# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 2353805'
loop_
_audit_author_name
_audit_author_address
'bingliang cheng'
;Ningbo Institute of Materials Technology and Engineering
China
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-31 downloaded from the CCDC.
;
_audit_creation_date             2024-05-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Br10.8 Cs4 I1.2 Pb4)'
_chemical_formula_sum            'Br2.70 Cs I0.30 Pb'
_chemical_formula_weight         593.93
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   8.2876(17)
_cell_length_b                   11.814(3)
_cell_length_c                   8.2579(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     808.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1188
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      24.30
_cell_measurement_theta_min      3.45
_shelx_estimated_absorpt_T_max   0.692
_shelx_estimated_absorpt_T_min   0.504
_exptl_absorpt_coefficient_mu    39.676
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5032
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1331 before and 0.0758 after correction.
The Ratio of minimum to maximum transmission is 0.6749.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    4.879
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             990
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6178
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.578
_diffrn_reflns_theta_min         3.010
_diffrn_ambient_temperature      300
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                563
_reflns_number_total             971
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.805
_refine_diff_density_min         -1.692
_refine_diff_density_rms         0.318
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_reflns         971
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0437
_refine_ls_restrained_S_all      1.020
_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/[σ²(Fo²)+(0.0190P)²+28.7997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.1069
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{I1, Br1}
{Br2, I2}
2. Uiso/Uaniso restraints and constraints
Uanis(I1) = Uanis(Br1)
Uanis(Br2) = Uanis(I2)
3. Others
 Fixed Sof: Br2(0.9) I1(0.05) I2(0.1) Br1(0.45)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 1.000000 0.500000 0.500000 0.0298(2) Uani 1 2 d S T P . .
Cs1 Cs 0.9709(3) 0.750000 0.9926(3) 0.0930(8) Uani 1 2 d S T P . .
Br2 Br 0.7088(3) 0.5245(2) 0.7078(2) 0.0761(7) Uani 0.9 1 d . . . A 5
I1 I 1.0037(5) 0.750000 0.4533(4) 0.0909(12) Uani 0.1 2 d S T P A 3
I2 I 0.7088(3) 0.5245(2) 0.7078(2) 0.0761(7) Uani 0.1 1 d . . . A 6
Br1 Br 1.0037(5) 0.750000 0.4533(4) 0.0909(12) Uani 0.9 2 d S T P A 4

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pb1 0.0302(4) 0.0278(4) 0.0314(4) -0.0008(3) -0.0003(3) 0.0011(4)
Cs1 0.0984(18) 0.0783(15) 0.1022(16) 0.000 0.0298(14) 0.000
Br2 0.0630(12) 0.1007(17) 0.0645(11) 0.0053(11) 0.0337(10) 0.0090(12)
I1 0.139(3) 0.0265(12) 0.107(2) 0.000 -0.014(2) 0.000
I2 0.0630(12) 0.1007(17) 0.0645(11) 0.0053(11) 0.0337(10) 0.0090(12)
Br1 0.139(3) 0.0265(12) 0.107(2) 0.000 -0.014(2) 0.000

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 Br2 2.9758(18) . ?
Pb1 Br2 2.9829(18) 6_657 ?
Pb1 Br2 2.9758(18) 5_766 ?
Pb1 Br2 2.9829(18) 2_664 ?
Pb1 I1 2.9788(9) 5_766 ?
Pb1 I1 2.9788(9) . ?
Pb1 I2 2.9758(18) . ?
Pb1 Br1 2.9788(9) . ?
Cs1 Cs1 5.765(3) 6_657 ?
Cs1 Br2 4.165(3) 7_575 ?
Cs1 Br2 3.987(3) 2_665 ?
Cs1 Br2 3.987(3) 8_766 ?
Cs1 Br2 4.165(3) . ?
Cs1 Br2 3.705(3) 4_566 ?
Cs1 Br2 3.705(3) 6_657 ?
Cs1 I1 3.898(5) 6_557 ?
Cs1 I1 4.462(4) . ?
Cs1 I1 3.813(4) 1_556 ?
Cs1 I1 4.438(5) 6_657 ?
Cs1 I2 4.165(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Br2 Cs1 Br2 119.02(7) 4_566 . ?
Br2 Cs1 Br2 125.26(7) 8_766 . ?
Br2 Cs1 Br2 62.39(3) 2_665 . ?
Br2 Cs1 Br2 64.23(4) 6_657 . ?
Br2 Cs1 Br2 79.53(8) 7_575 . ?
Br2 Cs1 I1 61.02(5) 4_566 6_657 ?
Br2 Cs1 I1 125.15(6) . 6_657 ?
Br2 Cs1 I1 125.15(6) 7_575 6_657 ?
Br2 Cs1 I1 109.07(6) 8_766 6_657 ?
Br2 Cs1 I1 109.07(6) 2_665 6_657 ?
Br2 Cs1 I1 61.02(5) 6_657 6_657 ?
I1 Cs1 I1 92.29(9) 6_657 . ?
I1 Cs1 I1 100.07(10) 6_557 . ?
I1 Cs1 I1 172.42(14) 1_556 . ?
I1 Cs1 I1 80.14(9) 1_556 6_657 ?
I1 Cs1 I1 167.64(12) 6_557 6_657 ?
I2 Cs1 I1 125.15(6) . 6_657 ?
Pb1 Br2 Pb1 158.05(9) . 2_665 ?
Pb1 Br2 Cs1 104.11(7) . 6_557 ?
Pb1 Br2 Cs1 84.72(6) 2_665 . ?
Pb1 Br2 Cs1 87.99(6) . . ?
Pb1 Br2 Cs1 97.04(7) 2_665 6_557 ?
Pb1 Br2 Cs1 88.09(6) . 2_664 ?
Pb1 Br2 Cs1 93.73(7) 2_665 2_664 ?
Cs1 Br2 Cs1 100.78(6) 6_557 2_664 ?
Cs1 Br2 Cs1 94.01(7) 6_557 . ?
Cs1 Br2 Cs1 165.21(7) 2_664 . ?
Pb1 I1 Pb1 165.06(14) 3_756 . ?
Pb1 I1 Cs1 88.67(8) 3_756 6_557 ?
Pb1 I1 Cs1 82.53(7) 3_756 . ?
Pb1 I1 Cs1 97.39(7) . 1_554 ?
Pb1 I1 Cs1 88.67(8) . 6_557 ?
Pb1 I1 Cs1 89.73(8) 3_756 6_657 ?
Pb1 I1 Cs1 82.53(7) . . ?
Pb1 I1 Cs1 89.73(8) . 6_657 ?
Pb1 I1 Cs1 97.39(7) 3_756 1_554 ?
Cs1 I1 Cs1 167.64(12) 6_657 6_557 ?
Cs1 I1 Cs1 80.73(8) 6_557 . ?
Cs1 I1 Cs1 86.91(8) 6_657 . ?
Cs1 I1 Cs1 100.67(11) 1_554 6_657 ?
Cs1 I1 Cs1 91.69(9) 1_554 6_557 ?
Cs1 I1 Cs1 172.42(14) 1_554 . ?
Pb1 I2 Pb1 158.05(9) . 2_665 ?
Pb1 I2 Cs1 97.04(7) 2_665 6_557 ?
Pb1 I2 Cs1 104.11(7) . 6_557 ?
Pb1 I2 Cs1 87.99(6) . . ?
Pb1 I2 Cs1 88.09(6) . 2_664 ?
Pb1 I2 Cs1 84.72(6) 2_665 . ?
Pb1 I2 Cs1 93.73(7) 2_665 2_664 ?
Cs1 I2 Cs1 100.78(6) 6_557 2_664 ?
Cs1 I2 Cs1 165.21(7) 2_664 . ?
Cs1 I2 Cs1 94.01(7) 6_557 . ?
Pb1 Br1 Pb1 165.06(14) 3_756 . ?
Pb1 Br1 Cs1 97.39(7) . 1_554 ?
Pb1 Br1 Cs1 89.73(8) . 6_657 ?
Pb1 Br1 Cs1 89.73(8) 3_756 6_657 ?
Pb1 Br1 Cs1 97.39(7) 3_756 1_554 ?
Cs1 Br1 Cs1 100.67(11) 1_554 6_657 ?

loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
0 0 -1 0.1 0.5
0 0 1 1 0.7
0 0 -1 0.2 0.9
0 0 1 0.2 0.8
0 0 2 2773.42 132.39
0 0 -2 2617.84 130.99
0 0 -2 2551.64 179.58
0 0 2 2695.73 181.18
0 0 3 1.2 2.6
0 0 3 -1 1.4
0 0 -3 1.7 1.8
0 0 -3 1.7 2.5
0 0 4 4025.7 184.68
0 0 -4 3839.12 182.48
0 0 -5 -1.2 3.4
0 0 -5 4.2 3.8
0 0 5 -1.7 3.1
0 0 5 0.7 2.5
0 0 6 821.92 43.9
0 0 6 865.71 50.59
0 0 -6 810.92 44.6
0 0 -6 865.71 47.7
0 0 7 -2.3 5.4
0 0 -7 -5.7 2.5
0 0 7 1.5 4
0 0 -7 -0.7 5
0 0 -8 227.38 17.5
0 0 8 199.48 16.6
0 0 8 179.48 26.1
0 0 9 -1.4 7
0 0 -9 2.8 5.6
0 0 9 1.8 4.5
0 0 10 190.78 31.6
0 0 -10 196.88 19.2
1 0 0 0.3 0.6
-1 0 0 -0.3 0.4
1 0 1 933.31 43.6
-1 0 -1 919.41 43.5
1 0 -2 227.38 13.3
-1 0 2 222.48 14
1 0 -2 227.98 13.7
-1 0 -2 229.08 11.9
-1 0 -2 218.68 13.7
-1 0 2 256.27 13.5
1 0 2 226.28 14.2
1 0 2 236.58 11.8
1 0 -3 999.4 50.39
-1 0 -3 997.9 50.69
-1 0 3 1029.3 49.5
1 0 -3 1029.1 49.8
1 0 3 1002.3 51.49
-1 0 -4 367.56 20.6
1 0 4 376.76 24.7
-1 0 4 357.06 24.2
-1 0 4 400.56 22.2
1 0 4 389.16 20.3
1 0 -4 371.06 23.3
-1 0 -4 367.66 23.4
1 0 -4 365.06 22.1
1 0 -5 192.28 14.8
-1 0 5 196.08 17
1 0 5 188.08 12.7
-1 0 -5 189.78 13.3
1 0 5 199.78 17.1
-1 0 5 191.08 14.3
-1 0 -5 188.18 16
1 0 -6 136.09 13.3
1 0 6 129.39 11.2
-1 0 6 146.69 12.9
1 0 6 122.69 17.4
-1 0 -6 143.99 11.9
-1 0 -6 170.98 18.3
-1 0 6 166.98 20.6
1 0 7 264.17 24.3
1 0 7 247.78 17.9
-1 0 7 303.87 25.6
-1 0 7 244.38 19
-1 0 -7 269.17 18.5
-1 0 -7 242.78 21.2
-1 0 8 30.2 13.2
1 0 8 47.4 13.8
1 0 8 67.09 10.3
1 0 -8 47.4 9.2
-1 0 8 66.39 17.7
-1 0 -8 43.1 8.4
1 0 9 102.29 20.5
1 0 -9 82.69 13.1
-1 0 9 119.29 23.2
1 0 9 109.79 14.5
-1 0 10 11.1 10.4
1 0 -10 -3.9 6.9
1 0 10 -1.7 8.8
1 0 10 8 6.4
-1 0 10 4.3 6.4
-1 0 -10 5 6.2
2 0 0 2538.55 120.89
-2 0 0 2466.85 120.29
-2 0 0 2707.13 141.59
2 0 0 2642.44 141.29
2 0 -1 206.48 12
-2 0 1 208.08 11.9
2 0 -2 8922.61 403.66
2 0 2 8751.22 402.46
2 0 2 8628.04 461.45
-2 0 2 9165.98 405.26
-2 0 -2 8847.42 472.55
-2 0 -2 8238.68 400.86
-2 0 2 8361.26 456.55
2 0 -3 100.79 8.8
-2 0 3 92.59 9.1
2 0 3 99.29 9.5
-2 0 -3 93.69 8.7
-2 0 3 85.49 8
-2 0 4 1249.77 60.29
2 0 4 1213.48 62.69
2 0 -4 1195.28 60.49
2 0 4 1199.68 56.79
-2 0 -4 1179.78 61.09
-2 0 4 1206.98 63.09
-2 0 5 1.3 3.3
-2 0 5 4.6 4.6
2 0 5 6.8 5.3
2 0 5 10.8 3.4
-2 0 -5 10.5 5.8
2 0 -5 15.1 5.6
-2 0 -5 9.2 3.8
2 0 6 786.62 41.2
-2 0 -6 839.62 46.7
-2 0 6 821.62 49.5
-2 0 -6 854.51 42.2
2 0 -6 779.52 45.1
2 0 6 867.31 53.19
-2 0 6 779.32 44.5
-2 0 7 3.9 4.3
2 0 7 7.8 4.5
-2 0 -7 -2.5 4.8
-2 0 -7 6 4.4
-2 0 7 3.7 6.9
2 0 7 -1.9 3.9
2 0 -7 3.4 4.8
2 0 8 354.46 22.3
-2 0 8 349.87 25.5
-2 0 -8 354.86 31
-2 0 -8 360.56 28.2
2 0 8 331.17 30.7
-2 0 8 374.66 32.3
-2 0 9 9.9 9.7
-2 0 9 7.7 7
2 0 9 2.3 10.1
2 0 9 4.6 5.4
-2 0 -9 14.2 6.8
2 0 -9 13.1 7.8
2 0 10 77.39 12.1
-2 0 -10 38.4 9.9
-2 0 10 49.1 12.2
-2 0 10 31.7 14
3 0 0 0.7 1.5
-3 0 0 1.3 1.7
3 0 -1 1364.16 64.09
-3 0 1 1331.67 63.89
3 0 -2 75.99 7.3
3 0 2 89.79 7.8
-3 0 2 79.69 7.4
-3 0 2 78.99 7.6
-3 0 -2 76.39 8.3
3 0 -3 118.89 10.6
-3 0 3 148.69 11.8
-3 0 -3 126.79 10.7
3 0 3 124.39 11
-3 0 3 131.89 10.6
-3 0 -4 60.19 9.7
3 0 -4 87.89 12.1
-3 0 4 63.19 9.3
-3 0 4 87.69 12.1
-3 0 5 830.82 47.8
-3 0 -5 848.92 46.3
3 0 5 822.72 61.09
-3 0 5 811.42 45
-3 0 6 110.19 14.6
3 0 -6 95.19 12.5
3 0 6 102.49 15.8
-3 0 6 154.08 19.9
-3 0 -6 124.89 15.3
-3 0 -7 71.49 14.1
-3 0 7 51.89 11
-3 0 7 74.29 15.6
3 0 7 58.89 8
3 0 7 55.49 13.3
3 0 -7 76.69 12.1
-3 0 -8 2.6 7.1
-3 0 -8 14.8 5.6
-3 0 8 4.3 8.2
-3 0 8 16.5 8.3
3 0 -8 13.2 8
3 0 8 4.1 6.7
3 0 -9 88.09 16.8
-3 0 9 137.59 18.5
-3 0 -9 131.59 15.9
-3 0 9 73.09 28
-3 0 10 0.3 8
3 0 10 7.1 5.1
4 0 0 4005.1 194.78
-4 0 0 4070.99 192.48
4 0 0 4292.37 228.08
-4 0 0 4270.27 266.47
4 0 -1 438.06 24.2
-4 0 2 1346.07 65.49
4 0 -2 1326.97 65.59
-4 0 -3 52.69 7.8
-4 0 3 60.39 9.3
4 0 -3 40.2 7.7
4 0 3 36.2 6.9
-4 0 3 52.39 8.5
4 0 -4 1679.13 83.69
-4 0 4 1745.23 83.39
4 0 4 1667.83 85.59
-4 0 4 1649.33 84.49
-4 0 -5 12.9 6.2
4 0 5 6.6 5.5
-4 0 5 9 5.4
4 0 -5 2.5 4.8
-4 0 5 31.3 9
-4 0 6 286.57 25
4 0 6 307.07 25.1
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-7 -11 2 -2.5 4.7
-7 11 -2 -1 8.7
7 -11 -2 -0.8 9.5
0 -12 0 634.84 48.3
0 12 0 510.65 44.2
0 -12 -1 -1.1 5.5
0 -12 -1 -0.8 5.4
0 12 1 3.3 6.4
0 -12 1 -0.6 7.6
0 12 -1 2.3 7.3
0 12 2 557.14 44.8
0 -12 2 478.95 44.3
0 12 -2 469.15 41.2
0 -12 -2 504.65 36.3
0 12 -3 -3.3 5.6
0 12 3 -6 4.7
0 -12 3 -2.2 7.4
0 -12 -3 -2 4
0 12 4 285.57 38.8
0 -12 -4 294.17 28.8
0 12 -4 271.37 35.1
0 -12 4 249.28 41.9
0 -12 5 1.1 5
0 -12 5 -0.3 8.3
0 12 5 5.1 7.4
0 12 -5 -1.7 7.1
0 12 6 79.59 21.3
0 12 -6 146.09 25
0 -12 6 93.79 26.4
0 -12 6 98.39 14.9
1 -12 0 3 8.3
-1 -12 0 0.8 6.2
-1 12 0 -7.3 4.4
1 12 0 -0.3 6.7
-1 12 1 243.78 35.7
1 -12 1 280.97 39.8
-1 -12 -1 265.17 36.9
1 -12 -1 296.67 23.3
-1 -12 1 378.96 49.2
-1 12 -1 256.17 35.8
1 12 1 292.67 37.3
1 -12 -1 324.07 41.2
1 12 -2 6.1 7.4
-1 12 2 -1.5 7
1 -12 -2 0.9 6
-1 -12 2 8.4 9.7
-1 12 -2 -6.2 4.7
1 -12 3 203.28 35.2
1 12 -3 211.58 31.7
-1 -12 -3 194.68 18.9
-1 12 3 179.08 31.4
-1 12 -3 231.38 33.5
1 12 3 212.08 34
-1 -12 3 163.88 32.5
1 -12 -3 192.68 19.2
-1 -12 -4 -1.5 5.2
-1 12 4 6.6 10.2
1 -12 4 -1.8 7
1 12 -4 3.1 6.4
1 12 4 0.5 5.1
-1 -12 4 -3.2 4.1
-1 -12 4 3.1 9.6
-1 12 -4 -6.2 4.9
1 -12 5 86.29 14.6
1 -12 5 81.19 24.2
1 12 -5 113.99 22
-1 12 5 94.19 23.2
-1 -12 5 108.79 26
-1 12 -5 106.59 22.6
-1 -12 5 108.49 16.7
-1 12 6 -8.5 4.2
1 12 -6 -2 3.3
1 -12 6 -0.3 8.4
1 -12 6 6.4 6.8
-1 -12 6 0.1 5.2
-1 -12 6 -10.2 7.8
1 12 6 -1.2 3.6
2 -12 0 473.15 43.9
-2 12 0 522.95 45.3
2 12 0 546.25 43.3
-2 -12 0 597.84 46
2 12 -1 1 5.3
2 -12 1 7.1 9.6
-2 -12 -1 0.6 6.3
-2 12 1 2.4 8.8
2 12 1 -5.3 2.9
2 -12 -1 3.1 5.6
-2 -12 1 -5 6.3
-2 12 -1 -4.5 5
2 -12 -1 -2.4 6.5
2 -12 2 367.76 45.5
-2 12 2 412.96 39.2
2 12 -2 366.76 33.4
2 12 2 344.67 43
-2 12 -2 399.36 37.7
-2 -12 2 402.76 38.6
2 -12 -2 357.56 29.6
-2 -12 -3 -2.1 6.2
-2 12 3 -10.2 4.8
2 -12 3 -6.4 4.4
2 12 -3 -4.9 3.2
-2 12 -3 5.5 8.1
2 -12 -3 -5.4 3.5
-2 -12 3 -3.2 7.5
2 12 3 -2.4 2.4
2 -12 4 203.88 34.6
-2 12 4 214.48 35.4
-2 12 -4 230.28 33
-2 -12 4 251.47 40.4
-2 -12 4 222.58 26.9
2 -12 5 -3.5 4.5
2 -12 5 -2.8 7.2
2 12 -5 -1 2.8
2 12 5 -0.9 3
-2 -12 5 -2.7 7
-2 12 -5 0.7 6.9
-2 -12 5 -0.4 5.4
2 -12 6 103.19 45.8
-2 12 6 91.89 24.3
2 -12 6 99.59 14.7
-2 -12 6 115.89 30.2
-2 12 -6 98.09 23.3
3 12 0 -1.4 2.2
-3 -12 0 -1.9 5
3 -12 0 -6.1 5.7
-3 12 0 -4.1 6.5
3 -12 1 164.08 29.4
-3 12 1 227.18 35.3
-3 12 -1 244.48 34.8
-3 -12 1 292.97 42
3 -12 -1 229.18 34.8
3 -12 -1 244.38 20.5
3 12 -2 0.1 2.2
3 -12 2 -2.9 5.9
-3 12 2 5 9.3
3 -12 2 10.1 7.3
3 12 2 1.2 2.9
-3 -12 2 5.9 10.8
3 -12 -2 8.4 6.2
-3 -12 -3 191.18 27.9
-3 12 3 157.58 34.4
3 -12 3 102.89 25
-3 12 -3 131.79 25.6
-3 -12 3 231.88 49.3
3 12 -4 -0.1 2.9
-3 12 4 -3 7.4
3 -12 4 5.4 10.5
-3 12 -4 2.9 7.5
3 12 4 -0.6 3.4
-3 -12 4 -6.7 5.6
-3 -12 4 4.6 9.2
-3 12 5 54.89 20.6
3 -12 5 112.89 14.9
3 -12 5 54.99 23.4
-3 -12 5 76.69 19.6
-3 12 -5 97.49 27
-3 -12 5 85.09 24.8
3 12 -6 -0.1 4.1
-3 -12 6 1.8 11.1
-3 12 -6 17.8 12.7
-4 -12 0 372.26 44.4
4 -12 0 239.18 36.8
-4 12 0 266.57 38.8
-4 12 1 9 11.4
4 -12 1 -6.5 3
4 12 -1 -0.6 1.9
4 -12 1 8.1 11
-4 -12 1 -4.7 4.2
4 12 1 -0.3 2.3
4 -12 -1 -4.9 4.7
-4 12 -1 8.3 10.3
4 -12 -1 -2 6
4 -12 2 258.87 48.6
-4 12 2 285.27 41.2
4 -12 2 268.77 20.3
-4 12 -2 181.78 32.2
4 -12 -2 267.17 22.5
-4 -12 2 327.27 44.5
4 -12 3 -1.5 7.8
4 -12 3 5.6 6.6
-4 12 3 -4.4 8.7
4 12 -3 -1.4 3.7
-4 -12 3 4.4 6.7
-4 -12 3 -4.6 6.7
-4 12 -3 -4.4 5.6
4 12 3 -0.9 2.7
4 -12 4 162.68 14.6
-4 12 4 158.68 48.2
-4 -12 4 238.98 39.7
-4 12 -4 91.19 22.9
4 -12 5 8.4 6.7
4 12 -5 -0.6 3
-4 12 5 11.3 11.3
4 -12 5 2.2 5.3
-4 12 -5 -7.9 4.8
4 12 5 -0.2 3.8
-4 -12 5 -1.4 5.4
-4 -12 5 2.7 15.1
-5 12 0 0.3 8.5
5 -12 0 -5.9 5.3
-5 12 1 172.28 33.7
5 -12 -1 203.78 26.3
-5 12 -1 179.58 32.5
-5 -12 1 153.98 28.2
5 -12 2 -3.1 4.2
5 -12 2 2.1 9.2
-5 12 2 4.3 9.7
-5 -12 2 1.8 6.4
-5 -12 2 7.5 10.2
5 -12 -2 -8.1 6.6
-5 12 -2 12.6 12.5
