
-5 13 7 14.82 16.07
-5 13 7 7.86 16.98
5 -13 -7 19.23 17.49
-5 13 8 0.37 16.45
5 -13 -8 6.53 17.07
-5 13 8 6.18 17.19
5 -13 -9 56.39 17.92
-5 13 9 48.01 17.74
-5 13 9 51.88 16.81
-5 13 10 11.82 16.87
5 -13 -10 8.17 17.71
-5 13 10 6.80 17.68
-5 13 11 11.47 18.13
-5 13 11 14.34 17.37
5 -13 -11 0.58 18.25
-5 13 12 0.48 18.04
-5 13 12 3.86 18.19
5 -13 -12 2.09 13.15
-5 14 0 8.25 11.93
5 -14 0 17.45 15.47
-5 14 0 14.76 19.77
-5 14 0 7.36 18.39
-5 14 1 0.62 16.21
5 -14 -1 -1.11 14.97
-5 14 1 -0.35 17.56
-5 14 1 4.03 11.45
5 -14 -2 25.26 15.21
-5 14 2 12.17 11.88
-5 14 2 14.13 16.46
-5 14 2 16.03 17.09
-5 14 3 6.72 20.59
5 -14 -3 10.12 15.37
5 -14 -3 6.53 16.77
-5 14 3 7.86 16.92
5 -14 -4 -1.31 16.55
5 -14 -4 1.85 10.70
-5 14 4 4.62 16.40
-5 14 4 6.04 16.83
-5 14 5 1.22 12.14
5 -14 -5 6.50 17.41
-5 14 5 -4.85 16.72
5 -14 -6 5.07 17.51
-5 14 6 10.52 16.39
-5 14 6 13.99 16.95
-5 14 7 -7.58 17.71
5 -14 -7 3.93 17.98
-5 14 7 6.42 16.66
-5 14 8 16.96 17.69
-5 14 8 26.15 21.17
5 -14 -8 32.68 18.78
-5 14 9 -1.52 17.43
-5 14 9 8.51 18.07
5 -14 -9 9.93 18.92
-5 14 10 3.15 18.44
5 -14 -10 1.40 18.80
-5 14 10 12.64 18.05
5 -14 -11 6.11 19.62
5 -15 0 14.30 11.75
-5 15 0 5.52 17.16
-5 15 0 11.47 16.70
-5 15 0 11.08 19.40
-5 15 1 10.72 20.54
5 -15 -1 8.55 16.30
-5 15 1 -1.02 18.64
-5 15 1 7.17 17.92
5 -15 -2 5.03 16.19
-5 15 2 2.29 22.43
-5 15 2 10.97 17.65
-5 15 2 2.44 16.89
-5 15 3 13.77 17.65
-5 15 3 12.82 17.93
5 -15 -3 13.95 15.60
-5 15 4 12.97 18.10
5 -15 -4 7.73 17.41
5 -15 -4 0.34 11.33
-5 15 4 7.01 17.50
5 -15 -5 4.44 17.51
-5 15 5 11.57 18.35
-5 15 5 14.47 21.25
-5 15 6 6.49 17.89
-5 15 6 4.04 18.14
5 -15 -6 2.72 18.55
-5 15 7 39.44 18.08
5 -15 -7 36.06 19.00
-5 15 7 40.90 18.89
5 -15 -8 12.93 19.68
-5 15 8 17.14 18.25
-5 15 8 22.34 18.50
4 18 -1 3.93 12.48
4 18 -1 6.72 17.63
4 18 -1 10.88 16.55
4 18 -2 -1.12 17.45
4 18 -2 -0.90 16.87
4 18 -2 5.59 12.79
4 17 -1 12.34 11.82
4 17 -1 14.57 16.37
4 17 -1 8.38 11.96
4 17 -2 2.46 11.39
4 17 -2 1.23 16.43
4 17 -2 -2.09 12.15
4 17 -3 -0.64 16.58
4 17 -3 2.22 11.54
4 17 -3 8.79 16.91
4 17 -4 3.11 11.94
4 17 -4 7.77 16.75
4 17 -4 7.78 17.43
4 17 -5 -0.21 17.76
4 17 -5 9.73 17.42
4 17 -5 6.08 17.53
4 16 -1 1.65 15.54
4 16 -1 8.26 11.12
4 16 -1 1.88 10.93
4 16 -2 -3.44 10.83
4 16 -2 -5.63 15.38
4 16 -2 5.06 15.82
4 16 -3 16.26 16.07
4 16 -3 23.00 15.97
4 16 -3 15.98 16.22
4 16 -4 6.66 16.58
4 16 -4 3.41 16.49
4 16 -4 6.98 16.54
4 16 -5 6.08 16.14
4 16 -5 6.65 16.27
4 16 -5 5.42 16.66
4 16 -6 25.94 17.40
4 16 -6 27.91 17.25
4 16 -6 16.36 17.64
4 16 -7 5.43 12.46
4 16 -7 4.04 17.63
4 16 -7 -4.04 16.78
4 15 -1 43.28 10.66
4 15 -1 41.70 14.83
4 15 -1 52.75 14.96
4 15 -2 24.16 15.16
4 15 -2 21.27 15.10
4 15 -2 31.05 15.42
4 15 -3 -3.18 10.82
4 15 -3 3.79 11.02
4 15 -3 -1.90 16.01
4 15 -4 9.10 15.64
4 15 -4 2.75 15.13
4 15 -4 8.28 11.29
4 15 -5 35.35 16.17
4 15 -5 43.52 15.81
4 15 -5 43.11 11.19
4 15 -6 17.87 15.98
4 15 -6 12.41 11.48
4 15 -6 17.48 11.68
4 15 -7 -2.31 16.07
4 15 -7 2.36 16.51
4 15 -7 -1.12 16.40
4 15 -8 -2.69 11.68
4 15 -8 4.21 11.65
4 15 -8 -6.17 16.44
4 15 -9 10.85 11.82
4 15 -9 4.08 17.89
4 15 -9 1.31 16.80
4 14 -1 11.37 14.58
4 14 -1 15.95 14.01
4 14 -1 1.77 14.21
4 14 -2 0.92 10.11
4 14 -2 -0.16 9.77
4 14 -2 6.14 10.66
4 14 -3 36.06 14.62
4 14 -3 26.76 14.36
4 14 -3 31.70 14.61
4 14 -4 17.30 14.81
4 14 -4 9.64 10.35
4 14 -4 14.25 14.53
4 14 -5 3.76 10.78
4 14 -5 3.24 10.77
4 14 -5 -9.89 14.66
4 14 -6 4.17 15.43
4 14 -6 7.67 14.97
4 14 -6 6.16 15.37
4 14 -7 11.79 15.56
4 14 -7 -1.35 11.08
4 14 -7 -6.28 15.28
4 14 -8 5.91 16.27
4 14 -8 2.24 15.98
4 14 -8 3.34 16.48
4 14 -9 3.64 16.55
4 14 -9 3.27 15.97
4 14 -9 7.62 12.08
4 14 -10 -3.27 16.62
4 14 -10 0.06 17.83
4 14 -10 -2.64 11.79
4 13 -1 0.46 13.63
4 13 -1 0.90 13.83
4 13 -1 -0.63 9.63
4 13 -2 39.51 14.13
4 13 -2 25.84 13.96
4 13 -2 41.24 13.69
4 13 -3 3.09 14.04
4 13 -3 2.84 10.03
4 13 -3 -3.63 13.98
4 13 -4 6.37 14.42
4 13 -4 5.61 14.07
4 13 -4 7.61 14.28
4 13 -5 40.80 10.30
4 13 -5 48.60 14.51
4 13 -5 42.08 10.64
4 13 -6 16.54 10.35
4 13 -6 17.39 14.55
4 13 -6 13.16 14.34
4 13 -7 4.92 14.50
4 13 -7 13.83 14.97
4 13 -7 8.07 10.76
4 13 -8 13.08 15.11
4 13 -8 9.18 15.81
4 13 -8 14.87 15.21
4 13 -9 -1.98 16.07
4 13 -9 7.77 15.54
4 13 -9 7.68 15.66
4 13 -10 -2.40 15.58
4 13 -10 -0.93 17.13
4 13 -10 3.62 16.21
4 13 -11 -3.64 16.14
4 13 -11 -0.99 11.45
4 13 -11 3.34 17.89
4 12 -1 12.14 13.37
4 12 -1 22.22 13.24
4 12 -1 19.45 13.63
4 12 -2 35.39 13.39
4 12 -2 34.31 9.60
4 12 -2 35.80 13.26
4 12 -3 -2.66 13.36
4 12 -3 1.22 13.36
4 12 -3 -1.58 13.44
4 12 -4 2.70 13.54
4 12 -4 5.00 9.35
4 12 -4 3.10 13.49
4 12 -5 65.93 10.07
4 12 -5 60.63 10.11
4 12 -5 62.10 13.91
4 12 -6 75.38 10.64
4 12 -6 79.45 14.58
4 12 -6 84.47 10.68
4 12 -7 2.03 14.13
4 12 -7 7.80 14.63
4 12 -7 -5.40 9.66
4 12 -8 24.22 10.27
4 12 -8 24.21 15.18
4 12 -8 19.60 14.55
4 12 -9 -5.86 15.50
4 12 -9 5.33 10.21
4 12 -9 11.59 15.34
4 12 -10 7.73 15.22
4 12 -10 -4.72 15.15
4 12 -10 3.43 11.33
4 12 -11 9.28 16.97
4 12 -11 19.21 16.15
4 12 -11 4.36 10.99
4 12 -12 3.67 11.45
4 12 -12 2.73 16.37
4 12 -12 -2.08 17.99
4 11 -1 0.55 12.79
4 11 -1 10.40 12.85
4 11 -2 36.87 9.55
4 11 -2 45.49 13.21
4 11 -2 43.84 12.74
4 11 -3 3.72 13.04
4 11 -3 9.38 12.92
4 11 -3 13.42 9.11
4 11 -4 95.37 13.81
4 11 -4 104.29 10.13
4 11 -4 106.75 10.04
4 11 -5 18.69 9.60
4 11 -5 13.39 9.10
4 11 -5 17.18 9.39
4 11 -6 16.51 13.39
4 11 -6 10.30 13.62
4 11 -6 14.28 13.35
4 11 -7 5.26 14.02
4 11 -7 7.35 13.79
4 11 -7 6.95 14.04
4 11 -8 49.14 10.53
4 11 -8 57.66 14.62
4 11 -8 50.17 14.40
4 11 -9 7.38 9.83
4 11 -9 1.90 15.24
4 11 -9 0.70 14.12
4 11 -10 -1.01 10.28
4 11 -10 -0.85 10.11
4 11 -10 -1.47 15.87
4 11 -11 -10.45 16.50
4 11 -11 2.85 10.84
4 11 -11 4.86 15.05
4 11 -12 1.05 17.01
4 11 -12 3.42 16.15
4 11 -12 6.79 16.18
4 11 -13 8.47 16.79
4 11 -13 4.99 17.82
4 11 -13 13.18 16.74
4 10 -1 3.53 12.27
4 10 -1 0.98 8.61
4 10 -2 12.39 9.05
4 10 -2 11.94 12.50
4 10 -3 119.01 13.18
4 10 -3 125.89 12.96
4 10 -3 143.45 13.42
4 10 -4 2.14 12.46
4 10 -4 -2.30 12.51
4 10 -4 -0.80 12.81
4 10 -5 32.09 9.15
4 10 -5 25.11 12.83
4 10 -5 27.63 12.64
4 10 -6 32.53 13.32
4 10 -6 31.20 9.61
4 10 -6 36.06 9.57
4 10 -7 -1.16 13.20
4 10 -7 3.60 13.16
4 10 -7 5.64 12.91
4 10 -8 13.86 13.37
4 10 -8 17.01 9.51
4 10 -8 18.48 14.08
4 10 -9 17.00 9.61
4 10 -9 22.14 9.57
4 10 -9 22.65 14.24
4 10 -10 12.46 14.62
4 10 -10 10.84 15.46
4 10 -10 9.47 10.33
4 10 -11 14.35 10.72
4 10 -11 12.51 15.64
4 10 -11 15.62 10.78
4 10 -12 -1.12 10.70
4 10 -12 -0.66 10.60
4 10 -12 10.05 16.64
4 10 -13 6.75 11.15
4 10 -13 10.76 16.38
4 10 -13 9.09 20.71
4 10 -14 0.72 17.96
4 10 -14 0.42 16.83
4 10 -14 5.56 11.98
4 9 -1 24.57 12.79
4 9 -1 30.08 12.53
4 9 -2 25.18 8.84
4 9 -2 26.79 12.27
4 9 -3 7.29 11.92
4 9 -3 2.40 12.28
4 9 -4 1.17 12.17
4 9 -4 -0.77 8.70
4 9 -4 -6.09 12.07
4 9 -5 10.87 12.64
4 9 -5 8.55 11.83
4 9 -5 9.07 8.52
4 9 -6 44.12 12.64
4 9 -6 42.72 13.01
4 9 -6 46.03 12.39
4 9 -7 5.33 9.20
4 9 -7 4.26 9.38
4 9 -7 -0.97 9.03
4 9 -8 6.40 8.94
4 9 -8 7.51 13.59
4 9 -8 7.96 12.93
4 9 -9 2.06 14.26
4 9 -9 4.81 9.47
4 9 -9 8.38 13.07
4 9 -10 3.52 14.45
4 9 -10 4.29 14.05
4 9 -10 2.11 13.61
4 9 -11 7.51 10.57
4 9 -11 -3.32 18.61
4 9 -11 0.23 14.30
4 9 -12 6.41 15.76
4 9 -12 9.23 10.98
4 9 -12 7.43 10.10
4 9 -13 -4.53 10.99
4 9 -13 3.29 16.28
4 9 -14 1.23 17.17
4 9 -14 0.62 16.41
4 9 -15 7.14 12.13
4 9 -15 6.96 21.77
4 8 -1 145.49 9.71
4 8 -1 133.60 9.94
4 8 -2 73.19 8.86
4 8 -2 93.76 12.61
4 8 -3 7.19 12.01
4 8 -3 12.36 12.30
4 8 -4 3.58 11.96
4 8 -4 3.06 12.27
4 8 -4 2.34 11.61
4 8 -5 0.45 12.51
4 8 -5 6.53 12.64
4 8 -5 1.45 8.68
4 8 -6 13.64 12.31
4 8 -6 13.21 12.69
4 8 -6 16.22 12.30
4 8 -7 16.25 8.64
4 8 -7 13.62 12.82
4 8 -7 10.61 12.26
4 8 -8 43.45 9.52
4 8 -8 51.32 9.18
4 8 -8 66.39 13.66
4 8 -9 7.84 9.45
4 8 -9 4.01 13.79
4 8 -9 1.42 9.02
4 8 -10 2.46 14.19
4 8 -10 5.67 9.48
4 8 -11 24.21 18.64
4 8 -11 27.25 10.28
4 8 -12 21.59 14.93
4 8 -12 20.84 16.15
4 8 -13 -0.16 15.06
-4 -8 13 6.45 15.28
4 8 -13 2.57 15.74
4 8 -14 8.24 16.23
4 8 -14 4.58 11.38
-4 -8 14 5.48 16.04
4 8 -15 3.55 20.80
4 8 -15 2.07 16.74
-4 -8 15 1.30 12.12
4 8 -16 10.23 12.46
-4 -8 16 21.64 17.65
4 8 -16 12.80 18.07
4 7 -1 1.75 12.09
4 7 -1 3.05 8.31
4 7 -2 34.90 8.69
4 7 -2 27.89 11.89
4 7 -3 13.23 8.38
4 7 -3 4.07 8.05
4 7 -4 11.50 11.65
4 7 -4 11.84 12.28
4 7 -5 4.08 11.68
4 7 -5 -2.27 12.13
4 7 -5 5.50 11.63
4 7 -6 6.51 11.89
4 7 -6 7.90 11.89
4 7 -6 6.67 12.56
4 7 -7 16.10 12.86
4 7 -7 22.65 9.05
4 7 -7 24.61 12.22
4 7 -8 46.34 12.32
4 7 -8 39.47 12.98
4 7 -8 32.70 9.20
4 7 -9 78.29 9.84
4 7 -9 74.14 13.39
-4 -7 10 95.25 13.44
4 7 -10 81.52 10.12
4 7 -10 78.93 14.84
4 7 -11 6.35 9.87
4 7 -11 12.02 14.83
-4 -7 11 12.36 13.96
-4 -7 12 37.65 14.39
4 7 -12 30.18 14.05
4 7 -12 33.08 15.54
4 7 -13 11.55 15.49
4 7 -13 24.62 14.92
-4 -7 13 22.47 14.93
4 7 -14 18.68 15.61
4 7 -14 12.91 14.96
-4 -7 14 20.20 15.80
4 7 -15 8.36 16.34
4 7 -15 2.77 11.62
-4 -7 15 -0.06 16.56
4 7 -16 10.19 16.91
4 7 -16 7.22 21.39
-4 -7 16 9.02 11.69
4 6 -1 2.67 8.41
4 6 -1 2.46 8.56
4 6 -1 3.56 11.13
4 6 -2 12.70 11.37
4 6 -2 13.92 11.84
4 6 -3 96.27 12.16
4 6 -3 98.64 11.80
4 6 -4 10.12 11.53
4 6 -4 6.24 11.56
4 6 -5 19.56 8.63
4 6 -5 27.72 11.75
4 6 -5 23.52 11.94
4 6 -6 3.94 8.56
4 6 -6 6.07 11.74
4 6 -6 4.57 11.55
4 6 -7 96.92 12.60
4 6 -7 77.70 12.36
-4 -6 8 80.91 12.83
4 6 -8 79.53 8.74
4 6 -8 75.01 12.86
4 6 -9 58.45 13.12
-4 -6 9 66.89 9.45
4 6 -9 55.52 13.56
-4 -6 10 42.38 13.20
4 6 -10 39.95 13.35
4 6 -10 40.18 14.19
4 6 -11 26.79 9.52
-4 -6 11 19.38 9.26
4 6 -11 17.68 14.41
-4 -6 12 62.20 10.37
4 6 -12 57.10 18.75
4 6 -12 68.97 14.30
4 6 -13 2.19 18.13
4 6 -13 14.34 14.61
-4 -6 13 4.08 15.24
4 6 -14 6.63 15.36
-4 -6 14 12.00 14.94
4 6 -14 5.38 18.59
4 6 -15 26.13 11.34
4 6 -15 15.79 20.64
-4 -6 15 26.14 15.63
4 6 -16 5.15 25.61
4 6 -16 9.56 16.69
-4 -6 16 -2.69 11.82
4 6 -17 2.98 17.47
4 6 -17 3.22 31.27
-4 -6 17 -3.99 12.59
4 5 -1 1.97 12.00
4 5 -1 0.55 7.65
4 5 -1 -2.52 11.88
4 5 -2 0.85 11.75
4 5 -2 0.95 12.26
4 5 -2 2.09 7.79
4 5 -3 40.54 8.77
4 5 -3 50.13 11.14
4 5 -3 47.68 8.50
4 5 -4 67.28 11.70
4 5 -4 62.69 11.70
4 5 -5 23.99 11.49
4 5 -5 25.33 10.94
4 5 -6 8.62 11.48
4 5 -6 3.47 8.60
4 5 -7 21.57 14.30
-4 -5 7 27.86 12.05
4 5 -7 25.57 11.85
4 5 -8 157.25 9.72
4 5 -8 185.12 16.41
-4 -5 8 190.13 13.24
4 5 -9 27.98 8.67
-4 -5 9 34.25 12.66
4 5 -9 28.64 13.63
4 5 -10 333.18 11.16
4 5 -10 324.29 19.53
-4 -5 10 347.12 11.01
-4 -5 11 -2.14 9.88
4 5 -11 -0.80 14.23
4 5 -11 -0.25 13.49
4 5 -12 2.30 16.97
4 5 -12 3.89 13.57
-4 -5 12 4.76 9.68
-4 -5 13 46.89 10.77
4 5 -13 35.89 14.07
4 5 -13 34.06 20.95
-4 -5 14 9.65 14.93
4 5 -14 8.64 19.40
4 5 -14 6.89 10.45
4 5 -15 29.23 15.43
4 5 -15 26.01 27.81
-4 -5 15 30.67 15.47
-4 -5 16 50.12 11.41
4 5 -16 47.51 32.96
4 5 -16 60.53 16.91
-4 -5 17 10.28 11.76
4 5 -17 12.42 17.25
4 4 -1 339.19 11.00
4 4 -1 437.01 12.31
4 4 -1 393.19 12.81
4 4 -2 78.01 8.73
4 4 -2 74.44 9.45
4 4 -2 89.18 11.67
4 4 -3 59.84 12.51
4 4 -3 59.29 12.03
4 4 -3 49.01 8.49
4 4 -4 53.37 8.29
4 4 -4 57.38 12.82
4 4 -4 62.86 11.90
4 4 -5 67.14 13.12
4 4 -5 79.49 11.85
4 4 -6 91.35 12.34
-4 -4 6 91.63 12.06
4 4 -6 90.93 14.91
4 4 -6 71.62 13.55
-4 -4 7 9.61 8.67
4 4 -7 11.38 8.30
4 4 -7 6.99 15.80
4 4 -7 13.35 11.66
4 4 -8 45.18 8.48
4 4 -8 40.29 12.75
4 4 -8 34.01 13.52
-4 -4 8 40.27 12.37
4 4 -9 8.56 16.03
-4 -4 9 10.04 8.69
4 4 -9 12.30 9.15
4 4 -10 278.42 19.42
4 4 -10 295.25 10.90
-4 -4 10 297.19 14.16
-4 -4 11 631.12 16.15
4 4 -11 632.90 15.91
4 4 -11 503.51 22.19
-4 -4 12 109.24 13.98
4 4 -12 78.14 20.57
4 4 -12 96.20 10.13
4 4 -13 3.86 20.45
4 4 -13 6.52 23.47
4 4 -13 6.66 14.09
-4 -4 13 11.05 10.21
4 4 -14 6.04 38.19
4 4 -14 5.79 14.79
-4 -4 14 4.44 14.57
4 4 -14 4.44 31.99
4 4 -15 -1.61 15.35
-4 -4 15 8.36 14.94
4 4 -16 1.47 15.71
-4 -4 16 3.18 15.54
-4 -4 17 3.60 16.05
4 4 -17 1.39 16.31
4 4 -18 10.48 17.33
-4 -4 18 9.92 16.39
4 3 -1 200.10 14.25
4 3 -1 213.28 12.85
4 3 -1 232.52 13.38
4 3 -2 2.47 8.98
4 3 -2 1.82 11.29
4 3 -2 5.03 11.10
4 3 -3 178.78 12.32
4 3 -3 185.96 12.04
4 3 -3 155.29 13.90
4 3 -4 3.05 15.76
4 3 -4 3.16 10.86
4 3 -5 23.36 13.00
-4 -3 5 30.98 11.73
4 3 -5 30.45 11.54
4 3 -6 0.85 11.68
4 3 -6 0.21 13.12
-4 -3 6 -4.24 11.63
4 3 -7 11.43 16.33
4 3 -7 12.51 14.20
-4 -3 7 11.81 8.73
4 3 -7 14.62 8.54
4 3 -8 62.18 15.54
4 3 -8 48.89 16.86
-4 -3 8 62.67 12.60
4 3 -8 52.29 8.94
4 3 -9 103.13 20.31
-4 -3 9 113.95 9.57
4 3 -9 90.40 17.56
4 3 -9 109.21 12.78
4 3 -10 124.37 24.29
4 3 -10 128.29 20.42
-4 -3 10 159.93 13.55
4 3 -10 150.85 13.43
4 3 -11 21.88 28.69
4 3 -11 19.80 26.22
4 3 -11 15.13 9.34
-4 -3 11 26.00 13.13
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3 16 -3 13.05 15.45
3 16 -3 9.62 15.20
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3 16 -4 7.36 10.70
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3 16 -5 37.57 16.33
3 16 -5 13.69 11.11
3 16 -5 22.17 11.15
3 16 -6 16.63 11.30
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3 16 -8 10.44 17.00
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3 15 -1 28.35 10.60
3 15 -2 14.47 14.26
3 15 -2 8.07 15.18
3 15 -2 10.63 10.17
3 15 -3 147.16 15.09
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3 15 -3 130.22 14.78
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3 15 -4 9.77 10.50
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3 15 -7 8.16 15.47
3 15 -7 8.43 11.23
3 15 -7 13.50 10.93
3 15 -8 79.19 17.04
3 15 -8 59.50 11.68
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3 15 -9 -0.55 11.48
3 15 -9 -5.08 17.21
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3 14 -1 6.79 13.33
3 14 -1 0.73 9.51
3 14 -2 17.66 13.67
3 14 -2 20.64 9.94
3 14 -2 13.17 9.86
3 14 -3 36.41 14.28
3 14 -3 25.32 14.20
3 14 -3 47.73 14.03
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3 14 -4 52.94 10.32
3 14 -4 74.69 10.30
3 14 -5 40.39 14.28
3 14 -5 51.14 14.26
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3 14 -6 8.87 14.50
3 14 -6 6.26 15.02
3 14 -6 9.36 10.18
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3 14 -8 11.36 14.77
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3 14 -9 47.95 11.15
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3 14 -10 0.89 16.05
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3 14 -10 2.91 17.24
3 14 -11 1.17 16.24
3 14 -11 -0.93 12.79
3 14 -11 -1.69 11.47
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3 13 -1 47.77 13.46
3 13 -1 32.52 9.73
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3 13 -2 47.06 13.37
3 13 -2 39.12 13.47
3 13 -3 3.25 13.15
3 13 -3 12.55 13.53
3 13 -3 5.86 13.15
3 13 -4 19.19 13.59
3 13 -4 26.49 9.77
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3 13 -8 2.56 10.19
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3 13 -9 11.25 14.47
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3 11 -2 32.43 12.58
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3 11 -10 7.10 13.50
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3 10 -8 16.52 12.82
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3 10 -9 45.12 9.20
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3 -14 -5 -1.43 15.14
3 -14 -6 18.16 15.41
-3 14 6 11.02 15.29
-3 14 6 9.86 14.39
3 -14 -7 19.99 15.69
-3 14 7 28.32 15.17
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3 -14 -8 23.82 15.75
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-3 14 9 -0.57 14.57
3 -14 -9 6.07 15.84
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3 -14 -10 16.33 15.79
-3 14 11 11.68 14.97
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3 -14 -11 8.92 16.31
-3 14 12 27.43 15.32
3 -14 -12 16.87 11.85
-3 14 12 24.13 17.22
3 -14 -13 40.31 12.41
-3 14 13 39.31 15.87
-3 14 13 43.01 18.02
3 -14 -14 6.46 12.45
-3 14 14 1.07 11.08
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-3 14 15 3.54 16.75
3 -14 -15 4.30 18.47
-3 14 15 10.56 19.22
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3 -15 0 8.06 14.80
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-3 15 1 16.35 15.50
-3 15 1 17.91 15.41
3 -15 -1 15.83 10.34
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3 -15 -2 4.19 10.85
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3 -15 -3 2.53 15.46
-3 15 3 3.75 15.48
3 -15 -4 2.52 11.02
-3 15 4 7.34 15.53
-3 15 4 -0.38 15.48
3 -15 -5 5.60 15.57
-3 15 5 7.89 15.81
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3 -15 -6 9.68 15.99
-3 15 6 6.90 11.69