5 -12 3 137.09 13
-5 12 3 106.79 26.3
-5 12 -3 104.29 24.5
-5 -12 3 153.38 30.3
-5 -12 3 78.19 20.5
-5 12 4 4.8 9.5
-5 -12 4 -7.5 6.8
5 12 4 -1 3.1
-5 -12 4 1.4 6.2
-5 12 -4 7.5 10.4
6 -12 0 154.68 19.9
-6 12 0 161.98 31
-6 12 1 4 12
-6 -12 1 -1.6 4.4
6 -12 -1 -5.6 4.1
-6 12 -1 -3.9 7.7
-6 12 2 118.89 29.3
6 -12 2 132.59 13
-6 -12 2 122.79 20.5
-6 12 -2 139.99 30.3
-6 -12 3 -1.6 5.8
0 13 0 3.5 7.6
0 -13 0 -6.5 3.9
0 -13 -1 1.6 7.8
0 -13 1 -2.2 5.4
0 13 1 10.3 10.6
0 13 -1 -0.2 5.7
0 -13 -1 -6.2 4.3
0 13 -2 -4.6 4.2
0 -13 -2 0.4 5.3
0 -13 2 -6.2 4.8
0 13 2 -2.8 5.5
0 -13 3 0 10.3
0 13 -3 11.7 11
0 13 3 20.7 12.6
0 13 4 3.8 7.5
0 13 -4 2.4 8.2
0 -13 4 -0.6 8.8
0 13 5 -4.3 3.6
0 -13 5 7.2 7.5
0 13 -5 0.3 7.1
0 -13 5 0.9 11
1 -13 0 15.3 8.8
1 13 0 -6.2 3.2
-1 13 0 -7.4 4.1
-1 -13 0 -5.5 3.8
1 -13 0 -6.6 4.7
1 -13 1 -1.8 5.3
-1 13 1 2.3 8
1 13 -1 -2 4.4
-1 -13 -1 -5.9 4.5
1 13 1 1.8 5.9
-1 13 -1 -6.4 5.3
1 -13 -1 1.6 5.2
-1 -13 1 -0.3 6.5
1 -13 -1 -0.4 7.6
1 -13 2 7.7 8.7
1 13 -2 1 4.9
-1 13 2 13.2 10.3
-1 13 -2 1.8 8.2
1 13 2 18.3 10.9
1 -13 -2 30.9 12.1
-1 -13 2 -0.8 7
1 13 -3 -1.4 4.9
1 -13 3 9.7 10.8
-1 13 3 7.4 8.9
-1 13 -3 -2 4.8
-1 -13 3 3.4 10.5
1 13 3 -2.8 3.3
1 -13 4 11.8 11.5
-1 13 4 5.9 9.8
-1 -13 4 16.2 13.4
-1 -13 4 16.5 8.6
1 13 4 -0.8 3.2
-1 13 -4 8.8 8.9
-1 13 5 -7 5.3
1 -13 5 6.8 13.4
1 -13 5 -2 5.2
1 13 -5 3.7 5.8
-1 -13 5 5.6 14.1
-1 13 -5 5.8 13.9
-1 -13 5 -4.1 4.4
1 13 5 -1 3.7
2 13 0 -1.7 2.4
-2 -13 0 -0.9 5.5
2 -13 0 -5.2 5
-2 13 0 9.8 11
2 -13 0 4.6 5.6
2 -13 1 8.8 7.5
2 13 -1 -0.6 2.4
2 -13 1 1.8 6.5
-2 13 1 7.4 8.8
2 -13 -1 2.3 4.8
-2 -13 1 18.1 11.8
2 13 1 -0.8 2.5
2 -13 -1 4.7 7.5
-2 13 -1 12.8 10.7
-2 13 2 -7.7 4
2 13 -2 -0.9 2.3
2 -13 2 1.6 8.5
2 13 2 -1.1 2.6
-2 -13 2 3 9.7
-2 13 -2 0.6 6.2
2 -13 -2 6 7.6
2 -13 3 -2.8 6.9
2 13 -3 -0.7 2.7
-2 13 3 7.6 10.8
2 13 3 -0.7 2.9
-2 -13 3 -5.9 5.4
-2 13 -3 1.6 7.2
2 -13 4 -8.1 5.6
2 13 -4 -0.2 3.3
-2 13 -4 11.6 10.9
2 13 4 4.3 5
-2 -13 4 -6.7 3.4
-2 -13 4 -1.9 6.7
2 -13 5 4 15.6
2 13 -5 1.1 4.4
2 -13 5 2.6 5.7
-2 13 5 1.8 8
-2 -13 5 9.9 8.7
-2 -13 5 18.4 15.9
-2 13 -5 9.9 10.6
3 -13 0 -4.2 3.3
-3 -13 0 0.4 5.5
3 -13 0 -1.6 5.6
-3 13 0 -5 6.7
3 13 0 -0.4 2.5
-3 13 1 12.2 11.8
3 13 -1 -0.7 2.4
3 -13 1 -5.1 5
3 -13 1 6.6 11.4
-3 -13 1 -5.5 4.2
-3 13 -1 -4.1 7.3
3 13 1 -0.4 2.6
3 -13 -1 4.9 6.9
3 -13 -1 11.6 10.4
3 13 -2 -0.6 2.5
3 -13 2 -3.9 6
3 -13 2 -0.2 5.7
-3 13 2 6.6 9.6
3 13 2 -0.2 2.8
-3 13 -2 5.3 10.2
3 -13 3 7.1 7.3
3 -13 3 -2 9.3
-3 13 3 3.1 9.5
3 13 -3 0 2.5
3 13 3 -0.5 2.9
-3 13 -3 -5.9 4.1
-3 -13 3 7.2 11.3
3 13 -4 4.5 5.6
3 -13 4 10.6 13.3
-3 13 4 0.9 9.6
3 13 4 0.1 3.9
-3 -13 4 14.3 9.1
-3 13 -4 12.5 13.8
-3 -13 4 22.2 15.8
4 -13 0 -2.9 5.5
4 -13 0 4.8 6.8
-4 -13 0 -1.2 5.8
4 13 0 -0.6 2.5
-4 13 0 11 12.6
4 -13 1 4.6 10.3
4 -13 1 -0.7 8.9
-4 13 1 6.3 11.2
4 13 -1 1.7 4
4 13 1 -0.3 2.7
-4 -13 1 -2.4 8
-4 13 -1 -5.1 8.5
4 -13 2 -2 4
4 13 -2 0.3 2.5
4 -13 2 -8.9 6.1
4 13 2 -0.2 2.9
-4 13 -2 4.9 13.4
-4 -13 2 -0.7 6.3
-4 13 3 0.2 9.5
-4 -13 3 2.4 7.1
-4 13 -3 2.8 8.1
4 13 3 1.4 3.6
-4 -13 3 -1 4.9
4 13 -4 -0.2 5.2
-4 13 4 -1 8.1
-4 -13 4 2.6 7.6
-4 13 -4 11.3 11.3
-4 -13 4 -0.1 9.2
4 13 4 -0.4 3.4
5 -13 0 -1.3 5.4
-5 13 0 -10.3 4.6
-5 13 1 5.3 11.5
5 -13 1 4.5 9.2
5 13 -1 -0.4 2.3
5 -13 -1 -7.3 4.8
-5 -13 1 -5.8 4.5
-5 13 -1 15.4 13.6
-5 13 2 -1.1 7.8
5 -13 2 -1.5 5.4
5 13 -2 -0.3 3.2
-5 13 -2 5.9 9.4
-5 -13 2 5.7 7.6
-5 -13 2 -1 5
0 -14 0 10.4 8.9
0 14 0 13.5 10.8
0 14 1 4.1 6.6
0 -14 1 -6.8 5.3
0 -14 -1 3.9 11
0 14 -1 8.7 8.8
0 -14 2 43.6 28.2
0 14 2 25.4 12.4
0 14 -2 10.9 10
0 14 3 -3.2 3.5
0 -14 3 -5.9 6.4
0 14 -3 -0.6 6.3
0 -14 4 70.59 22.4
-1 14 0 -3.5 4.5
-1 -14 0 -6.2 5.4
1 14 0 -0.6 3
1 -14 0 -3.3 5.5
-1 14 1 73.29 20.3
1 -14 1 60.89 19.3
1 -14 -1 58.09 20.5
-1 -14 1 38.8 19.1
-1 14 -1 41.5 17
-1 14 2 -9.9 3.5
1 14 -2 -0.2 2.9
1 -14 2 -1.7 7.1
-1 -14 2 -5.1 6.1
-1 14 -2 -3.8 5.5
1 14 2 1.4 4.1
-1 14 3 74.99 20.9
1 -14 3 91.89 24.7
-1 -14 3 91.69 26.8
-1 14 -3 73.69 19.9
1 -14 4 -0.9 9.7
1 14 -4 -0.4 3.5
-1 14 4 -3.6 5.7
-1 -14 4 5.4 14.3
-1 14 -4 2.3 12.6
-1 -14 4 2.8 7.3
1 14 4 -1 3.8
2 14 0 2.3 6.2
-2 -14 0 6.7 8.7
2 -14 0 -4.9 5.6
-2 14 0 16.4 12.1
-2 14 1 -1.4 6.8
2 14 -1 -0.8 2.9
2 -14 1 3.1 9.2
2 -14 -1 -0.4 6.3
-2 -14 1 3.8 8.5
2 14 1 -0.4 2.9
2 -14 2 22.3 15.7
2 -14 2 42.8 16.7
-2 14 -2 17.8 13.9
-2 -14 2 63.59 24.8
2 14 -3 -0.2 4.2
2 -14 3 -3.5 8
-2 14 3 4.5 9.8
-2 -14 3 -10.2 5.8
2 14 3 -0.9 3.4
-2 14 -3 -2.2 6.8
-2 14 -4 52.79 18.9
3 -14 0 -4.3 6.2
3 14 0 -0.3 3.1
-3 14 0 -3.2 6
-3 14 1 27.3 14
3 -14 1 38.7 14.3
-3 14 -1 54.29 18.7
-3 -14 1 95.49 28.8
3 14 -2 0.4 3.6
-3 14 2 -0.5 9.3
3 -14 2 -1.7 8.3
3 -14 2 5.8 11.9
3 14 2 -0.8 3.3
-3 -14 2 11.2 12.4
-3 14 -2 -5.4 5
3 -14 3 30.1 19.7
-3 14 3 38.4 24.6
3 -14 3 79.49 21.9
-3 -14 3 76.59 24.9
-4 14 0 4.2 9.4
4 14 0 -0.3 3.1
4 -14 1 -8.8 4.9
-4 14 1 3.1 11.8
4 14 -1 -0.4 3.1
-4 -14 1 -4.3 5.3
4 14 1 -0.9 3.2
-4 14 -1 -6.4 7.4
-4 14 2 30.7 15.2
-4 14 -2 22.5 13.6
0 15 0 -1.2 3.7
0 -15 0 7.3 11.1
0 -15 1 -0.4 9.3
0 15 1 -0.4 4
0 15 -1 -0.9 3.7
0 15 2 -0.4 3.9
0 15 -2 -0.9 3.6
0 -15 2 6.3 12.3
1 15 0 -0.5 3.5
1 -15 0 -1.9 7.8
-1 -15 0 4.7 9.1
-1 15 0 3.3 8
1 15 -1 -0.7 3.5
-1 15 1 -1.3 5.9
1 -15 1 0 8.1
-1 -15 1 13.4 11.9
-1 15 -1 -7.5 3.8
1 15 1 -1 3.6
1 15 -2 -0.2 3.6
-1 15 2 -0.3 5.8
1 15 2 -0.3 3.9
-1 15 -2 2.8 8.5
-2 15 0 5.8 9.4
2 -15 0 10.1 12.2
-2 -15 0 -3.6 8.2
2 15 0 -0.5 3.5
-2 15 1 15 11.1
2 15 1 0.4 4.2
-2 15 -1 -7.2 5.3

_iucr_refine_instructions_details 
;
TITL 5_a.res in Pnma
    5.res
    created by SHELXL-2018/3 at 11:02:06 on 07-May-2024
REM Old TITL 5 in Pnma #62
REM SHELXT solution in Pnma: R1 0.189, Rweak 0.002, Alpha 0.032
REM <I/s> 0.672 for 127 systematic absences, Orientation as input
REM Formula found by SHELXT: Br4 Pb
CELL 0.71073 8.2876 11.8141 8.2579 90 90 90
ZERR 4 0.0017 0.0029 0.0018 0 0 0
LATT 1
SYMM 0.5-X,-Y,0.5+Z
SYMM -X,0.5+Y,-Z
SYMM 0.5+X,0.5-Y,0.5-Z
SFAC Br Cs I Pb
UNIT 10.8 4 1.2 4
EADP I1 Br1
EADP Br2 I2
EXYZ I1 Br1
EXYZ Br2 I2

L.S. 20
PLAN  5
SIZE 0.01 0.01 0.02
TEMP 26.85
list 4
fmap 2 53
acta
OMIT 4 1 1
OMIT 4 14 0
OMIT 2 14 0
OMIT 6 1 1
OMIT 2 3 4
REM <olex2.extras>
REM <HklSrc "%.\\5.hkl">
REM </olex2.extras>

WGHT    0.019000   28.799702
FVAR       0.14682
PB1   4    1.000000    0.500000    0.500000    10.50000    0.03023    0.02784 =
         0.03141   -0.00076   -0.00026    0.00112
CS1   2    0.970879    0.750000    0.992636    10.50000    0.09842    0.07835 =
         0.10216    0.00000    0.02985    0.00000
PART 5
BR2   1    0.708768    0.524506    0.707849    10.90000    0.06304    0.10074 =
         0.06451    0.00529    0.03370    0.00902
PART 0
PART 3
I1    3    1.003658    0.750000    0.453253    10.05000    0.13907    0.02646 =
         0.10718    0.00000   -0.01360    0.00000
PART 0
PART 6
I2    3    0.708768    0.524506    0.707849    10.10000    0.06304    0.10074 =
         0.06451    0.00529    0.03370    0.00902
PART 0
PART 4
BR1   1    1.003658    0.750000    0.453253    10.45000    0.13907    0.02646 =
         0.10718    0.00000   -0.01360    0.00000
HKLF 4

#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared), status flag
#
data_5_CCDC1
_shelx_title ' 5_a.res in Pnma'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      686.17
_exptl_crystal_F_000       989.60
_reflns_d_resolution_high  0.7676

loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z'
 'x+1/2, -y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z'
 '-x-1/2, y-1/2, z-1/2'

_cell_length_a     8.2876
_cell_length_b    11.8141
_cell_length_c     8.2579
_cell_angle_alpha  90.000
_cell_angle_beta   90.000
_cell_angle_gamma  90.000

_shelx_F_squared_multiplier     1.000

loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_F_squared_calc
 _refln_F_squared_meas
 _refln_F_squared_sigma
 _refln_observed_status
   2   0   0     119409.16     119611.09      3010.25 o
   4   0   0     192190.95     191879.31      4983.61 o
   6   0   0      41278.39      39447.58      1994.86 o
   2   1   0       1543.93       1353.12       101.75 o
   4   1   0       6838.98       5344.82       222.88 o
   6   1   0        681.97        501.73       106.23 o
   8   1   0        612.97        282.99       204.12 o
  10   1   0          8.10        120.62       171.65 o
   0   2   0      47095.95      48235.25      1664.48 o
   2   2   0      29219.99      30504.08       769.17 o
   4   2   0      25282.60      26225.55       636.86 o
   6   2   0      12966.22      11207.38       765.47 o
   8   2   0       5948.22       6911.94       603.10 o
  10   2   0       7328.61       7259.42       640.21 o
   2   3   0       7874.72       6725.87       404.36 o
   4   3   0         48.56        -42.67        59.01 o
   6   3   0       5471.64       5222.52       479.02 o
   8   3   0          1.57        -23.20       190.21 o
   0   4   0     470831.09     434428.31     11604.95 o
   2   4   0     110909.12     115165.10      3991.89 o
   4   4   0     122919.21     118865.19      4013.23 o
   6   4   0      33881.65      32393.25       819.64 o
   8   4   0       7961.80       8372.83       723.72 o
  10   4   0       5859.91       4940.28       705.16 o
   2   5   0        120.12        140.43       101.94 o
   4   5   0       9890.28       8669.88       438.23 o
   6   5   0        272.22        297.45       113.12 o
   8   5   0       1080.01       1322.17       398.97 o
  10   5   0         19.11        134.54       218.04 o
   0   6   0       9017.88       8738.01      1159.80 o
   2   6   0        656.37       1018.57       211.60 o
   4   6   0      10451.49      10802.33      1131.29 o
   6   6   0      10186.35       9860.38       488.75 o
   8   6   0       5057.57       4994.70       583.93 o
   2   7   0       3908.25       4297.67       318.49 o
   4   7   0        306.53        329.66       173.80 o
   6   7   0       3537.84       3903.22       385.03 o
   8   7   0         47.29        129.59       236.60 o
   0   8   0     119153.95     115595.15      4213.36 o
   2   8   0      70540.00      67548.54      1646.10 o
   4   8   0      43358.14      40803.81      1229.39 o
   6   8   0      18313.81      17571.50      1483.60 o
   8   8   0       5532.56       4994.62       484.80 o
   2   9   0        122.11        120.63       111.04 o
   4   9   0       2387.96       3019.89       320.30 o
   6   9   0        188.34         79.45       206.40 o
   8   9   0        245.30        402.15       218.30 o
   0  10   0       1625.36       1591.30       667.81 o
   2  10   0       2390.52       2477.79       268.88 o
   4  10   0       3849.21       3965.05       331.39 o
   6  10   0       5358.30       5939.09       564.56 o
   8  10   0       3105.94       3262.60       405.84 o
   2  11   0        492.54        625.79       204.18 o
   4  11   0         26.17         13.01       103.79 o
   6  11   0        507.07        620.08       281.11 o
   0  12   0      27844.96      26628.79      2880.71 o
   2  12   0      25773.96      24939.62      1034.22 o
   4  12   0      12985.69      13659.69      1759.95 o
   6  12   0       6771.66       7278.00       776.90 o
   2  13   0          8.65         -8.67       102.12 o
   4  13   0        116.39         28.61        97.96 o
   0  14   0        903.98        547.45       318.64 o
   2  15   0         19.56         67.17       137.08 o
   1   0   1      44154.26      42977.37      1428.62 o
   2   0   1       9840.58       9616.59       392.00 o
   3   0   1      64753.58      62539.20      2099.13 o
   4   0   1      19978.17      20322.48      1122.69 o
   5   0   1      20453.20      20056.04       811.90 o
   6   0   1       7110.18       6359.88       528.87 o
   7   0   1      22094.57      19352.89      1159.80 o
   8   0   1       1931.99       2356.25       398.97 o
   9   0   1       7709.65       8544.48       681.96 o
  10   0   1        134.42        139.18       194.85 o
   0   1   1        104.64         47.06        16.63 o
   1   1   1        748.48        768.31        64.71 o
   2   1   1       3125.36       3691.52       122.11 o
   3   1   1       5997.05       4801.10       171.96 o
   5   1   1       3508.92       3810.49       231.22 o
   7   1   1        889.13        871.99       155.79 o
   8   1   1         36.69         90.40       123.49 o
   9   1   1        168.05         91.55       128.06 o
  10   1   1          0.69        171.65       194.85 o
   1   2   1     103580.38     108500.32      1567.28 o
   2   2   1      11364.05      10588.77       272.51 o
   3   2   1      96174.84     101359.38      2826.32 o
   4   2   1      10943.85      10181.65       326.05 o
   5   2   1      25489.62      28302.72       875.31 o
   6   2   1       7420.29       7077.03       280.99 o
   7   2   1      19474.63      20330.35       603.91 o
   8   2   1       1264.92       1869.86       206.26 o
   9   2   1       6357.80       6714.28       464.29 o
  10   2   1        106.80        114.83       139.16 o
   0   3   1      14831.66      12650.94       400.18 o
   1   3   1       2840.49       2744.86       122.56 o
   2   3   1       2593.18       2801.20       140.50 o
   3   3   1       2632.83       2586.81       155.63 o
   4   3   1       2490.34       2984.57       186.10 o
   5   3   1       2681.13       2671.69       160.27 o
   6   3   1          5.14        202.29        79.46 o
   7   3   1        942.46       1225.78       241.73 o
   8   3   1          2.65        109.00        97.80 o
   9   3   1         31.53        129.75       146.10 o
  10   3   1         47.38       -148.45       148.45 o
   1   4   1      39492.51      40201.55       761.89 o
   2   4   1       3203.16       3652.74       166.68 o
   3   4   1      48776.52      46195.68      1091.96 o
   4   4   1       8005.65       7357.19       265.07 o
   5   4   1      19798.85      19151.92       634.55 o
   6   4   1       2618.14       2820.98       182.90 o
   7   4   1      17078.20      17048.19       449.62 o
   8   4   1        728.74       1145.97       149.37 o
   9   4   1       6611.00       7047.06       385.56 o
  10   4   1         38.15        -18.07       103.69 o
   0   5   1       6518.37       6521.65       649.27 o
   1   5   1          1.53          1.21        45.04 o
   2   5   1      10559.06       9367.64       298.85 o
   3   5   1       4003.77       4241.19       191.92 o
   4   5   1        661.41        656.77        85.26 o
   5   5   1       1897.94       1982.59       171.09 o
   6   5   1        199.25        275.02        88.62 o
   7   5   1        375.94        237.95       131.05 o
   8   5   1        102.66        152.21       124.27 o
   9   5   1        200.43         39.88        96.56 o
  10   5   1         36.06         53.89       149.02 o
   1   6   1      48047.88      46838.51       926.40 o
   2   6   1       1671.94       2350.55       183.31 o
   3   6   1      42822.62      43667.22       811.59 o
   4   6   1       1311.38       1457.33       144.32 o
   5   6   1      17897.89      18985.93       731.99 o
   6   6   1       1132.98       1035.62       159.41 o
   7   6   1      11383.30      12102.16       915.67 o
   8   6   1        129.27         92.05        92.67 o
   9   6   1       4689.32       4246.14       458.45 o
   0   7   1      10344.69       9417.65       553.48 o
   1   7   1       1283.94       1561.60       166.14 o
   2   7   1       2480.92       2390.91       185.39 o
   3   7   1        530.71        843.22       107.08 o
   4   7   1       1845.64       2049.18       184.74 o
   5   7   1        807.43       1423.34       165.69 o
   6   7   1          1.69        189.89       129.63 o
   7   7   1        357.71        224.00       123.13 o
   8   7   1         17.98        120.25       119.69 o
   9   7   1          0.50        -91.41        91.41 o
   1   8   1      28590.34      27682.05       630.52 o
   2   8   1         78.14        -33.84        62.10 o