-3 15 6 10.78 15.17
3 -15 -7 13.30 11.47
-3 15 7 2.12 11.78
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3 -15 -8 4.27 16.15
-3 15 8 5.60 14.94
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-3 15 9 -4.68 17.16
3 -15 -9 1.15 11.61
-3 15 9 4.36 14.89
3 -15 -10 12.64 12.01
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3 -15 -11 5.52 16.41
-3 15 12 -6.00 15.74
3 -15 -12 5.53 11.95
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3 -15 -13 0.90 17.73
-3 15 13 6.86 18.60
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-3 15 14 10.76 16.93
3 -15 -14 2.44 18.21
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3 -16 0 39.29 15.19
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-3 16 1 12.54 16.44
-3 16 1 13.46 11.24
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3 -16 -2 2.40 11.17
3 -16 -3 9.75 15.97
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3 -16 -4 56.99 16.54
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3 -16 -5 0.05 16.23
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3 -16 -6 20.73 11.66
-3 16 6 16.82 17.02
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3 -16 -7 20.98 16.78
3 -16 -8 37.05 17.43
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3 -16 -9 50.92 17.74
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-3 16 10 0.99 18.11
3 -16 -10 12.33 17.53
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3 -16 -11 9.22 12.96
-3 16 12 5.65 11.81
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3 -16 -12 7.32 18.03
-3 16 13 17.20 16.87
3 -16 -13 11.22 18.93
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-3 17 1 30.38 17.60
-3 17 1 20.22 17.08
-3 17 1 18.42 17.32
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3 -17 -3 -0.91 16.78
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-3 17 4 -0.37 17.45
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3 -17 -4 7.56 16.74
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3 -17 -5 -0.50 17.07
-3 17 6 19.72 17.33
3 -17 -6 19.03 17.38
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-3 17 7 0.98 17.94
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3 -17 -7 -0.44 17.90
-3 17 8 -10.63 17.27
3 -17 -8 4.60 12.54
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3 -17 -9 0.49 12.97
-3 17 9 7.91 18.78
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3 -17 -10 4.92 18.58
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3 -17 -11 1.55 18.90
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-3 18 1 0.68 18.27
-3 18 1 -0.72 12.61
-3 18 1 4.49 17.50
-3 18 2 6.40 18.32
-3 18 2 7.68 18.23
-3 18 3 5.96 18.03
3 -18 -3 5.93 17.70
-3 18 3 15.77 18.34
3 -18 -4 2.57 17.99
-3 18 4 -1.58 13.25
-3 18 4 1.85 18.26
-3 18 5 34.37 13.53
-3 18 5 26.08 18.19
3 -18 -5 30.30 13.15
-3 18 6 3.75 13.49
3 -18 -6 10.36 18.87
-3 18 6 1.38 18.15
-3 18 7 18.96 19.32
3 -18 -7 11.30 18.66
-3 18 7 14.62 18.64
2 19 -1 2.32 17.48
2 19 -1 2.58 17.37
2 19 -1 3.15 17.49
2 19 -2 8.61 17.92
2 19 -2 -5.88 18.23
2 19 -2 -2.70 18.27
2 19 -3 15.43 18.38
2 19 -3 17.99 12.79
2 18 -1 5.49 11.30
2 18 -1 4.30 16.08
2 18 -1 -1.74 16.24
2 18 -2 4.11 17.16
2 18 -2 10.69 16.63
2 18 -2 6.49 16.47
2 18 -3 8.40 17.27
2 18 -3 3.54 11.84
2 18 -3 0.12 16.98
2 18 -4 2.40 12.37
2 18 -4 -2.10 17.32
2 18 -4 7.45 16.85
2 18 -5 30.19 17.41
2 18 -5 32.45 12.75
2 18 -5 43.59 13.07
2 17 -1 23.93 15.96
2 17 -1 20.37 15.45
2 17 -1 14.51 11.14
2 17 -2 -0.17 15.50
2 17 -2 5.13 15.81
2 17 -2 -0.46 11.41
2 17 -3 1.94 15.81
2 17 -3 5.55 15.85
2 17 -3 1.29 15.82
2 17 -4 3.51 11.81
2 17 -4 7.27 11.25
2 17 -4 -9.81 11.41
2 17 -5 6.62 16.50
2 17 -5 4.04 11.59
2 17 -5 -0.45 11.72
2 17 -6 4.34 12.10
2 17 -6 1.24 11.83
2 17 -6 10.78 17.35
2 17 -7 5.52 12.27
2 17 -7 16.75 18.38
2 17 -7 6.77 12.09
2 16 -1 36.07 14.86
2 16 -1 47.62 10.70
2 16 -1 50.33 14.81
2 16 -2 6.39 14.68
2 16 -2 5.89 10.44
2 16 -2 8.09 14.75
2 16 -3 16.85 10.37
2 16 -3 16.92 15.13
2 16 -3 6.24 10.89
2 16 -4 59.94 15.15
2 16 -4 68.63 10.97
2 16 -4 55.58 11.52
2 16 -5 4.92 16.19
2 16 -5 -0.28 15.77
2 16 -5 4.11 15.76
2 16 -6 36.43 15.99
2 16 -6 41.96 15.51
2 16 -6 37.48 16.40
2 16 -7 10.60 11.67
2 16 -7 9.22 11.88
2 16 -7 14.15 11.62
2 16 -8 -4.47 11.85
2 16 -8 2.83 12.71
2 16 -8 6.13 11.84
2 16 -9 3.72 12.60
2 16 -9 2.42 12.33
2 16 -9 2.53 17.51
2 15 -1 104.40 10.50
2 15 -1 90.69 9.84
2 15 -1 112.73 10.29
2 15 -2 261.37 11.78
2 15 -2 307.60 15.17
2 15 -2 310.00 15.66
2 15 -3 37.73 14.02
2 15 -3 40.97 14.85
2 15 -3 39.84 10.12
2 15 -4 9.93 14.27
2 15 -4 11.38 10.20
2 15 -4 5.36 14.33
2 15 -5 6.61 15.23
2 15 -5 -4.49 10.38
2 15 -5 -0.65 10.25
2 15 -6 -8.39 14.99
2 15 -6 1.97 14.79
2 15 -6 4.29 10.63
2 15 -7 32.81 11.35
2 15 -7 31.71 15.69
2 15 -7 42.14 15.60
2 15 -8 -2.84 15.49
2 15 -8 5.84 16.37
2 15 -8 1.64 10.96
2 15 -9 0.78 10.91
2 15 -9 -5.59 17.37
2 15 -9 -2.61 11.75
2 15 -10 1.52 16.56
2 15 -10 -3.25 11.75
2 15 -10 6.54 17.36
2 15 -11 4.74 17.50
2 15 -11 2.32 11.92
2 15 -11 -4.71 18.54
2 14 -1 69.70 13.70
2 14 -1 65.81 9.41
2 14 -1 68.43 9.72
2 14 -2 209.36 14.20
2 14 -2 239.74 14.35
2 14 -2 152.35 10.21
2 14 -3 132.97 13.82
2 14 -3 122.89 14.21
2 14 -3 113.31 13.98
2 14 -4 8.37 13.74
2 14 -4 5.95 13.70
2 14 -4 2.98 13.62
2 14 -5 20.29 9.60
2 14 -5 23.89 10.16
2 14 -5 36.03 14.18
2 14 -6 36.51 10.22
2 14 -6 43.15 14.57
2 14 -6 36.58 10.54
2 14 -7 172.85 15.53
2 14 -7 204.11 14.92
2 14 -7 168.13 11.19
2 14 -8 -5.19 10.38
2 14 -8 -1.26 15.27
2 14 -8 0.11 10.30
2 14 -9 9.06 15.46
2 14 -9 -4.00 10.64
2 14 -9 4.10 16.47
2 14 -10 2.70 11.91
2 14 -10 -1.35 11.21
2 14 -10 4.17 10.82
2 14 -11 9.03 15.38
2 14 -11 13.71 11.83
2 14 -11 20.05 18.04
2 14 -12 10.19 11.96
2 14 -12 8.85 18.48
2 14 -12 12.06 16.79
2 13 -1 167.72 13.73
2 13 -1 160.81 9.78
2 13 -2 8.52 13.14
2 13 -2 10.58 9.26
2 13 -2 12.75 9.07
2 13 -3 -1.23 9.09
2 13 -3 -2.97 13.20
2 13 -3 4.67 9.31
2 13 -4 5.18 13.12
2 13 -4 -0.50 13.29
2 13 -4 0.78 9.21
2 13 -5 29.38 13.41
2 13 -5 34.38 13.36
2 13 -5 37.49 13.55
2 13 -6 5.67 13.44
2 13 -6 -2.41 9.64
2 13 -6 -7.16 13.27
2 13 -7 13.45 13.69
2 13 -7 3.99 13.96
2 13 -7 6.18 9.84
2 13 -8 2.06 13.88
2 13 -8 2.01 13.96
2 13 -8 5.00 10.36
2 13 -9 11.38 14.28
2 13 -9 12.86 15.88
2 13 -9 8.54 14.48
2 13 -10 6.21 10.30
2 13 -10 12.37 15.76
2 13 -10 1.64 14.34
2 13 -11 4.71 15.58
2 13 -11 8.35 16.79
2 13 -11 -4.00 15.20
2 13 -12 10.03 15.90
2 13 -12 -3.76 16.09
2 13 -12 -1.88 17.31
2 13 -13 1.08 16.79
2 13 -13 9.69 18.15
2 13 -13 6.70 17.05
2 12 -1 3.18 11.76
2 12 -1 1.62 8.68
2 12 -2 13.90 12.40
2 12 -2 -2.59 8.28
2 12 -2 -2.43 12.62
2 12 -3 0.08 8.97
2 12 -3 5.38 12.36
2 12 -3 3.49 12.71
2 12 -4 0.60 8.93
2 12 -4 2.00 8.73
2 12 -4 -1.47 9.36
2 12 -5 5.04 12.94
2 12 -5 8.83 12.70
2 12 -5 8.90 12.99
2 12 -6 45.27 9.49
2 12 -6 40.64 13.08
2 12 -6 36.17 12.97
2 12 -7 1.26 13.50
2 12 -7 2.12 12.83
2 12 -7 1.16 9.30
2 12 -8 72.33 13.49
2 12 -8 84.26 14.23
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2 12 -9 1.74 10.51
2 12 -9 6.91 13.45
2 12 -9 6.29 9.53
2 12 -10 6.45 9.78
2 12 -10 3.36 15.86
2 12 -10 2.39 9.73
2 12 -11 21.57 14.72
2 12 -11 18.73 10.28
2 12 -11 18.40 16.52
2 12 -12 9.54 12.05
2 12 -12 9.98 10.97
2 12 -12 15.03 14.70
2 12 -13 15.39 16.92
2 12 -13 -1.28 15.70
2 12 -13 9.33 11.49
2 12 -14 -7.29 17.90
2 12 -14 9.82 16.74
2 12 -14 -2.76 12.20
2 11 -1 61.11 11.69
2 11 -1 57.47 9.11
2 11 -2 14.96 8.83
2 11 -2 13.26 12.36
2 11 -2 8.93 8.09
2 11 -3 6.32 12.35
2 11 -3 3.44 11.30
2 11 -3 2.66 12.38
2 11 -4 21.09 12.34
2 11 -4 18.35 12.56
2 11 -4 18.60 8.84
2 11 -5 8.24 12.37
2 11 -5 8.75 12.27
2 11 -5 15.44 8.77
2 11 -6 5.64 8.97
2 11 -6 9.49 8.73
2 11 -6 6.01 8.67
2 11 -7 4.92 12.39
2 11 -7 9.17 9.17
2 11 -7 12.01 12.53
2 11 -8 9.10 9.82
2 11 -8 6.75 12.65
2 11 -8 2.66 12.57
2 11 -9 14.56 13.04
2 11 -9 11.28 14.22
2 11 -9 11.09 13.13
2 11 -10 4.02 9.36
2 11 -10 9.03 15.06
2 11 -10 3.66 9.40
2 11 -11 13.29 9.81
2 11 -11 12.18 9.76
2 11 -11 16.17 15.78
2 11 -12 12.23 15.80
2 11 -12 -0.14 14.52
2 11 -12 -3.31 10.28
2 11 -13 9.34 16.66
2 11 -13 21.77 15.14
2 11 -13 12.91 11.03
2 11 -14 12.00 11.04
2 11 -14 7.84 16.36
2 11 -14 17.07 17.36
2 11 -15 7.95 16.90
2 11 -15 10.69 17.55
2 11 -15 2.89 16.29
2 10 -1 7.41 7.81
2 10 -1 4.73 12.01
-2 -10 1 1.40 11.97