   3   8   1      25643.58      24792.04       567.17 o
   4   8   1        468.31        639.66       122.90 o
   5   8   1      14674.04      15342.81       543.33 o
   6   8   1         54.47         52.94        98.43 o
   7   8   1       8877.50       9215.08       643.82 o
   8   8   1         19.13         47.03       120.47 o
   9   8   1       4058.54       3885.71       528.43 o
   0   9   1       1287.43       1438.28       267.79 o
   1   9   1          3.69         34.26        69.79 o
   2   9   1       3149.88       3759.57       252.04 o
   3   9   1        964.43       1299.94       153.34 o
   4   9   1        106.59         36.11        81.69 o
   5   9   1        515.40        803.97       161.09 o
   6   9   1         46.51        122.97       136.06 o
   7   9   1        105.18       -129.09       198.20 o
   8   9   1         50.59         95.00       135.31 o
   1  10   1      14502.26      14062.59       430.68 o
   2  10   1         31.93        -21.10        69.87 o
   3  10   1      12410.60      12458.59       593.35 o
   4  10   1          0.75         36.58        72.34 o
   5  10   1       8258.16       7998.87       424.16 o
   6  10   1          6.72        -90.76        90.76 o
   7  10   1       4808.54       4084.36       557.04 o
   8  10   1          2.47       -113.75       113.75 o
   0  11   1       1528.75       1418.06       239.65 o
   1  11   1        156.48         81.26        86.07 o
   2  11   1        112.57        117.37        96.83 o
   3  11   1         79.23         90.30       106.74 o
   4  11   1        266.12        -53.84        71.94 o
   5  11   1         97.71         48.58       135.39 o
   6  11   1          8.87         21.74       140.27 o
   7  11   1         41.54        129.90       412.89 o
   1  12   1      14387.99      13518.22       575.71 o
   2  12   1          9.47        -59.13        81.48 o
   3  12   1      11038.35      10933.02       572.90 o
   4  12   1          0.13        -58.87        79.95 o
   5  12   1       7081.24       8392.10       689.24 o
   6  12   1         13.65       -126.29       126.29 o
   0  13   1          0.61        -40.24       122.05 o
   1  13   1          1.36        -72.86        85.48 o
   2  13   1        301.97        148.39        83.65 o
   3  13   1        111.45          2.64        93.23 o
   4  13   1          4.02         13.75        91.13 o
   5  13   1         84.63        -36.85       136.55 o
   1  14   1       3446.36       2536.93       396.47 o
   2  14   1          0.05          3.83        83.28 o
   3  14   1       3143.19       2232.76       561.00 o
   4  14   1         12.86        -84.08        84.08 o
   0  15   1        112.03        -28.54       120.96 o
   1  15   1          5.98        -59.58        87.82 o
   2  15   1         10.20          7.91       245.26 o
   0   0   2     116590.66     123980.12      3488.94 o
   1   0   2      11490.03      10735.14       216.07 o
   2   0   2     397564.31     404527.97      7467.53 o
   3   0   2       3872.74       3731.01       158.85 o
   4   0   2      57219.68      62007.68      2149.98 o
   5   0   2         93.39        226.19       120.84 o
   6   0   2      39591.05      40050.43      1511.88 o
   7   0   2        409.96        745.39       199.38 o
   8   0   2      15196.72      15841.48      1076.29 o
   9   0   2        321.07        231.96       250.52 o
  10   0   2       2791.60       2551.10       487.12 o
   1   1   2       6190.34       5510.82       111.80 o
   2   1   2       3509.99       3031.62       109.27 o
   3   1   2        929.03       1142.20        89.53 o
   4   1   2       1654.01       1552.52       123.34 o
   5   1   2        442.29        622.39       125.80 o
   6   1   2       2318.93       2571.78       232.89 o
   7   1   2         22.10        225.43       140.60 o
   8   1   2        101.45        128.91       114.79 o
   9   1   2          0.25         35.32       117.57 o
  10   1   2         55.37       -111.53       111.53 o
   0   2   2      27092.98      28114.66       642.48 o
   1   2   2      10628.03       9855.19       192.69 o
   2   2   2      36518.79      35940.48       651.24 o
   3   2   2       1260.82       1231.71        87.14 o
   4   2   2       1354.18       1620.15       123.61 o
   5   2   2         18.83        -34.96        60.71 o
   6   2   2      14848.84      15155.30       516.68 o
   7   2   2        539.67        761.82       285.31 o
   8   2   2      11431.70      11627.71       509.17 o
   9   2   2        252.28        312.10       348.02 o
  10   2   2       2837.53       2571.80       341.38 o
   1   3   2       2796.62       3021.92       133.66 o
   2   3   2        187.84        149.07        55.81 o
   3   3   2       4017.03       4357.07       193.72 o
   4   3   2       7608.41       6788.76       252.05 o
   5   3   2        128.49        104.98        79.07 o
   6   3   2         28.57        -25.08        65.64 o
   7   3   2        136.94         13.94       109.29 o
   8   3   2       1028.83       1242.41       385.78 o
   9   3   2         24.02       -124.61       124.61 o
  10   3   2          0.40        459.28       352.58 o
   0   4   2     107487.18     113875.70      3182.52 o
   1   4   2       3792.49       4362.73       170.64 o
   2   4   2     231172.22     226162.30      7513.08 o
   3   4   2       1431.33       1702.98       161.54 o
   4   4   2      51914.31      52169.23      1134.40 o
   5   4   2         70.38        112.33        78.40 o
   6   4   2      29186.07      28409.37       720.49 o
   7   4   2        188.87         33.77        90.41 o
   8   4   2      12131.47      12619.12       445.13 o
   9   4   2        135.85        133.01       131.95 o
  10   4   2       2669.06       1988.49       320.50 o
   1   5   2       4838.71       5962.49       324.87 o
   2   5   2       3996.73       4892.97       259.52 o
   3   5   2          7.70         30.90        54.19 o
   4   5   2         48.97        138.14        81.78 o
   5   5   2       1453.13       1773.76       239.25 o
   6   5   2       3535.83       3737.48       304.96 o
   7   5   2        168.88        156.01       107.06 o
   8   5   2         75.13         86.71       111.72 o
   9   5   2          7.69        -84.99        84.99 o
   0   6   2        519.47        847.00       150.34 o
   1   6   2       1317.01       1854.03       178.68 o
   2   6   2      11652.50      10543.81       364.32 o
   3   6   2         97.87         55.95        59.74 o
   4   6   2       4881.94       6015.36       289.96 o
   5   6   2          0.60        -34.34        91.80 o
   6   6   2       8939.45       9441.43       429.70 o
   7   6   2        119.23        158.45       100.36 o
   8   6   2       7440.31       8334.01       484.91 o
   9   6   2         43.33        -59.16       151.00 o
   1   7   2        986.61       1202.74       149.47 o
   2   7   2         18.79         37.60        76.06 o
   3   7   2       2713.45       3924.92       315.51 o
   4   7   2       4349.48       5632.68       405.95 o
   5   7   2        187.42        -59.17        95.68 o
   6   7   2         72.80         48.43        97.73 o
   7   7   2        156.55         25.90       115.07 o
   8   7   2        728.32        636.88       154.69 o
   9   7   2         15.26         42.35       136.50 o
   0   8   2      67481.96      68716.80      1878.78 o
   1   8   2        118.63        227.81        99.91 o
   2   8   2      69006.98      68288.57      1428.34 o
   3   8   2         53.60         62.10       105.90 o
   4   8   2      32137.98      30491.77       685.66 o
   5   8   2         20.45         64.78       117.01 o
   6   8   2      13769.36      14093.53       593.59 o
   7   8   2         16.68         47.75       149.79 o
   8   8   2       6437.29       5160.84       466.53 o