2 10 -2 61.15 8.98
2 10 -2 63.94 11.36
2 10 -2 72.84 9.05
2 10 -3 15.52 12.00
2 10 -3 17.03 11.83
2 10 -3 15.43 12.10
2 10 -4 8.87 8.42
2 10 -4 5.89 8.40
2 10 -4 6.67 8.35
2 10 -5 12.31 12.10
2 10 -5 7.25 8.55
2 10 -5 11.44 12.22
2 10 -6 37.73 12.13
2 10 -6 38.16 8.49
2 10 -6 44.72 12.55
2 10 -7 6.66 12.68
2 10 -7 3.67 11.85
2 10 -7 0.57 12.12
2 10 -8 52.52 12.48
2 10 -8 37.67 13.77
2 10 -8 42.65 12.40
2 10 -9 16.20 10.00
2 10 -9 19.67 12.47
2 10 -9 15.81 12.51
2 10 -10 0.72 14.50
2 10 -10 2.02 9.18
2 10 -10 1.03 9.00
2 10 -11 14.90 9.33
2 10 -11 13.58 15.19
2 10 -11 8.05 13.42
2 10 -12 1.22 9.58
2 10 -12 3.47 15.56
2 10 -13 2.19 10.62
2 10 -13 12.86 16.22
2 10 -14 18.01 15.39
2 10 -14 8.13 16.34
2 10 -15 3.24 16.33
2 10 -15 8.43 16.47
2 10 -16 19.71 17.84
2 10 -16 5.09 12.77
-2 -10 16 12.80 12.30
2 9 -1 5.23 11.88
2 9 -1 -0.25 7.73
-2 -9 1 -2.23 11.92
2 9 -2 52.64 11.14
2 9 -2 42.84 8.91
2 9 -2 49.35 8.55
2 9 -3 15.09 11.81
2 9 -3 8.67 7.77
2 9 -3 6.73 8.31
2 9 -4 2.78 8.24
2 9 -4 -1.07 11.23
2 9 -4 1.67 11.64
2 9 -5 -4.20 11.33
2 9 -5 0.43 11.54
2 9 -5 -0.64 8.56
2 9 -6 17.26 11.66
2 9 -6 22.16 12.07
2 9 -6 23.60 11.85
2 9 -7 54.68 12.61
2 9 -7 50.30 12.05
2 9 -7 55.23 11.91
2 9 -8 11.05 8.24
2 9 -8 6.42 12.79
2 9 -8 6.16 11.85
2 9 -9 5.67 8.54
2 9 -9 4.33 8.53
2 9 -9 6.65 13.46
2 9 -10 6.58 12.50
2 9 -10 6.75 14.18
2 9 -11 56.95 14.55
2 9 -11 56.73 13.00
2 9 -12 12.55 13.57
2 9 -12 4.61 15.04
-2 -9 12 10.22 13.31
2 9 -13 1.58 10.73
-2 -9 13 9.99 13.98
2 9 -13 1.44 13.81
2 9 -14 10.60 15.49
2 9 -14 7.28 10.46
-2 -9 14 9.43 14.79
2 9 -15 52.46 16.12
2 9 -15 75.47 16.04
-2 -9 15 71.02 15.81
2 9 -16 13.91 16.53
-2 -9 16 13.54 12.14
2 9 -16 10.67 15.96
2 9 -17 0.14 17.75
2 9 -17 8.68 17.81
-2 -9 17 3.41 17.62
2 8 -1 61.12 8.22
2 8 -1 56.35 11.96
-2 -8 1 62.07 8.69
2 8 -2 66.39 8.16
2 8 -2 57.72 8.78
2 8 -2 56.14 11.80
2 8 -3 3.85 8.00
2 8 -3 6.54 11.59
2 8 -3 9.48 10.91
2 8 -4 22.93 11.11
2 8 -4 24.67 11.40
2 8 -4 22.50 8.08
2 8 -5 88.85 8.78
2 8 -5 86.13 11.90
2 8 -5 94.01 12.14
2 8 -6 1.62 8.45
2 8 -6 2.81 11.55
2 8 -6 5.06 8.01
2 8 -7 3.37 11.37
2 8 -7 0.18 11.94
2 8 -7 3.27 7.97
2 8 -8 24.10 12.65
2 8 -8 21.38 8.25
2 8 -9 183.06 12.50
2 8 -9 170.65 10.69
-2 -8 9 175.74 12.52
2 8 -10 111.66 10.66
-2 -8 10 125.85 9.43
2 8 -10 127.43 9.32
2 8 -11 24.17 9.00
2 8 -11 25.91 14.34
-2 -8 11 20.75 9.09
2 8 -12 91.71 14.83
-2 -8 12 116.50 9.91
2 8 -12 97.69 9.97
2 8 -13 15.73 14.56
2 8 -13 15.51 9.59
-2 -8 13 14.73 9.82
-2 -8 14 6.39 14.30
2 8 -14 10.46 15.03
2 8 -14 7.91 14.20
2 8 -15 20.98 14.76
2 8 -15 11.83 15.46
-2 -8 15 9.31 10.35
2 8 -16 5.83 16.12
-2 -8 16 4.36 15.79
2 8 -16 12.06 15.93
-2 -8 17 3.72 17.30
2 8 -17 4.29 11.38
2 8 -17 8.46 17.03
-2 -7 1 6.69 12.14
2 7 -1 13.97 11.68
2 7 -2 29.68 7.45
2 7 -2 27.75 11.54
2 7 -2 35.28 11.41
2 7 -3 176.13 9.47
2 7 -3 192.28 11.65
2 7 -3 203.46 12.46
2 7 -4 23.19 11.22
2 7 -4 17.33 10.95
2 7 -4 22.88 8.18
2 7 -5 2.27 7.85
2 7 -5 3.11 7.89
2 7 -5 4.13 10.80
2 7 -6 150.68 12.44
2 7 -6 154.72 11.85
2 7 -7 14.85 8.12
2 7 -7 18.31 11.80
-2 -7 7 16.06 8.13
2 7 -8 66.54 8.45
2 7 -8 75.68 13.20
-2 -7 8 79.45 11.68
2 7 -9 28.05 11.63
-2 -7 9 31.49 8.31
2 7 -9 32.37 12.90
2 7 -10 64.68 13.75
-2 -7 10 75.36 12.17
2 7 -10 63.98 8.80
-2 -7 11 251.56 13.44
2 7 -11 209.15 14.65
2 7 -11 246.52 10.03
2 7 -12 141.38 9.73
2 7 -12 117.42 14.29
-2 -7 12 150.80 13.18
2 7 -13 50.03 14.36
2 7 -13 60.56 13.42
-2 -7 13 63.06 13.67
2 7 -14 15.71 14.34
2 7 -14 20.97 13.84
-2 -7 14 18.40 9.84
-2 -7 15 20.49 14.46
2 7 -15 14.33 10.25
2 7 -15 11.45 14.99
2 7 -16 42.18 16.24
2 7 -16 65.75 15.23
-2 -7 16 78.03 15.13
2 7 -17 19.99 16.70
2 7 -17 31.04 15.95
-2 -7 17 21.46 15.95
2 7 -18 36.51 22.11
2 7 -18 40.83 11.88
-2 -7 18 46.53 17.04
-2 -6 1 7.84 11.07
2 6 -1 2.32 7.82
2 6 -2 216.79 12.58
2 6 -2 197.95 9.67
2 6 -3 201.11 9.43
2 6 -3 180.27 12.28
2 6 -3 204.72 12.82
2 6 -4 1.19 8.03
2 6 -4 4.10 10.37
2 6 -4 4.21 11.14
2 6 -5 59.14 11.08
2 6 -5 66.62 11.44
2 6 -6 45.23 11.21
2 6 -6 48.09 7.95
-2 -6 6 49.22 11.18
2 6 -7 45.44 8.46
-2 -6 7 43.43 8.32
2 6 -7 46.03 11.39
2 6 -8 25.20 11.38
2 6 -8 25.95 12.51
-2 -6 8 23.39 11.45
2 6 -9 36.43 12.35
-2 -6 9 31.88 8.28
2 6 -9 30.88 8.31
-2 -6 10 21.15 11.85
2 6 -10 17.30 13.24
2 6 -10 19.80 8.31
2 6 -11 -0.50 13.73
-2 -6 11 2.17 12.10
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-9 1 -1 3.74 12.77
-9 1 -2 41.03 18.11
9 -1 2 55.16 18.29
-9 1 -3 6.74 18.03
9 -1 3 2.83 17.96
-9 1 -4 -3.39 18.57
9 -1 4 -0.90 18.32
9 -1 5 11.02 18.41
9 0 0 26.65 17.63
-9 0 0 13.29 17.69
9 0 1 72.36 18.28
-9 0 -1 53.94 17.66
9 0 2 18.58 18.14
-9 0 -2 11.03 12.57
9 0 3 5.41 17.67
-9 0 -3 6.16 17.60
9 0 4 7.26 12.64
-9 0 -4 6.04 17.79
-9 0 -5 4.71 18.37
9 0 5 4.29 18.15
9 0 6 -1.92 18.70
9 1 0 28.52 17.56
9 1 1 0.62 17.30
9 1 2 8.99 12.64
-9 -1 -2 10.90 17.11
9 1 3 23.59 17.64
-9 -1 -3 14.02 12.39
9 1 4 11.55 17.44
-9 -1 -4 15.86 17.08
9 1 5 2.40 18.09
-9 -1 -5 -2.56 12.70
9 1 6 7.60 18.42
-9 -1 -6 -2.24 12.84
9 2 0 7.09 17.25
9 2 1 1.28 17.27
9 2 2 10.12 17.20
9 2 3 -1.50 12.28
9 2 4 9.59 12.10
-9 -2 -4 -3.27 12.32
9 2 5 19.00 12.89
-9 -2 -5 11.75 12.35
9 2 6 5.51 13.14
-9 -2 -6 2.36 12.59
9 3 0 11.33 17.22
9 3 0 0.56 24.67
9 3 0 -1.41 22.45
9 3 1 -1.15 17.32
9 3 1 5.06 28.52
9 3 1 -0.61 28.20
9 3 2 7.94 37.55
9 3 2 7.22 38.74
9 3 2 9.12 17.37
9 3 3 1.48 17.46
9 3 4 -4.94 17.98
9 3 5 14.40 17.82
9 3 6 2.55 13.03
9 3 7 -5.84 18.25
9 4 0 11.97 17.32
9 4 0 5.10 18.96
9 4 0 6.75 20.84
9 4 1 8.05 12.29
9 4 1 12.84 20.87
9 4 1 10.85 22.87
9 4 2 -1.43 11.83
9 4 2 2.94 20.83
9 4 2 -1.22 21.58
9 4 3 1.74 12.37
9 4 3 2.11 21.55
9 4 3 4.06 25.74
9 4 4 10.20 25.01
9 4 4 9.38 12.35
9 4 4 13.14 23.95
9 4 5 5.02 25.31
9 4 5 2.02 17.88
9 4 5 1.79 24.00
9 4 6 3.68 25.98
9 4 6 7.64 18.48
9 4 6 0.41 26.75
9 4 7 28.64 30.73
9 4 7 27.29 25.14
9 5 0 3.53 17.56
9 5 0 9.89 22.11
9 5 0 4.09 20.85
9 5 1 4.38 17.78
9 5 1 2.47 18.68
9 5 1 5.63 16.62
9 5 2 -0.23 17.69
9 5 2 10.87 22.36
9 5 2 5.83 20.62
9 5 3 3.25 17.83
9 5 3 -2.12 21.42
9 5 3 2.40 22.69
9 5 4 36.35 17.67
9 5 4 36.46 21.46
9 5 4 39.69 22.35
9 5 5 4.18 21.99
9 5 5 7.34 13.33
9 5 5 4.06 20.94
9 5 6 11.25 21.98
9 5 6 7.97 18.54
9 5 6 6.73 21.50
9 6 0 16.92 22.04
9 6 0 13.98 12.77
9 6 0 15.00 21.33
9 6 1 -0.68 12.73
9 6 1 3.16 18.23
9 6 1 3.05 20.97
9 6 2 6.39 13.12
9 6 2 8.28 18.26
9 6 2 4.66 16.89
9 6 3 8.41 18.37
9 6 3 15.71 18.86
9 6 3 16.55 21.04
9 6 4 0.89 18.40
9 6 4 2.78 21.15
9 6 4 4.80 18.53
9 6 5 1.75 13.11
9 6 5 5.68 21.51
9 6 5 1.43 22.64
9 6 6 6.62 22.33
9 6 6 1.01 22.69
9 7 0 8.39 18.22
9 7 0 8.81 18.33
9 7 0 3.22 17.96
9 7 1 3.82 18.74
9 7 1 8.47 22.11
9 7 1 5.41 17.39
9 7 2 1.63 18.18
9 7 2 2.78 17.98
9 7 2 -0.12 16.95
9 7 3 27.20 13.45
9 7 3 37.22 19.10
9 7 3 34.92 21.31
9 7 4 27.74 19.14
9 7 4 28.16 19.01
9 7 4 21.14 17.82
;
_shelx_res_checksum 7305
_shelx_res_file
;
TITL SA21 IPDS2 -100DEGC
CELL 0.71073 7.69550 16.61810 18.22410 79.20600 87.56300 83.97600
ZERR 4 0.00080 0.00200 0.00200 0.00900 0.00900 0.00900
LATT 1
SFAC C H CL F N O
UNIT 109 109 3 4 8 4
TEMP -100
L.S. 7
FMAP 2
PLAN 20
ACTA
BOND $H
CONF
HTAB
EQIV $1 -X, -Y, -Z+1
HTAB N2 O1_$1
HTAB C14 CL1
EQIV $2 X-1, Y-1, Z
HTAB C25 F2_$2
EQIV $3 -X+1, -Y+1, -Z
HTAB N4 O2_$3
EQIV $4 -X+2, -Y+1, -Z+1
HTAB C34 F1_$4
EQIV $5 -X+1, -Y, -Z
HTAB C41 CL2_$5
WGHT 0.049400
EXTI 0.003449
FVAR 0.39036
F1 4 0.783349 0.467739 0.437606 11.00000 0.06992 0.04170 =
0.04720 -0.01526 -0.00376 -0.00413
O1 6 -0.205423 0.000853 0.537544 11.00000 0.03445 0.04369 =
0.04310 -0.02308 0.01460 -0.00941
N1 5 0.453228 -0.075905 0.256457 11.00000 0.02058 0.02857 =
0.02389 -0.00392 0.00342 -0.00273
N2 5 -0.087096 -0.096654 0.474415 11.00000 0.02137 0.02782 =
0.02139 -0.00533 0.00586 -0.00799
H2N 2 0.008671 -0.071245 0.471218 11.00000 0.03354
C2 1 0.756572 0.399297 0.409037 11.00000 0.03355 0.02920 =
0.03784 -0.01429 0.00508 -0.00411
C3 1 0.809234 0.322818 0.449416 11.00000 0.03627 0.04201 =
0.02481 -0.00504 -0.00183 -0.00149
AFIX 43
H3 2 0.862357 0.316902 0.496489 11.00000 -1.20000
AFIX 0
C4 1 0.782604 0.255004 0.419519 11.00000 0.02788 0.03042 =
0.02559 0.00239 0.00037 -0.00002
AFIX 43
H4 2 0.818556 0.201731 0.446766 11.00000 -1.20000
AFIX 0
C5 1 0.704629 0.261841 0.350578 11.00000 0.01433 0.02739 =