   1   9   2       1807.46       2507.26       245.42 o
   2   9   2        917.73       1316.65       221.91 o
   3   9   2         29.40        -74.20       101.14 o
   4   9   2         82.72         -9.70        81.32 o
   5   9   2        579.59        813.11       160.26 o
   6   9   2        878.84       1524.44       293.08 o
   7   9   2         34.03        -92.14       128.09 o
   8   9   2         48.82        -74.89        98.78 o
   0  10   2       2762.51       3074.33       363.16 o
   1  10   2          4.92        -67.45        67.45 o
   2  10   2       3404.75       3926.23       317.76 o
   3  10   2          2.27        -43.77       100.46 o
   4  10   2       5096.66       5241.18       318.46 o
   5  10   2          0.74        -91.74        91.74 o
   6  10   2       4314.06       4301.53       945.40 o
   7  10   2          3.63        -43.03       157.36 o
   1  11   2        428.51        505.54       179.38 o
   2  11   2          0.56        -72.88        72.88 o
   3  11   2        634.80       1035.79       203.12 o
   4  11   2        617.45       1258.62       212.81 o
   5  11   2          3.05       -104.19       104.19 o
   6  11   2          1.14        -35.23       109.18 o
   7  11   2         25.66        -70.27       163.37 o
   0  12   2      24382.73      23352.29       955.81 o
   1  12   2          2.91         18.72       132.63 o
   2  12   2      17868.39      17584.99       650.44 o
   3  12   2          2.16        119.83        76.89 o
   4  12   2      12083.05      12346.50       607.07 o
   5  12   2          0.75         36.23       122.89 o
   6  12   2       5222.84       6027.91       451.65 o
   1  13   2        448.98        363.87       163.81 o
   2  13   2         51.10        -39.73        67.87 o
   3  13   2         82.14          7.51        76.62 o
   4  13   2          5.03        -55.10        73.44 o
   5  13   2         89.25         29.00        99.59 o
   0  14   2       2000.82       1005.63       398.28 o
   1  14   2          3.52        -79.59        79.59 o
   2  14   2       1584.08       1539.84       443.89 o
   3  14   2          0.66         -3.13        93.04 o
   4  14   2       2279.44       1223.46       470.20 o
   1  15   2        143.98          8.17       107.43 o
   1   0   3      46974.91      46954.77      1044.82 o
   2   0   3       5027.08       4370.97       182.10 o
   3   0   3       5954.08       6040.34       226.42 o
   4   0   3       1900.12       2247.17       188.50 o
   5   0   3      50241.07      47552.57      1425.40 o
   6   0   3       4863.01       5877.36       450.00 o
   7   0   3       5950.64       6777.41       658.77 o
   8   0   3        865.71       1183.00       403.61 o
   9   0   3       7896.56       8284.68       751.55 o
  10   0   3        222.84        436.08       269.07 o
   0   1   3       5271.25       5022.88       150.48 o
   1   1   3       1719.62       2349.78        81.02 o
   2   1   3        705.84       1226.44        70.61 o
   3   1   3       1343.31       1489.52        94.63 o
   4   1   3       1894.50       2577.48       135.48 o
   5   1   3       1787.20       1955.70       149.97 o
   6   1   3        233.04        392.19        97.50 o
   7   1   3        692.70        385.12       139.97 o
   8   1   3         88.32        141.30       144.08 o
   9   1   3         37.70        -49.77       107.66 o
  10   1   3         16.39        231.79       218.04 o
   1   2   3     117828.88     117316.67      2491.25 o
   2   2   3        538.28        782.38        66.51 o
   3   2   3      28090.57      30227.86       547.19 o
   4   2   3       6643.95       6306.87       294.50 o
   5   2   3      60105.55      60949.77      1193.54 o
   6   2   3       1478.05       1830.37       176.50 o
   7   2   3       6932.48       7564.55       469.63 o
   8   2   3       1114.91       1592.71       371.43 o
   9   2   3       6870.47       7086.76       744.36 o
  10   2   3        156.97        -32.38       137.75 o
   0   3   3         59.43        -37.23        48.70 o
   1   3   3        816.67       1117.62        82.73 o
   2   3   3       7542.06       7073.09       191.48 o
   3   3   3       4334.76       4460.38       265.27 o
   4   3   3          8.84         92.81        56.15 o
   5   3   3       1058.38        873.40       135.55 o
   6   3   3        777.97        727.08       134.02 o
   7   3   3        132.65        196.93        99.96 o
   8   3   3         52.24        -28.05       133.88 o
   9   3   3        228.78        324.74       236.60 o
  10   3   3          0.20       -105.64       105.64 o
   1   4   3      36218.27      36676.98       731.95 o
   2   4   3       2221.28       2425.92       143.83 o
   3   4   3       9845.43       9761.78       251.29 o
   4   4   3        514.39        527.18        87.40 o
   5   4   3      33706.23      32231.47       874.80 o
   6   4   3       2146.00       2304.42       217.41 o
   7   4   3       6730.76       7676.76       322.61 o
   8   4   3        296.49        243.08       131.73 o
   9   4   3       6056.64       6258.88       693.34 o
   0   5   3      10932.92       9094.74       331.57 o
   1   5   3       4878.76       5113.02       197.20 o
   2   5   3        183.10         37.72        47.73 o
   3   5   3         14.51         11.87        55.60 o
   4   5   3       3485.23       3867.00       210.43 o
   5   5   3       1119.76       1316.87       191.57 o
   6   5   3         17.38          3.45       119.11 o
   7   5   3        788.89        712.19       165.12 o
   8   5   3         62.62        169.07       117.01 o
   9   5   3          3.65        322.01       152.47 o
   1   6   3      52954.95      52157.80      1072.32 o
   2   6   3          9.00        -49.16        49.16 o
   3   6   3      23101.63      22777.93       545.52 o
   4   6   3       1365.50       1493.16       171.14 o
   5   6   3      26680.84      26446.48       717.72 o
   6   6   3        114.45         91.29       102.33 o
   7   6   3       6990.05       7170.97       501.15 o
   8   6   3        173.01        374.25       143.77 o
   9   6   3       4196.53       3951.74       395.25 o
   0   7   3        200.01          2.51       103.61 o
   1   7   3       1251.17       1756.43       224.46 o
   2   7   3       5467.76       5614.37       276.28 o
   3   7   3       2114.62       2758.41       224.39 o
   4   7   3         14.26         20.34        73.83 o
   5   7   3        292.67        483.68       130.88 o
   6   7   3        457.10        414.99       153.32 o
   7   7   3          2.02       -108.71       108.71 o
   8   7   3         25.62        166.55       126.45 o
   9   7   3        138.78        131.24       133.24 o
   1   8   3      20006.37      21021.99       540.29 o
   2   8   3        236.59         87.55        81.51 o
   3   8   3      12741.90      12935.93       450.89 o
   4   8   3          6.69         40.83        87.12 o
   5   8   3      13333.70      13540.58       770.72 o
   6   8   3        172.07        144.89       201.91 o
   7   8   3       6038.53       6440.27       524.02 o
   8   8   3          1.39         94.51       134.21 o
   0   9   3       4052.93       3632.67       353.50 o
   1   9   3       1327.16       1843.06       185.93 o
   2   9   3          1.87         37.67        78.96 o
   3   9   3          0.45         94.56        89.04 o
   4   9   3       1250.95       1320.07       145.12 o
   5   9   3        264.33        330.99       139.24 o
   6   9   3         23.48        245.69       148.01 o
   7   9   3        271.00        468.06       206.94 o
   8   9   3         16.61        -70.71       177.37 o
   1  10   3      15510.45      15376.28       525.79 o
   2  10   3         27.80        117.88        91.05 o
   3  10   3      11519.29      10988.31       480.36 o
   4  10   3         65.02        -38.28       108.82 o
   5  10   3       8020.00       7783.13       722.08 o
   6  10   3         12.93       -149.39       149.99 o
   7  10   3       4352.46       2885.12       988.15 o
   0  11   3         66.32        -82.65       238.17 o
   1  11   3        147.29         65.98        98.37 o
   2  11   3       1176.59        995.56       192.00 o
   3  11   3        231.26         29.38       130.05 o
   4  11   3         29.75          6.27        61.29 o
   5  11   3         37.52        -88.92       104.77 o
   6  11   3         80.64        234.80       328.61 o
   1  12   3       9068.91       9182.84       441.70 o
   2  12   3         10.55        -65.15        65.15 o
   3  12   3       7628.67       7374.04       880.29 o
   4  12   3         36.23        -42.23        79.65 o
   5  12   3       4843.74       5781.27       583.69 o
   6  12   3          2.26        -74.23       269.07 o
   0  13   3        728.37        469.62       299.53 o
   1  13   3         81.42         22.96       101.93 o
   2  13   3        152.10        -38.99        79.65 o
   3  13   3          6.20          3.56        74.51 o
   4  13   3        211.05         48.47       114.22 o
   1  14   3       3906.32       3802.45       523.75 o
   2  14   3         10.23        -98.78        98.78 o
   3  14   3       3588.62       2626.45       586.45 o
   0   0   4     179513.84     182483.19      6021.85 o
   1   0   4      19124.82      17418.82       368.21 o
   2   0   4      55614.56      56031.50      1148.33 o
   3   0   4       3004.29       3429.50       349.54 o
   4   0   4      77209.98      78246.66      1954.89 o
   5   0   4        285.81        342.89        97.20 o
   6   0   4      14414.83      14630.38       615.69 o
   7   0   4        816.82       1511.27       621.65 o
   8   0   4      10019.34      11369.75       932.48 o
   9   0   4        544.92        291.66       248.20 o
   1   1   4       4671.41       4287.07       120.52 o
   2   1   4        759.94        921.34        67.46 o
   3   1   4       3043.48       3563.54       155.91 o
   4   1   4       1812.20       2357.49       135.12 o
   5   1   4          0.27         28.59        55.39 o
   6   1   4        464.88        696.65       105.79 o
   7   1   4         31.35        -47.25        82.83 o
   8   1   4        279.60        104.26       139.06 o
   9   1   4         26.80        -86.78       194.96 o
   0   2   4      26769.17      26525.02       555.35 o
   1   2   4      11720.62      10322.84       191.32 o
   2   2   4       1810.02       2142.86       111.76 o
   3   2   4       5856.70       6079.78       172.34 o
   4   2   4      24606.68      24862.91       612.79 o
   5   2   4         48.88        176.02        77.81 o
   6   2   4       6432.65       6665.78       262.53 o
   7   2   4        305.78        367.25       111.17 o
   8   2   4       7936.70       8080.10       413.32 o
   9   2   4        495.47        529.65       185.56 o
   1   3   4       6591.23       5611.18       148.98 o
   3   3   4         58.40          7.48        45.60 o
   4   3   4        524.73        826.40        94.60 o
   5   3   4       1666.50       2095.52       167.28 o
   6   3   4       1473.07       2112.67       232.98 o
   7   3   4        349.93        305.00       123.23 o
   8   3   4          5.72        -16.98       115.02 o
   9   3   4         11.96        -93.88        93.88 o
   0   4   4     114329.73     112319.63      2417.43 o
   1   4   4       7293.01       7525.47       203.91 o
   2   4   4      49204.60      49256.64       871.88 o
   3   4   4        939.16        847.99        94.81 o
   4   4   4      52119.98      50150.82       853.44 o
   5   4   4        105.40         -5.54        68.82 o
   6   4   4      13455.44      12654.92       468.50 o
   7   4   4        406.81        561.13       158.78 o
   8   4   4       7743.51       7884.48       476.69 o
   9   4   4        240.51        157.83       128.54 o
   1   5   4       1850.02       1907.90       129.31 o
   2   5   4        156.04        160.61        65.06 o
   3   5   4       5404.53       5787.71       214.54 o
   4   5   4       1639.83       2219.94       174.51 o
   5   5   4        563.43        629.65       110.18 o
   6   5   4          7.68        -58.54        93.68 o
   7   5   4        448.81        414.41       167.05 o
   8   5   4        425.48        500.76       190.32 o
   9   5   4         76.18         75.34       124.17 o
   0   6   4      12621.02      11760.51       427.20 o
   1   6   4       1426.62       1590.60       117.87 o
   2   6   4       5592.13       6292.66       241.16 o
   3   6   4        900.36       1201.75       115.32 o
   4   6   4      12442.01      12085.67       307.65 o
   5   6   4         61.66        160.64        92.91 o
   6   6   4       6563.80       7649.82       343.85 o
   7   6   4         59.28        -27.47        96.13 o
   8   6   4       4987.92       5329.29       333.66 o
   9   6   4         93.92         45.51       139.18 o
   1   7   4       3664.05       4411.61       214.22 o
   2   7   4        551.00       1078.60       116.59 o
   3   7   4         12.34        -47.23        67.35 o
   4   7   4         89.36        154.28        76.31 o
   5   7   4       1564.62       2521.88       201.43 o
   6   7   4        885.67       1141.22       269.07 o
   7   7   4        315.56        282.55       144.34 o
   8   7   4          3.68        250.71       154.88 o
   0   8   4      39214.28      38495.97      1048.60 o
   1   8   4        307.44        612.23       106.24 o
   2   8   4      29245.43      29428.08       719.03 o
   3   8   4          2.69        -65.13        65.13 o
   4   8   4      20013.22      19530.47       486.42 o
   5   8   4          2.77         20.53        88.86 o
   6   8   4       9063.13       9281.88       427.55 o
   7   8   4         44.79        -32.36       137.33 o
   8   8   4       4062.89       4032.51       357.86 o
   1   9   4        869.42       1430.58       180.57 o
   2   9   4         23.75        188.36       105.73 o
   3   9   4       2140.82       2891.86       237.85 o
   4   9   4        388.84        138.48       126.91 o
   5   9   4        107.55         58.08       109.98 o
   6   9   4          1.80        -69.03       107.68 o
   7   9   4        182.48        160.39       380.94 o
   0  10   4       5287.08       5498.20       599.89 o
   1  10   4          0.06        -25.82        90.63 o
   2  10   4       5789.75       6463.02       337.65 o
   3  10   4          6.46        116.46       111.60 o
   4  10   4       5120.67       5669.43       331.75 o
   5  10   4         19.72        -33.22        68.02 o
   6  10   4       4248.29       5158.37       499.47 o
   7  10   4          0.94        119.41       183.39 o
   1  11   4       1025.78       1267.90       164.86 o
   2  11   4         91.82        247.59       118.04 o
   3  11   4         33.49        -53.26        61.75 o
   4  11   4         30.88        -48.60        75.54 o
   5  11   4        299.41        205.29       193.34 o
   6  11   4        160.47       -130.43       237.04 o
   0  12   4      11105.78      12980.51       813.62 o
   1  12   4          4.17        -36.03        94.33 o
   2  12   4      10678.20      10394.90       688.05 o
   3  12   4          9.76        -14.81        85.53 o
   4  12   4       6383.56       7501.52      1016.40 o
   5  12   4          0.48          1.49       111.85 o
   1  13   4        384.50        316.74       120.86 o
   2  13   4          3.28        -70.04       112.03 o
   3  13   4        396.17        302.22       128.75 o
   4  13   4         25.32         51.98       110.68 o
   0  14   4       2346.23       3274.81      1039.18 o
   1  14   4          6.37         -6.59        98.41 o
   2  14   4       2667.59       2449.03       876.81 o