0.02717 0.00083 0.00458 -0.00160
C6 1 0.653952 0.341850 0.311977 11.00000 0.02254 0.03418 =
0.02520 -0.00066 -0.00132 0.00053
AFIX 43
H6 2 0.601318 0.348978 0.264678 11.00000 -1.20000
AFIX 0
C7 1 0.679386 0.410187 0.341643 11.00000 0.03131 0.02852 =
0.03261 0.00164 0.00263 0.00088
AFIX 43
H7 2 0.643555 0.463956 0.315409 11.00000 -1.20000
AFIX 0
C8 1 0.674475 0.188623 0.319099 11.00000 0.02242 0.02731 =
0.02077 0.00369 0.00572 -0.00375
C9 1 0.779847 0.114019 0.337801 11.00000 0.02275 0.03208 =
0.03257 0.00074 -0.00102 -0.00134
AFIX 43
H9 2 0.872589 0.110104 0.371464 11.00000 -1.20000
AFIX 0
C10 1 0.751001 0.046037 0.308053 11.00000 0.02391 0.02546 =
0.03247 0.00043 0.00405 0.00126
AFIX 43
H10 2 0.823311 -0.003916 0.322660 11.00000 -1.20000
AFIX 0
C11 1 0.619339 0.048474 0.257370 11.00000 0.01990 0.02936 =
0.02522 0.00080 0.00668 -0.00461
C12 1 0.594322 -0.025445 0.223476 11.00000 0.02244 0.03555 =
0.02877 -0.00470 0.00560 -0.00004
AFIX 23
H12A 2 0.571185 -0.006146 0.169701 11.00000 -1.20000
H12B 2 0.705696 -0.061496 0.227076 11.00000 -1.20000
AFIX 0
C13 1 0.278773 -0.038464 0.235583 11.00000 0.02759 0.03423 =
0.02241 -0.00077 0.00037 -0.00372
AFIX 23
H13A 2 0.274637 -0.020692 0.180660 11.00000 -1.20000
H13B 2 0.250266 0.010765 0.258780 11.00000 -1.20000
AFIX 0
C14 1 0.144746 -0.099953 0.261399 11.00000 0.02547 0.03463 =
0.02409 -0.00377 -0.00083 -0.00088
AFIX 23
H14A 2 0.172828 -0.149283 0.238307 11.00000 -1.20000
H14B 2 0.026639 -0.074761 0.245755 11.00000 -1.20000
AFIX 0
C15 1 0.148169 -0.124604 0.346400 11.00000 0.02622 0.02174 =
0.02215 -0.00363 0.00207 -0.00382
AFIX 13
H15 2 0.124413 -0.072956 0.367363 11.00000 -1.20000
AFIX 0
C16 1 0.011815 -0.181777 0.380469 11.00000 0.02074 0.02535 =
0.01908 -0.00216 -0.00236 -0.00262
C17 1 -0.096409 -0.167650 0.441647 11.00000 0.02197 0.02229 =
0.02338 -0.00281 -0.00492 -0.00118
C18 1 -0.216881 -0.064706 0.515500 11.00000 0.02370 0.03290 =
0.02365 -0.00511 0.00286 -0.00307
C19 1 -0.373211 -0.111995 0.533511 11.00000 0.02359 0.03880 =
0.02898 -0.00765 0.00764 -0.00570
AFIX 23
H19A 2 -0.459214 -0.094255 0.493348 11.00000 -1.20000
H19B 2 -0.429315 -0.100307 0.580795 11.00000 -1.20000
AFIX 0
C20 1 -0.320213 -0.203881 0.541195 11.00000 0.03142 0.03735 =
0.03020 -0.00020 0.00855 -0.01059
AFIX 23
H20A 2 -0.250043 -0.223278 0.586542 11.00000 -1.20000
H20B 2 -0.426293 -0.233648 0.547017 11.00000 -1.20000
AFIX 0
C21 1 -0.215887 -0.222717 0.474332 11.00000 0.02267 0.02939 =
0.02129 0.00109 -0.00073 -0.00574
C22 1 -0.229603 -0.292387 0.444205 11.00000 0.03027 0.03205 =
0.03392 -0.00120 -0.00292 -0.01292
AFIX 43
H22 2 -0.311799 -0.329665 0.465125 11.00000 -1.20000
AFIX 0
C23 1 -0.125005 -0.308075 0.384135 11.00000 0.04279 0.02849 =
0.03888 -0.00940 -0.00182 -0.00990
AFIX 43
H23 2 -0.134255 -0.356180 0.364016 11.00000 -1.20000
AFIX 0
C24 1 -0.005907 -0.253007 0.353212 11.00000 0.03371 0.03447 =
0.02872 -0.00876 -0.00017 -0.00470
AFIX 43
H24 2 0.065835 -0.264548 0.311986 11.00000 -1.20000
AFIX 0
C25 1 0.333798 -0.161330 0.367969 11.00000 0.02976 0.02938 =
0.02802 0.00270 -0.00397 -0.00417
AFIX 23
H25A 2 0.340693 -0.174960 0.423093 11.00000 -1.20000
H25B 2 0.361265 -0.212955 0.348286 11.00000 -1.20000
AFIX 0
C26 1 0.467928 -0.101618 0.337154 11.00000 0.02617 0.02841 =
0.02606 0.00405 -0.00071 -0.00365
AFIX 23
H26A 2 0.449243 -0.052682 0.361316 11.00000 -1.20000
H26B 2 0.586997 -0.128500 0.348926 11.00000 -1.20000
AFIX 0
C27 1 0.513808 0.122677 0.239431 11.00000 0.02492 0.03536 =
0.02426 0.00282 -0.00079 -0.00230
AFIX 43
H27 2 0.421720 0.126542 0.205458 11.00000 -1.20000
AFIX 0
C28 1 0.539571 0.190867 0.269776 11.00000 0.02439 0.02796 =
0.02335 0.00226 0.00046 0.00004
AFIX 43
H28 2 0.463947 0.240057 0.256744 11.00000 -1.20000
AFIX 0
F2 4 1.361714 0.625443 0.385675 11.00000 0.07760 0.04166 =
0.06241 -0.02145 0.00629 -0.01256
O2 6 0.287716 0.540269 -0.013628 11.00000 0.02995 0.02773 =
0.06009 -0.02071 -0.00854 0.00200
N3 5 0.977051 0.201691 0.054224 11.00000 0.02415 0.02503 =
0.02848 0.00114 0.00102 0.00091
N4 5 0.409600 0.429112 -0.057953 11.00000 0.01981 0.02086 =
0.02791 -0.00418 -0.00490 -0.00037
H4N 2 0.502392 0.431102 -0.034378 11.00000 0.02192
C29 1 1.318823 0.568941 0.346159 11.00000 0.04254 0.03295 =
0.05009 -0.01581 0.00320 -0.00226
C30 1 1.344009 0.584124 0.270026 11.00000 0.03412 0.02843 =
0.05238 -0.00268 0.00150 0.00117
AFIX 43
H30 2 1.386350 0.634051 0.245236 11.00000 -1.20000
AFIX 0
C31 1 1.306428 0.525149 0.230025 11.00000 0.02799 0.02889 =
0.03340 0.00595 0.00200 0.00018
AFIX 43
H31 2 1.323534 0.535150 0.177292 11.00000 -1.20000
AFIX 0
C32 1 1.243747 0.451053 0.265522 11.00000 0.02284 0.03031 =
0.02774 0.00090 0.00244 0.00289
C33 1 1.217470 0.440660 0.342835 11.00000 0.03794 0.03077 =
0.03661 0.00108 0.00880 -0.00489
AFIX 43
H33 2 1.172073 0.391781 0.368365 11.00000 -1.20000
AFIX 0
C34 1 1.254568 0.498227 0.383545 11.00000 0.05266 0.03735 =
0.03655 -0.01124 0.00914 -0.00141
AFIX 43
H34 2 1.236209 0.489301 0.436205 11.00000 -1.20000
AFIX 0
C35 1 1.208823 0.386390 0.223192 11.00000 0.01880 0.03063 =
0.02675 0.00617 0.00071 0.00309
C36 1 1.292262 0.379955 0.154664 11.00000 0.02619 0.02891 =
0.03083 0.00160 0.00476 -0.00311
AFIX 43
H36 2 1.370821 0.418994 0.133662 11.00000 -1.20000
AFIX 0
C37 1 1.263388 0.318270 0.116705 11.00000 0.02565 0.03532 =
0.02420 0.00244 0.00351 0.00245
AFIX 43
H37 2 1.321234 0.316304 0.069880 11.00000 -1.20000
AFIX 0
C38 1 1.150966 0.258632 0.145600 11.00000 0.01758 0.02969 =
0.03099 0.00481 -0.00364 0.00268
C39 1 1.125152 0.189530 0.104793 11.00000 0.02427 0.03265 =
0.02975 -0.00050 -0.00029 0.00346
AFIX 23
H39A 2 1.233371 0.178729 0.075365 11.00000 -1.20000
H39B 2 1.111690 0.139292 0.142652 11.00000 -1.20000
AFIX 0
C40 1 0.806584 0.200817 0.092545 11.00000 0.02363 0.02765 =
0.02900 0.00376 0.00376 -0.00230
AFIX 23
H40A 2 0.784963 0.249388 0.117095 11.00000 -1.20000
H40B 2 0.805775 0.150752 0.131716 11.00000 -1.20000
AFIX 0
C41 1 0.663300 0.202121 0.038047 11.00000 0.02716 0.02618 =
0.03353 -0.00068 0.00456 -0.00104
AFIX 23
H41A 2 0.548956 0.200431 0.065030 11.00000 -1.20000
H41B 2 0.683356 0.153049 0.014116 11.00000 -1.20000
AFIX 0
C42 1 0.660887 0.280313 -0.021800 11.00000 0.02593 0.01735 =
0.03273 -0.00448 -0.00175 0.00136
AFIX 13
H42 2 0.642493 0.328358 0.004453 11.00000 -1.20000
AFIX 0
C43 1 0.516897 0.290272 -0.078194 11.00000 0.02546 0.02114 =
0.02996 -0.00612 0.00077 -0.00331
C44 1 0.400132 0.361892 -0.094893 11.00000 0.02245 0.02480 =
0.01973 -0.00505 0.00532 -0.00581
C45 1 0.273565 0.487455 -0.051822 11.00000 0.02745 0.01987 =
0.03119 -0.00155 0.00218 -0.00116
C46 1 0.113465 0.483806 -0.093041 11.00000 0.02434 0.02684 =
0.03764 -0.00637 -0.00483 0.00196
AFIX 23
H46A 2 0.051200 0.539676 -0.105501 11.00000 -1.20000
H46B 2 0.034760 0.448044 -0.060779 11.00000 -1.20000
AFIX 0
C47 1 0.157031 0.450467 -0.164403 11.00000 0.03107 0.03641 =
0.02825 0.00246 -0.00590 -0.00025
AFIX 23
H47A 2 0.047729 0.441350 -0.187028 11.00000 -1.20000
H47B 2 0.216975 0.491280 -0.200595 11.00000 -1.20000
AFIX 0
C48 1 0.273321 0.370452 -0.148471 11.00000 0.02318 0.02988 =
0.01953 -0.00383 0.00251 -0.00257
C49 1 0.257851 0.306594 -0.186007 11.00000 0.03424 0.04545 =
0.03061 -0.01304 -0.00459 -0.00649
AFIX 43
H49 2 0.168803 0.311262 -0.221532 11.00000 -1.20000
AFIX 0
C50 1 0.372942 0.235645 -0.171576 11.00000 0.04499 0.03761 =
0.04542 -0.02355 -0.00184 -0.00445
AFIX 43
H50 2 0.365049 0.192248 -0.198224 11.00000 -1.20000
AFIX 0
C51 1 0.498669 0.228417 -0.118452 11.00000 0.03565 0.03114 =
0.04500 -0.01528 -0.00279 0.00178
AFIX 43
H51 2 0.575845 0.179321 -0.108956 11.00000 -1.20000
AFIX 0
C52 1 0.842193 0.282306 -0.060147 11.00000 0.02912 0.03499 =
0.03526 0.00271 -0.00140 -0.00366
AFIX 23
H52A 2 0.863940 0.235855 -0.087406 11.00000 -1.20000
H52B 2 0.845981 0.334180 -0.096909 11.00000 -1.20000
AFIX 0
C53 1 0.983476 0.276262 -0.003408 11.00000 0.02580 0.03535 =
0.03054 0.00802 -0.00019 -0.00440
AFIX 23
H53A 2 1.099401 0.275171 -0.029128 11.00000 -1.20000
H53B 2 0.967972 0.325413 0.020520 11.00000 -1.20000
AFIX 0
C54 1 1.066825 0.265113 0.213712 11.00000 0.02528 0.03684 =
0.02841 0.00214 0.00608 -0.00864
AFIX 43
H54 2 0.988922 0.225812 0.234832 11.00000 -1.20000
AFIX 0
C55 1 1.094063 0.327255 0.251140 11.00000 0.02586 0.04035 =
0.02787 -0.00103 0.00511 -0.00423
AFIX 43
H55 2 1.033298 0.330084 0.297208 11.00000 -1.20000
AFIX 0
CL1 3 -0.013211 -0.035112 0.079149 11.00000 0.15677 0.10403 =
0.07548 -0.00628 -0.00639 -0.01217
CL2 3 0.309568 0.020010 0.008088 10.50000 0.15712 0.08266 =
0.08605 -0.03920 0.00290 0.00111
C61 1 0.079896 0.045571 -0.001382 10.50000 0.05529 0.07401 =
0.06465 -0.02687 -0.04654 0.03815
AFIX 13
H61 2 0.045818 0.102784 0.007448 10.50000 -1.20000
AFIX 0
HKLF 4
REM SA21 IPDS2 -100DEGC
REM R1 = 0.0499 for 3481 Fo > 4sig(Fo) and 0.1212 for all 8614 data
REM 595 parameters refined using 0 restraints
END
WGHT 0.0494 0.0000
REM Instructions for potential hydrogen bonds
HTAB N2 O1_$1
HTAB N4 O2_$3
HTAB C34 F1_$4
HTAB C41 Cl2_$5
EQIV $6 x-1, y, z
HTAB C61 N3_$6
REM Highest difference peak 0.628, deepest hole -0.604, 1-sigma level 0.051
Q1 1 0.5000 0.0000 0.0000 10.50000 0.05 0.63
Q2 1 0.4160 -0.0151 0.0473 11.00000 0.05 0.51
Q3 1 0.1255 0.0795 -0.0492 11.00000 0.05 0.43
Q4 1 0.1176 0.0395 0.0216 11.00000 0.05 0.24
Q5 1 -0.0617 0.0264 0.0124 11.00000 0.05 0.21
Q6 1 0.7518 0.1645 0.3120 11.00000 0.05 0.17
Q7 1 0.0266 0.0818 0.0184 11.00000 0.05 0.16
Q8 1 0.2284 0.4009 -0.1578 11.00000 0.05 0.15
Q9 1 -0.1957 -0.1912 0.4500 11.00000 0.05 0.15
Q10 1 0.9830 0.1631 0.0256 11.00000 0.05 0.15
Q11 1 1.2966 0.4362 0.2986 11.00000 0.05 0.15
Q12 1 0.7318 0.2273 0.3339 11.00000 0.05 0.14
Q13 1 0.3317 0.3596 -0.1156 11.00000 0.05 0.14
Q14 1 -0.3658 -0.3047 0.3794 11.00000 0.05 0.14
Q15 1 0.8636 0.1210 0.3510 11.00000 0.05 0.14
Q16 1 0.6803 0.3810 0.3867 11.00000 0.05 0.14
Q17 1 0.7726 0.2579 0.3695 11.00000 0.05 0.14
Q18 1 1.2221 0.5628 0.2915 11.00000 0.05 0.14
Q19 1 0.7111 0.2957 0.3401 11.00000 0.05 0.14
Q20 1 0.5945 0.2773 -0.0523 11.00000 0.05 0.14
;
_shelxl_version_number 2.013
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_disorder_group
_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
. F F1 0.7833(3) 0.46774(11) 0.43761(10) 0.0520(6) Uani d 1
. O O1 -0.2054(3) 0.00085(13) 0.53754(12) 0.0385(6) Uani d 1
. N N1 0.4532(3) -0.07591(14) 0.25646(12) 0.0246(6) Uani d 1
. N N2 -0.0871(3) -0.09665(15) 0.47441(13) 0.0232(6) Uani d 1
. H H2N 0.009(4) -0.0712(18) 0.4712(16) 0.034(9) Uiso d 1
. C C2 0.7566(4) 0.39930(19) 0.40904(18) 0.0326(8) Uani d 1
. C C3 0.8092(4) 0.32282(19) 0.44942(17) 0.0346(8) Uani d 1
. H H3 0.8624 0.3169 0.4965 0.042 Uiso calc 1
. C C4 0.7826(4) 0.25500(19) 0.41952(16) 0.0292(8) Uani d 1
. H H4 0.8186 0.2017 0.4468 0.035 Uiso calc 1
. C C5 0.7046(4) 0.26184(17) 0.35058(16) 0.0239(7) Uani d 1
. C C6 0.6540(4) 0.34185(18) 0.31198(16) 0.0282(7) Uani d 1
. H H6 0.6013 0.3490 0.2647 0.034 Uiso calc 1
. C C7 0.6794(4) 0.41019(19) 0.34164(17) 0.0321(8) Uani d 1
. H H7 0.6436 0.4640 0.3154 0.039 Uiso calc 1
. C C8 0.6745(4) 0.18862(17) 0.31910(15) 0.0246(7) Uani d 1
. C C9 0.7798(4) 0.11402(18) 0.33780(16) 0.0301(8) Uani d 1
. H H9 0.8726 0.1101 0.3715 0.036 Uiso calc 1
. C C10 0.7510(4) 0.04604(18) 0.30805(16) 0.0284(7) Uani d 1
. H H10 0.8233 -0.0039 0.3227 0.034 Uiso calc 1
. C C11 0.6193(4) 0.04847(18) 0.25737(16) 0.0256(7) Uani d 1
. C C12 0.5943(4) -0.02544(18) 0.22348(16) 0.0295(8) Uani d 1
. H H12A 0.5712 -0.0061 0.1697 0.035 Uiso calc 1
. H H12B 0.7057 -0.0615 0.2271 0.035 Uiso calc 1
. C C13 0.2788(4) -0.03846(18) 0.23558(16) 0.0286(7) Uani d 1
. H H13A 0.2746 -0.0207 0.1807 0.034 Uiso calc 1
. H H13B 0.2503 0.0108 0.2588 0.034 Uiso calc 1
. C C14 0.1447(4) -0.09995(18) 0.26140(15) 0.0284(7) Uani d 1
. H H14A 0.1728 -0.1493 0.2383 0.034 Uiso calc 1
. H H14B 0.0266 -0.0748 0.2458 0.034 Uiso calc 1
. C C15 0.1482(4) -0.12460(17) 0.34640(15) 0.0234(7) Uani d 1
. H H15 0.1244 -0.0730 0.3674 0.028 Uiso calc 1
. C C16 0.0118(4) -0.18178(17) 0.38047(15) 0.0219(7) Uani d 1
. C C17 -0.0964(4) -0.16765(17) 0.44165(15) 0.0227(7) Uani d 1
. C C18 -0.2169(4) -0.06471(19) 0.51550(16) 0.0268(7) Uani d 1
. C C19 -0.3732(4) -0.11199(18) 0.53351(17) 0.0303(8) Uani d 1
. H H19A -0.4592 -0.0943 0.4933 0.036 Uiso calc 1
. H H19B -0.4293 -0.1003 0.5808 0.036 Uiso calc 1
. C C20 -0.3202(4) -0.20388(18) 0.54119(17) 0.0335(8) Uani d 1
. H H20A -0.2500 -0.2233 0.5865 0.040 Uiso calc 1
. H H20B -0.4263 -0.2336 0.5470 0.040 Uiso calc 1
. C C21 -0.2159(4) -0.22272(18) 0.47433(15) 0.0250(7) Uani d 1
. C C22 -0.2296(4) -0.29239(19) 0.44420(17) 0.0319(8) Uani d 1
. H H22 -0.3118 -0.3297 0.4651 0.038 Uiso calc 1
. C C23 -0.1250(4) -0.30808(19) 0.38413(17) 0.0358(8) Uani d 1
. H H23 -0.1343 -0.3562 0.3640 0.043 Uiso calc 1
. C C24 -0.0059(4) -0.25301(18) 0.35321(17) 0.0318(8) Uani d 1
. H H24 0.0658 -0.2645 0.3120 0.038 Uiso calc 1
. C C25 0.3338(4) -0.16133(18) 0.36797(16) 0.0299(8) Uani d 1
. H H25A 0.3407 -0.1750 0.4231 0.036 Uiso calc 1
. H H25B 0.3613 -0.2130 0.3483 0.036 Uiso calc 1
. C C26 0.4679(4) -0.10162(18) 0.33715(15) 0.0280(7) Uani d 1
. H H26A 0.4492 -0.0527 0.3613 0.034 Uiso calc 1
. H H26B 0.5870 -0.1285 0.3489 0.034 Uiso calc 1
. C C27 0.5138(4) 0.12268(18) 0.23943(16) 0.0293(8) Uani d 1
. H H27 0.4217 0.1265 0.2055 0.035 Uiso calc 1
. C C28 0.5396(4) 0.19087(18) 0.26978(15) 0.0264(7) Uani d 1
. H H28 0.4639 0.2401 0.2567 0.032 Uiso calc 1
. F F2 1.3617(3) 0.62544(12) 0.38567(11) 0.0588(6) Uani d 1
. O O2 0.2877(3) 0.54027(12) -0.01363(13) 0.0377(6) Uani d 1
. N N3 0.9771(3) 0.20169(14) 0.05422(13) 0.0270(6) Uani d 1
. N N4 0.4096(3) 0.42911(14) -0.05795(14) 0.0229(6) Uani d 1
. H H4N 0.502(4) 0.4311(17) -0.0344(15) 0.022(8) Uiso d 1
. C C29 1.3188(5) 0.5689(2) 0.3462(2) 0.0410(9) Uani d 1
. C C30 1.3440(4) 0.5841(2) 0.27003(19) 0.0393(9) Uani d 1
. H H30 1.3864 0.6341 0.2452 0.047 Uiso calc 1
. C C31 1.3064(4) 0.52515(18) 0.23002(17) 0.0319(8) Uani d 1
. H H31 1.3235 0.5351 0.1773 0.038 Uiso calc 1
. C C32 1.2437(4) 0.45105(18) 0.26552(16) 0.0283(7) Uani d 1
. C C33 1.2175(4) 0.44066(19) 0.34284(18) 0.0362(8) Uani d 1
. H H33 1.1721 0.3918 0.3684 0.043 Uiso calc 1
. C C34 1.2546(5) 0.4982(2) 0.38355(19) 0.0421(9) Uani d 1
. H H34 1.2362 0.4893 0.4362 0.051 Uiso calc 1
. C C35 1.2088(4) 0.38639(18) 0.22319(16) 0.0273(7) Uani d 1
. C C36 1.2923(4) 0.37995(18) 0.15466(16) 0.0297(8) Uani d 1
. H H36 1.3708 0.4190 0.1337 0.036 Uiso calc 1
. C C37 1.2634(4) 0.31827(18) 0.11671(16) 0.0299(8) Uani d 1
. H H37 1.3212 0.3163 0.0699 0.036 Uiso calc 1
. C C38 1.1510(4) 0.25863(18) 0.14560(16) 0.0277(7) Uani d 1
. C C39 1.1252(4) 0.18953(18) 0.10479(16) 0.0300(8) Uani d 1
. H H39A 1.2334 0.1787 0.0754 0.036 Uiso calc 1
. H H39B 1.1117 0.1393 0.1427 0.036 Uiso calc 1
. C C40 0.8066(4) 0.20082(18) 0.09254(16) 0.0281(7) Uani d 1
. H H40A 0.7850 0.2494 0.1171 0.034 Uiso calc 1
. H H40B 0.8058 0.1508 0.1317 0.034 Uiso calc 1
. C C41 0.6633(4) 0.20212(18) 0.03805(16) 0.0298(7) Uani d 1
. H H41A 0.5490 0.2004 0.0650 0.036 Uiso calc 1
. H H41B 0.6834 0.1530 0.0141 0.036 Uiso calc 1
. C C42 0.6609(4) 0.28031(17) -0.02180(16) 0.0256(7) Uani d 1
. H H42 0.6425 0.3284 0.0045 0.031 Uiso calc 1
. C C43 0.5169(4) 0.29027(17) -0.07819(16) 0.0253(7) Uani d 1
. C C44 0.4001(4) 0.36189(17) -0.09489(15) 0.0221(7) Uani d 1
. C C45 0.2736(4) 0.48745(18) -0.05182(16) 0.0268(7) Uani d 1
. C C46 0.1135(4) 0.48381(18) -0.09304(16) 0.0298(8) Uani d 1
. H H46A 0.0512 0.5397 -0.1055 0.036 Uiso calc 1
. H H46B 0.0348 0.4480 -0.0608 0.036 Uiso calc 1
. C C47 0.1570(4) 0.45047(18) -0.16440(16) 0.0331(8) Uani d 1
. H H47A 0.0477 0.4413 -0.1870 0.040 Uiso calc 1
. H H47B 0.2170 0.4913 -0.2006 0.040 Uiso calc 1
. C C48 0.2733(4) 0.37045(18) -0.14847(15) 0.0244(7) Uani d 1
. C C49 0.2579(4) 0.3066(2) -0.18601(17) 0.0357(8) Uani d 1
. H H49 0.1688 0.3113 -0.2215 0.043 Uiso calc 1
. C C50 0.3729(5) 0.2356(2) -0.17158(18) 0.0406(9) Uani d 1
. H H50 0.3650 0.1922 -0.1982 0.049 Uiso calc 1
. C C51 0.4987(4) 0.22842(19) -0.11845(18) 0.0365(8) Uani d 1
. H H51 0.5758 0.1793 -0.1090 0.044 Uiso calc 1
. C C52 0.8422(4) 0.28231(19) -0.06015(17) 0.0343(8) Uani d 1
. H H52A 0.8639 0.2359 -0.0874 0.041 Uiso calc 1
. H H52B 0.8460 0.3342 -0.0969 0.041 Uiso calc 1
. C C53 0.9835(4) 0.27626(19) -0.00341(16) 0.0323(8) Uani d 1
. H H53A 1.0994 0.2752 -0.0291 0.039 Uiso calc 1
. H H53B 0.9680 0.3254 0.0205 0.039 Uiso calc 1
. C C54 1.0668(4) 0.26511(19) 0.21371(16) 0.0310(8) Uani d 1
. H H54 0.9889 0.2258 0.2348 0.037 Uiso calc 1
. C C55 1.0941(4) 0.32725(19) 0.25114(17) 0.0321(8) Uani d 1
. H H55 1.0333 0.3301 0.2972 0.039 Uiso calc 1
. Cl Cl1 -0.0132(2) -0.03511(9) 0.07915(8) 0.1134(6) Uani d 1
-1 Cl Cl2 0.3096(5) 0.02001(16) 0.00809(15) 0.1066(10) Uani d 0.5
-1 C C61 0.0799(10) 0.0456(5) -0.0014(4) 0.065(3) Uani d 0.5
-1 H H61 0.0458 0.1028 0.0074 0.078 Uiso calc 0.5
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
F1 0.0699(16) 0.0417(12) 0.0472(12) -0.0041(11) -0.0038(11) -0.0153(9)
O1 0.0344(15) 0.0437(14) 0.0431(13) -0.0094(11) 0.0146(11) -0.0231(11)
N1 0.0206(15) 0.0286(14) 0.0239(13) -0.0027(11) 0.0034(11) -0.0039(11)
N2 0.0214(16) 0.0278(14) 0.0214(13) -0.0080(12) 0.0059(12) -0.0053(11)
C2 0.034(2) 0.0292(18) 0.0378(19) -0.0041(15) 0.0051(16) -0.0143(15)
C3 0.036(2) 0.042(2) 0.0248(17) -0.0015(17) -0.0018(15) -0.0050(15)
C4 0.028(2) 0.0304(18) 0.0256(17) 0.0000(15) 0.0004(15) 0.0024(14)
C5 0.0143(17) 0.0274(17) 0.0272(16) -0.0016(13) 0.0046(13) 0.0008(13)
C6 0.0225(19) 0.0342(18) 0.0252(16) 0.0005(14) -0.0013(14) -0.0007(14)
C7 0.031(2) 0.0285(18) 0.0326(18) 0.0009(15) 0.0026(16) 0.0016(14)
C8 0.0224(18) 0.0273(17) 0.0208(16) -0.0038(14) 0.0057(14) 0.0037(13)
C9 0.0227(19) 0.0321(18) 0.0326(18) -0.0013(15) -0.0010(15) 0.0007(14)
C10 0.0239(19) 0.0255(17) 0.0325(18) 0.0013(14) 0.0040(15) 0.0004(14)
C11 0.0199(18) 0.0294(17) 0.0252(16) -0.0046(14) 0.0067(14) 0.0008(13)
C12 0.0224(19) 0.0355(18) 0.0288(17) 0.0000(15) 0.0056(14) -0.0047(14)
C13 0.0276(19) 0.0342(18) 0.0224(16) -0.0037(15) 0.0004(14) -0.0008(13)
C14 0.0255(19) 0.0346(18) 0.0241(16) -0.0009(15) -0.0008(14) -0.0038(13)
C15 0.0262(19) 0.0217(16) 0.0221(15) -0.0038(14) 0.0021(14) -0.0036(12)
C16 0.0207(18) 0.0253(16) 0.0191(15) -0.0026(13) -0.0024(13) -0.0022(13)
C17 0.0220(18) 0.0223(16) 0.0234(16) -0.0012(13) -0.0049(14) -0.0028(13)
C18 0.0237(19) 0.0329(18) 0.0237(16) -0.0031(15) 0.0029(14) -0.0051(14)
C19 0.0236(19) 0.0388(19) 0.0290(17) -0.0057(15) 0.0076(14) -0.0076(14)
C20 0.031(2) 0.0373(19) 0.0302(18) -0.0106(16) 0.0086(15) -0.0002(14)
C21 0.0227(19) 0.0294(17) 0.0213(16) -0.0057(14) -0.0007(14) 0.0011(13)
C22 0.030(2) 0.0321(19) 0.0339(18) -0.0129(15) -0.0029(16) -0.0012(15)
C23 0.043(2) 0.0285(18) 0.039(2) -0.0099(16) -0.0018(17) -0.0094(15)
C24 0.034(2) 0.0345(19) 0.0287(17) -0.0047(16) -0.0002(15) -0.0088(15)
C25 0.030(2) 0.0294(17) 0.0280(17) -0.0042(15) -0.0040(15) 0.0027(13)
C26 0.0262(19) 0.0284(17) 0.0261(16) -0.0036(14) -0.0007(14) 0.0041(13)
C27 0.025(2) 0.0354(19) 0.0243(16) -0.0023(15) -0.0008(14) 0.0028(14)
C28 0.0244(19) 0.0280(17) 0.0234(16) 0.0000(14) 0.0005(14) 0.0023(13)
F2 0.0776(17) 0.0417(12) 0.0624(14) -0.0126(11) 0.0063(12) -0.0215(11)
O2 0.0299(14) 0.0277(12) 0.0601(15) 0.0020(10) -0.0085(12) -0.0207(12)
N3 0.0241(15) 0.0250(14) 0.0285(14) 0.0009(12) 0.0010(12) 0.0011(11)
N4 0.0198(16) 0.0209(14) 0.0279(14) -0.0004(12) -0.0049(12) -0.0042(11)
C29 0.043(2) 0.033(2) 0.050(2) -0.0023(17) 0.0032(18) -0.0158(17)
C30 0.034(2) 0.0284(18) 0.052(2) 0.0012(16) 0.0015(18) -0.0027(17)
C31 0.028(2) 0.0289(18) 0.0334(18) 0.0002(15) 0.0020(15) 0.0059(15)
C32 0.0228(19) 0.0303(17) 0.0277(17) 0.0029(14) 0.0024(14) 0.0009(14)
C33 0.038(2) 0.0308(18) 0.0366(19) -0.0049(16) 0.0088(16) 0.0011(15)
C34 0.053(3) 0.037(2) 0.037(2) -0.0014(18) 0.0091(18) -0.0112(17)
C35 0.0188(18) 0.0306(18) 0.0267(17) 0.0031(14) 0.0007(14) 0.0062(14)
C36 0.026(2) 0.0289(17) 0.0308(18) -0.0031(15) 0.0048(15) 0.0016(14)
C37 0.0256(19) 0.0353(19) 0.0242(16) 0.0025(15) 0.0035(14) 0.0024(14)
C38 0.0176(18) 0.0297(18) 0.0310(18) 0.0027(14) -0.0036(14) 0.0048(14)
C39 0.0243(19) 0.0326(18) 0.0297(17) 0.0035(15) -0.0003(15) -0.0005(14)
C40 0.0236(19) 0.0277(17) 0.0290(17) -0.0023(14) 0.0038(14) 0.0038(13)
C41 0.0272(19) 0.0262(17) 0.0335(17) -0.0010(14) 0.0046(15) -0.0007(13)
C42 0.0259(19) 0.0174(15) 0.0327(17) 0.0014(14) -0.0017(15) -0.0045(13)
C43 0.0255(19) 0.0211(16) 0.0300(17) -0.0033(14) 0.0008(14) -0.0061(13)
C44 0.0225(18) 0.0248(16) 0.0197(15) -0.0058(14) 0.0053(13) -0.0050(12)
C45 0.027(2) 0.0199(16) 0.0312(17) -0.0012(14) 0.0022(15) -0.0016(14)
C46 0.0243(19) 0.0268(17) 0.0376(18) 0.0020(14) -0.0048(15) -0.0064(14)
C47 0.031(2) 0.0364(19) 0.0283(17) -0.0003(15) -0.0059(15) 0.0025(14)
C48 0.0232(19) 0.0299(17) 0.0195(15) -0.0026(14) 0.0025(14) -0.0038(13)
C49 0.034(2) 0.045(2) 0.0306(18) -0.0065(17) -0.0046(16) -0.0130(16)
C50 0.045(2) 0.038(2) 0.045(2) -0.0045(18) -0.0018(18) -0.0236(17)
C51 0.036(2) 0.0311(19) 0.045(2) 0.0018(16) -0.0028(17) -0.0153(16)
C52 0.029(2) 0.0350(19) 0.0353(19) -0.0037(15) -0.0014(16) 0.0027(14)
C53 0.0258(19) 0.0354(18) 0.0305(18) -0.0044(15) -0.0002(15) 0.0080(14)
C54 0.025(2) 0.0368(19) 0.0284(17) -0.0086(15) 0.0061(15) 0.0021(15)
C55 0.026(2) 0.040(2) 0.0279(17) -0.0042(16) 0.0051(15) -0.0010(15)
Cl1 0.1568(15) 0.1040(11) 0.0755(9) -0.0122(10) -0.0064(9) -0.0063(8)
Cl2 0.157(3) 0.0827(18) 0.0861(18) 0.0011(19) 0.0029(19) -0.0392(14)
C61 0.055(6) 0.074(6) 0.065(5) 0.038(5) -0.047(5) -0.027(4)
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C13 N1 C26 . 112.0(2)
C13 N1 C12 . 113.8(2)
C26 N1 C12 . 112.2(2)
C18 N2 C17 . 124.3(3)
C18 N2 H2N . 114(2)
C17 N2 H2N . 122(2)
C7 C2 F1 . 118.5(3)
C7 C2 C3 . 122.7(3)
F1 C2 C3 . 118.8(3)
C2 C3 C4 . 117.9(3)
C2 C3 H3 . 121.0
C4 C3 H3 . 121.0
C3 C4 C5 . 122.3(3)
C3 C4 H4 . 118.9
C5 C4 H4 . 118.9
C4 C5 C6 . 117.0(3)
C4 C5 C8 . 122.0(3)
C6 C5 C8 . 121.0(3)
C7 C6 C5 . 121.1(3)
C7 C6 H6 . 119.4
C5 C6 H6 . 119.4
C2 C7 C6 . 118.9(3)
C2 C7 H7 . 120.5
C6 C7 H7 . 120.5
C28 C8 C9 . 117.1(3)
C28 C8 C5 . 121.4(3)
C9 C8 C5 . 121.5(3)
C10 C9 C8 . 121.1(3)
C10 C9 H9 . 119.5
C8 C9 H9 . 119.5
C9 C10 C11 . 122.1(3)
C9 C10 H10 . 119.0
C11 C10 H10 . 119.0
C10 C11 C27 . 116.6(3)
C10 C11 C12 . 121.2(3)
C27 C11 C12 . 122.2(3)
N1 C12 C11 . 116.8(2)
N1 C12 H12A . 108.1
C11 C12 H12A . 108.1
N1 C12 H12B . 108.1
C11 C12 H12B . 108.1
H12A C12 H12B . 107.3
N1 C13 C14 . 110.1(2)
N1 C13 H13A . 109.6
C14 C13 H13A . 109.6
N1 C13 H13B . 109.6
C14 C13 H13B . 109.6
H13A C13 H13B . 108.1
C13 C14 C15 . 109.1(2)
C13 C14 H14A . 109.9
C15 C14 H14A . 109.9
C13 C14 H14B . 109.9
C15 C14 H14B . 109.9
H14A C14 H14B . 108.3
C16 C15 C14 . 114.7(2)
C16 C15 C25 . 111.9(2)
C14 C15 C25 . 108.0(2)
C16 C15 H15 . 107.3
C14 C15 H15 . 107.3
C25 C15 H15 . 107.3
C24 C16 C17 . 116.7(3)
C24 C16 C15 . 120.5(3)
C17 C16 C15 . 122.8(3)
C21 C17 C16 . 122.0(3)
C21 C17 N2 . 116.8(3)
C16 C17 N2 . 121.1(3)
O1 C18 N2 . 120.9(3)
O1 C18 C19 . 122.0(3)
N2 C18 C19 . 117.0(3)
C18 C19 C20 . 110.5(3)
C18 C19 H19A . 109.5
C20 C19 H19A . 109.5
C18 C19 H19B . 109.5
C20 C19 H19B . 109.5
H19A C19 H19B . 108.1
C21 C20 C19 . 111.1(2)
C21 C20 H20A . 109.4
C19 C20 H20A . 109.4
C21 C20 H20B . 109.4
C19 C20 H20B . 109.4
H20A C20 H20B . 108.0
C22 C21 C17 . 118.8(3)
C22 C21 C20 . 123.2(3)
C17 C21 C20 . 118.0(3)
C23 C22 C21 . 120.6(3)
C23 C22 H22 . 119.7
C21 C22 H22 . 119.7
C22 C23 C24 . 119.6(3)
C22 C23 H23 . 120.2
C24 C23 H23 . 120.2
C16 C24 C23 . 122.3(3)
C16 C24 H24 . 118.8
C23 C24 H24 . 118.8
C26 C25 C15 . 111.4(2)
C26 C25 H25A . 109.3
C15 C25 H25A . 109.3
C26 C25 H25B . 109.3
C15 C25 H25B . 109.3
H25A C25 H25B . 108.0
N1 C26 C25 . 110.8(2)
N1 C26 H26A . 109.5
C25 C26 H26A . 109.5
N1 C26 H26B . 109.5
C25 C26 H26B . 109.5
H26A C26 H26B . 108.1
C28 C27 C11 . 121.9(3)
C28 C27 H27 . 119.1
C11 C27 H27 . 119.1
C27 C28 C8 . 121.2(3)
C27 C28 H28 . 119.4
C8 C28 H28 . 119.4
C40 N3 C39 . 113.9(2)
C40 N3 C53 . 110.8(2)
C39 N3 C53 . 112.0(2)
C45 N4 C44 . 124.0(3)
C45 N4 H4N . 117.3(19)
C44 N4 H4N . 118.5(19)
F2 C29 C30 . 118.6(3)
F2 C29 C34 . 119.2(3)
C30 C29 C34 . 122.2(3)
C29 C30 C31 . 118.7(3)
C29 C30 H30 . 120.7
C31 C30 H30 . 120.7
C30 C31 C32 . 121.6(3)
C30 C31 H31 . 119.2
C32 C31 H31 . 119.2
C33 C32 C31 . 116.6(3)
C33 C32 C35 . 121.6(3)
C31 C32 C35 . 121.8(3)
C34 C33 C32 . 122.7(3)
C34 C33 H33 . 118.7
C32 C33 H33 . 118.7
C29 C34 C33 . 118.3(3)
C29 C34 H34 . 120.9
C33 C34 H34 . 120.9
C36 C35 C55 . 116.5(3)
C36 C35 C32 . 121.9(3)
C55 C35 C32 . 121.6(3)
C37 C36 C35 . 121.6(3)
C37 C36 H36 . 119.2
C35 C36 H36 . 119.2
C36 C37 C38 . 121.5(3)
C36 C37 H37 . 119.3
C38 C37 H37 . 119.3
C54 C38 C37 . 117.0(3)
C54 C38 C39 . 121.9(3)
C37 C38 C39 . 121.0(3)
N3 C39 C38 . 117.5(2)
N3 C39 H39A . 107.9
C38 C39 H39A . 107.9
N3 C39 H39B . 107.9
C38 C39 H39B . 107.9
H39A C39 H39B . 107.2
N3 C40 C41 . 110.7(2)
N3 C40 H40A . 109.5
C41 C40 H40A . 109.5
N3 C40 H40B . 109.5
C41 C40 H40B . 109.5
H40A C40 H40B . 108.1
C40 C41 C42 . 109.9(2)
C40 C41 H41A . 109.7
C42 C41 H41A . 109.7
C40 C41 H41B . 109.7
C42 C41 H41B . 109.7
H41A C41 H41B . 108.2
C43 C42 C41 . 114.7(2)
C43 C42 C52 . 111.6(2)
C41 C42 C52 . 108.1(2)
C43 C42 H42 . 107.4
C41 C42 H42 . 107.4
C52 C42 H42 . 107.4
C51 C43 C44 . 116.4(3)
C51 C43 C42 . 120.5(3)
C44 C43 C42 . 123.1(3)
C48 C44 C43 . 121.9(3)
C48 C44 N4 . 117.2(3)
C43 C44 N4 . 120.8(3)
O2 C45 N4 . 120.0(3)
O2 C45 C46 . 123.0(3)
N4 C45 C46 . 117.0(3)
C45 C46 C47 . 111.3(3)
C45 C46 H46A . 109.4
C47 C46 H46A . 109.4
C45 C46 H46B . 109.4
C47 C46 H46B . 109.4
H46A C46 H46B . 108.0
C48 C47 C46 . 110.7(2)
C48 C47 H47A . 109.5
C46 C47 H47A . 109.5
C48 C47 H47B . 109.5
C46 C47 H47B . 109.5
H47A C47 H47B . 108.1
C49 C48 C44 . 119.6(3)
C49 C48 C47 . 122.0(3)
C44 C48 C47 . 118.3(3)
C48 C49 C50 . 119.8(3)
C48 C49 H49 . 120.1
C50 C49 H49 . 120.1
C51 C50 C49 . 119.8(3)
C51 C50 H50 . 120.1
C49 C50 H50 . 120.1
C50 C51 C43 . 122.5(3)
C50 C51 H51 . 118.7
C43 C51 H51 . 118.7
C53 C52 C42 . 110.9(2)
C53 C52 H52A . 109.5
C42 C52 H52A . 109.5
C53 C52 H52B . 109.5
C42 C52 H52B . 109.5
H52A C52 H52B . 108.1
N3 C53 C52 . 111.1(3)
N3 C53 H53A . 109.4
C52 C53 H53A . 109.4
N3 C53 H53B . 109.4
C52 C53 H53B . 109.4
H53A C53 H53B . 108.0
C55 C54 C38 . 121.4(3)
C55 C54 H54 . 119.3
C38 C54 H54 . 119.3
C54 C55 C35 . 121.9(3)
C54 C55 H55 . 119.1
C35 C55 H55 . 119.1
C61 Cl1 C61 2 69.6(5)
Cl1 C61 Cl2 2 112.9(5)
Cl1 C61 Cl1 2 110.4(5)
Cl2 C61 Cl1 . 101.8(3)
Cl1 C61 H61 2 110.5
Cl2 C61 H61 . 110.5
Cl1 C61 H61 . 110.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
F1 C2 . 1.374(3)
O1 C18 . 1.242(3)
N1 C13 . 1.454(4)
N1 C26 . 1.458(3)
N1 C12 . 1.480(4)
N2 C18 . 1.347(4)
N2 C17 . 1.428(4)
N2 H2N . 0.88(3)
C2 C7 . 1.360(4)
C2 C3 . 1.374(4)
C3 C4 . 1.377(4)
C3 H3 . 0.9500
C4 C5 . 1.396(4)
C4 H4 . 0.9500
C5 C6 . 1.407(4)
C5 C8 . 1.482(4)
C6 C7 . 1.381(4)
C6 H6 . 0.9500
C7 H7 . 0.9500
C8 C28 . 1.395(4)
C8 C9 . 1.402(4)
C9 C10 . 1.383(4)
C9 H9 . 0.9500
C10 C11 . 1.392(4)
C10 H10 . 0.9500
C11 C27 . 1.396(4)
C11 C12 . 1.507(4)
C12 H12A . 0.9900
C12 H12B . 0.9900
C13 C14 . 1.526(4)
C13 H13A . 0.9900
C13 H13B . 0.9900
C14 C15 . 1.527(4)
C14 H14A . 0.9900
C14 H14B . 0.9900
C15 C16 . 1.524(4)
C15 C25 . 1.531(4)
C15 H15 . 1.0000
C16 C24 . 1.388(4)
C16 C17 . 1.403(4)
C17 C21 . 1.401(4)
C18 C19 . 1.497(4)
C19 C20 . 1.520(4)
C19 H19A . 0.9900
C19 H19B . 0.9900
C20 C21 . 1.495(4)
C20 H20A . 0.9900
C20 H20B . 0.9900
C21 C22 . 1.386(4)
C22 C23 . 1.379(4)
C22 H22 . 0.9500
C23 C24 . 1.391(4)
C23 H23 . 0.9500
C24 H24 . 0.9500
C25 C26 . 1.524(4)
C25 H25A . 0.9900
C25 H25B . 0.9900
C26 H26A . 0.9900
C26 H26B . 0.9900
C27 C28 . 1.386(4)
C27 H27 . 0.9500
C28 H28 . 0.9500
F2 C29 . 1.359(4)
O2 C45 . 1.234(3)
N3 C40 . 1.460(4)
N3 C39 . 1.470(4)
N3 C53 . 1.470(3)
N4 C45 . 1.366(4)
N4 C44 . 1.417(4)
N4 H4N . 0.86(3)
C29 C30 . 1.372(5)
C29 C34 . 1.372(4)
C30 C31 . 1.386(4)
C30 H30 . 0.9500
C31 C32 . 1.403(4)
C31 H31 . 0.9500
C32 C33 . 1.396(4)
C32 C35 . 1.487(4)
C33 C34 . 1.374(4)
C33 H33 . 0.9500
C34 H34 . 0.9500
C35 C36 . 1.397(4)
C35 C55 . 1.401(4)
C36 C37 . 1.380(4)
C36 H36 . 0.9500
C37 C38 . 1.398(4)
C37 H37 . 0.9500
C38 C54 . 1.392(4)
C38 C39 . 1.514(4)
C39 H39A . 0.9900
C39 H39B . 0.9900
C40 C41 . 1.511(4)
C40 H40A . 0.9900
C40 H40B . 0.9900
C41 C42 . 1.531(4)
C41 H41A . 0.9900
C41 H41B . 0.9900
C42 C43 . 1.519(4)
C42 C52 . 1.534(4)
C42 H42 . 1.0000
C43 C51 . 1.391(4)
C43 C44 . 1.407(4)
C44 C48 . 1.388(4)
C45 C46 . 1.482(4)
C46 C47 . 1.518(4)
C46 H46A . 0.9900
C46 H46B . 0.9900
C47 C48 . 1.510(4)
C47 H47A . 0.9900
C47 H47B . 0.9900
C48 C49 . 1.383(4)
C49 C50 . 1.389(4)
C49 H49 . 0.9500
C50 C51 . 1.378(4)
C50 H50 . 0.9500
C51 H51 . 0.9500
C52 C53 . 1.515(4)
C52 H52A . 0.9900
C52 H52B . 0.9900
C53 H53A . 0.9900
C53 H53B . 0.9900
C54 C55 . 1.377(4)
C54 H54 . 0.9500
C55 H55 . 0.9500
Cl1 C61 2 1.573(7)
Cl1 C61 . 1.960(9)
Cl2 C61 . 1.782(8)
C61 Cl1 2 1.573(7)
C61 H61 . 1.0000
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
N2 H2N O1 2_556 0.88(3) 1.99(3) 2.869(3) 173(3) yes
N4 H4N O2 2_665 0.85(3) 2.01(3) 2.854(3) 169(3) yes
C15 H15 O1 2_556 1.00 2.42 3.286(4) 145 yes
C34 H34 F1 2_766 0.95 2.53 3.406(4) 154 yes
C42 H42 O2 2_665 1.00 2.34 3.233(4) 148 yes
C61 H61 N3 1_455 1.00 2.00 2.978(9) 164 yes
C3 H3 Cg3 2_656 0.95 2.65 3.483(3) 147 yes
C7 H7 Cg4 1_455 0.95 2.82 3.366(3) 117 yes
C19 H19B Cg2 2_556 0.99 2.84 3.779(3) 159 yes
C26 H26B Cg5 1_655 0.99 2.94 3.903(3) 165 yes
C28 H28 Cg5 1_455 0.95 2.71 3.567(3) 150 yes
C30 H30 Cg6 2_765 0.95 2.78 3.593(4) 144 yes
C46 H46A Cg5 2_665 0.99 2.93 3.871(3) 159 yes
C53 H53A Cg6 1_655 0.99 2.86 3.825(3) 166 yes
C55 H55 Cg1 1_555 0.95 2.72 3.580(3) 151 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
C7 C2 C3 C4 0.3(5)
F1 C2 C3 C4 -179.4(3)
C2 C3 C4 C5 -0.1(5)
C3 C4 C5 C6 0.2(5)
C3 C4 C5 C8 -179.3(3)
C4 C5 C6 C7 -0.5(4)
C8 C5 C6 C7 179.0(3)
F1 C2 C7 C6 179.2(3)
C3 C2 C7 C6 -0.6(5)
C5 C6 C7 C2 0.7(5)
C4 C5 C8 C28 152.9(3)
C6 C5 C8 C28 -26.6(4)
C4 C5 C8 C9 -26.8(4)
C6 C5 C8 C9 153.7(3)
C28 C8 C9 C10 0.4(4)
C5 C8 C9 C10 -179.9(3)
C8 C9 C10 C11 1.3(5)
C9 C10 C11 C27 -1.7(4)
C9 C10 C11 C12 177.7(3)
C13 N1 C12 C11 75.3(3)
C26 N1 C12 C11 -53.1(3)
C10 C11 C12 N1 100.2(3)
C27 C11 C12 N1 -80.3(4)
C26 N1 C13 C14 -60.6(3)
C12 N1 C13 C14 170.9(2)
N1 C13 C14 C15 61.2(3)
C13 C14 C15 C16 176.2(2)
C13 C14 C15 C25 -58.2(3)
C14 C15 C16 C24 50.7(4)
C25 C15 C16 C24 -72.8(3)
C14 C15 C16 C17 -131.7(3)
C25 C15 C16 C17 104.8(3)
C24 C16 C17 C21 0.5(4)
C15 C16 C17 C21 -177.2(3)
C24 C16 C17 N2 179.3(3)
C15 C16 C17 N2 1.6(4)
C18 N2 C17 C21 -23.1(4)
C18 N2 C17 C16 158.0(3)
C17 N2 C18 O1 -174.4(3)
C17 N2 C18 C19 6.1(4)
O1 C18 C19 C20 -147.6(3)
N2 C18 C19 C20 31.9(4)
C18 C19 C20 C21 -52.3(3)
C16 C17 C21 C22 -1.3(4)
N2 C17 C21 C22 179.8(3)
C16 C17 C21 C20 177.6(3)
N2 C17 C21 C20 -1.3(4)
C19 C20 C21 C22 -143.2(3)
C19 C20 C21 C17 38.0(4)
C17 C21 C22 C23 1.3(4)
C20 C21 C22 C23 -177.5(3)
C21 C22 C23 C24 -0.6(5)
C17 C16 C24 C23 0.3(4)
C15 C16 C24 C23 178.0(3)
C22 C23 C24 C16 -0.3(5)
C16 C15 C25 C26 -176.8(3)
C14 C15 C25 C26 55.9(3)
C13 N1 C26 C25 57.2(3)
C12 N1 C26 C25 -173.5(2)
C15 C25 C26 N1 -55.2(3)
C10 C11 C27 C28 0.7(4)
C12 C11 C27 C28 -178.8(3)
C11 C27 C28 C8 0.9(5)
C9 C8 C28 C27 -1.4(4)
C5 C8 C28 C27 178.8(3)
F2 C29 C30 C31 177.6(3)
C34 C29 C30 C31 -1.3(5)
C29 C30 C31 C32 0.0(5)
C30 C31 C32 C33 1.4(5)
C30 C31 C32 C35 -177.9(3)
C31 C32 C33 C34 -1.7(5)
C35 C32 C33 C34 177.7(3)
F2 C29 C34 C33 -177.9(3)
C30 C29 C34 C33 1.1(5)
C32 C33 C34 C29 0.5(5)
C33 C32 C35 C36 -155.2(3)
C31 C32 C35 C36 24.1(4)
C33 C32 C35 C55 23.0(4)
C31 C32 C35 C55 -157.7(3)
C55 C35 C36 C37 -0.2(4)
C32 C35 C36 C37 178.0(3)
C35 C36 C37 C38 -0.9(5)
C36 C37 C38 C54 1.2(4)
C36 C37 C38 C39 -177.8(3)
C40 N3 C39 C38 -70.1(3)
C53 N3 C39 C38 56.6(3)
C54 C38 C39 N3 86.9(4)
C37 C38 C39 N3 -94.1(3)
C39 N3 C40 C41 -172.4(2)
C53 N3 C40 C41 60.3(3)
N3 C40 C41 C42 -60.4(3)
C40 C41 C42 C43 -177.6(3)
C40 C41 C42 C52 57.1(3)
C41 C42 C43 C51 -54.7(4)
C52 C42 C43 C51 68.7(4)
C41 C42 C43 C44 127.7(3)
C52 C42 C43 C44 -108.9(3)
C51 C43 C44 C48 0.1(4)
C42 C43 C44 C48 177.8(3)
C51 C43 C44 N4 -178.9(3)
C42 C43 C44 N4 -1.2(4)
C45 N4 C44 C48 23.1(4)
C45 N4 C44 C43 -157.8(3)
C44 N4 C45 O2 174.1(3)
C44 N4 C45 C46 -6.3(4)
O2 C45 C46 C47 148.1(3)
N4 C45 C46 C47 -31.5(4)
C45 C46 C47 C48 51.3(3)
C43 C44 C48 C49 1.2(4)
N4 C44 C48 C49 -179.7(3)
C43 C44 C48 C47 -178.2(3)
N4 C44 C48 C47 0.9(4)
C46 C47 C48 C49 143.6(3)
C46 C47 C48 C44 -37.0(4)
C44 C48 C49 C50 -2.1(5)
C47 C48 C49 C50 177.2(3)
C48 C49 C50 C51 1.8(5)
C49 C50 C51 C43 -0.5(5)
C44 C43 C51 C50 -0.5(5)
C42 C43 C51 C50 -178.3(3)
C43 C42 C52 C53 177.4(2)
C41 C42 C52 C53 -55.5(3)
C40 N3 C53 C52 -58.3(3)
C39 N3 C53 C52 173.4(3)
C42 C52 C53 N3 56.6(3)
C37 C38 C54 C55 -0.4(4)
C39 C38 C54 C55 178.6(3)
C38 C54 C55 C35 -0.7(5)
C36 C35 C55 C54 1.0(4)
C32 C35 C55 C54 -177.2(3)
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Gra\