   1   0   5       8299.98       8889.98       258.95 o
   2   0   5        477.61        368.04        74.09 o
   3   0   5      38495.62      38463.05      1136.62 o
   4   0   5        491.05        509.24       172.01 o
   5   0   5       1528.63       1430.06       175.78 o
   6   0   5          7.20         50.07        90.71 o
   7   0   5      17565.56      15824.52       713.91 o
   8   0   5        517.46       1035.90       244.17 o
   9   0   5       2404.76       2282.49       514.95 o
   0   1   5        552.55        623.46        91.62 o
   1   1   5         58.90        203.97        46.71 o
   2   1   5       1174.51       1330.57        81.69 o
   3   1   5        996.03       1370.93       111.86 o
   4   1   5        299.15        332.68        81.80 o
   5   1   5        328.80        292.20        76.55 o
   6   1   5        439.76        652.13       106.97 o
   7   1   5        131.53        163.31        99.05 o
   8   1   5         31.92        -20.35       124.14 o
   9   1   5         77.87        -59.42       145.73 o
   1   2   5      43315.46      42343.09       622.51 o
   2   2   5        130.15         73.36        39.60 o
   3   2   5      70955.70      67239.97      1157.63 o
   4   2   5        251.14        237.04        77.91 o
   5   2   5       6595.68       7269.56       332.18 o
   6   2   5        529.64        556.62       150.42 o
   7   2   5      18636.25      17753.41       795.84 o
   8   2   5        191.90         51.87        96.13 o
   9   2   5       2505.86       2348.09       288.42 o
   0   3   5       1752.75       1856.56       198.79 o
   1   3   5       2538.23       2960.96       150.03 o
   2   3   5        111.37        143.89        57.28 o
   3   3   5         70.84         72.34        57.11 o
   4   3   5       1384.59       1510.41       121.77 o
   5   3   5        582.20        457.76       108.86 o
   6   3   5          2.99         24.72        84.32 o
   7   3   5        246.59        196.09       119.33 o
   8   3   5        195.03        256.74       120.48 o
   9   3   5          7.28        -19.90       137.53 o
   1   4   5       9237.72       9812.00       229.15 o
   2   4   5        300.17        301.83        69.22 o
   3   4   5      25822.10      25385.34       529.90 o
   4   4   5        294.05        231.98        75.31 o
   5   4   5       3202.05       3608.39       258.48 o
   6   4   5          0.46        -96.06        96.06 o
   7   4   5      11845.97      11941.51       624.72 o
   8   4   5        238.51        -13.89       111.30 o
   9   4   5       2529.62       2318.28       309.46 o
   0   5   5        125.57        243.94       108.16 o
   1   5   5       1908.98       2035.87       200.20 o
   2   5   5       1913.60       2161.13       136.95 o
   3   5   5       2153.63       2555.34       164.86 o
   4   5   5          4.17        172.19        72.62 o
   5   5   5         65.43        172.76        78.63 o
   6   5   5        801.37        759.69       145.22 o
   7   5   5         19.68        102.69       113.71 o
   8   5   5          1.34          5.95       107.26 o
   1   6   5      28265.45      26952.35       597.52 o
   2   6   5         62.37         92.66        60.64 o
   3   6   5      32376.59      30452.56       610.79 o
   4   6   5        137.30        120.39        92.57 o
   5   6   5       8358.15       8940.81       316.61 o
   6   6   5        137.65        129.27       107.99 o
   7   6   5       8951.62       8874.76       604.92 o
   8   6   5         22.57       -130.63       142.87 o
   0   7   5       1288.39        722.48       153.45 o
   1   7   5       2133.82       2618.59       172.55 o
   2   7   5         39.04        234.10        82.01 o
   3   7   5        289.93        262.82       107.53 o
   4   7   5        963.08       1091.29       160.05 o
   5   7   5        217.50         94.90        85.88 o
   6   7   5          9.69         -7.29        79.78 o
   7   7   5        119.37         82.02       123.85 o
   8   7   5        121.88        219.89       138.09 o
   1   8   5       8434.66      10031.59       324.51 o
   2   8   5         81.30         61.12        91.10 o
   3   8   5      10329.29      11425.12       341.04 o
   4   8   5         73.09         67.35        83.01 o
   5   8   5       5100.74       5776.99       355.19 o
   6   8   5         13.90          2.69       117.04 o
   7   8   5       4704.50       4774.78       597.90 o
   0   9   5        214.21        178.27       123.64 o
   1   9   5        610.19        581.12       140.84 o
   2   9   5        855.88        723.00       130.52 o
   3   9   5        585.25        803.58       171.25 o
   4   9   5         24.90        -18.75        56.49 o
   5   9   5         20.25         28.78        95.72 o
   6   9   5        287.75         67.95        83.33 o
   7   9   5          2.86        -57.90       148.07 o
   1  10   5      12141.82      12827.83       491.12 o
   2  10   5         15.89         71.49       100.89 o
   3  10   5       9894.35       9718.43       444.88 o
   4  10   5         35.97          4.83        64.41 o
   5  10   5       5802.41       6343.27       486.88 o
   6  10   5         11.25         58.54        92.41 o
   0  11   5        390.61         70.45       160.33 o
   1  11   5        240.30        450.98       149.30 o
   2  11   5         96.31         35.46       108.09 o
   3  11   5         43.14        -65.68        65.68 o
   4  11   5        207.67         22.66       123.62 o
   5  11   5         11.88       -114.37       114.37 o
   1  12   5       4684.84       4644.97       352.25 o
   2  12   5         11.27        -66.40        74.96 o
   3  12   5       3886.03       4164.29       408.88 o
   4  12   5         10.76         21.59        80.99 o
   0  13   5        198.65         -7.96       132.26 o
   1  13   5         27.25        -34.66        94.15 o
   2  13   5        223.67        237.15       129.55 o
   0   0   6      39834.20      38936.80      1078.06 o
   1   0   6       6817.64       6637.72       263.50 o
   2   0   6      36695.95      37909.15       799.46 o
   3   0   6       4938.19       5350.00       400.93 o
   4   0   6      14682.35      14112.38       556.22 o
   5   0   6         45.07        197.66       237.95 o
   6   0   6      18497.58      17604.59      1386.89 o
   7   0   6         24.22        -96.88        96.88 o
   8   0   6       2581.89       1904.30       593.59 o
   1   1   6       1849.71       1951.12       101.90 o
   2   1   6        151.66        256.32        60.62 o
   3   1   6        216.17        196.25        67.38 o
   4   1   6        461.44        429.11        95.27 o
   5   1   6        193.15        168.17       108.84 o
   6   1   6        212.44        200.61       108.65 o
   7   1   6         69.73        -17.74        93.82 o
   8   1   6         40.68        -20.39       107.18 o
   0   2   6      14072.53      12684.20       353.43 o
   1   2   6       7247.83       7346.13       200.39 o
   2   2   6      14459.03      14797.43       277.66 o
   3   2   6       1417.30       1402.62       112.36 o
   4   2   6       6483.17       6424.40       331.89 o
   5   2   6        653.59        733.99       145.55 o
   6   2   6      12852.44      12128.56       488.19 o
   7   2   6        186.66        283.25       117.18 o
   8   2   6       2270.73       2119.50       280.98 o
   1   3   6        750.12        702.48        75.62 o
   2   3   6        377.59        437.53        75.49 o
   3   3   6       1670.06       1915.86       129.14 o
   4   3   6        165.61        393.39       104.20 o
   5   3   6        301.34        349.23       124.93 o
   6   3   6        224.00        343.65       128.06 o
   7   3   6        170.15         49.97       108.69 o
   8   3   6        130.60       -136.60       136.60 o
   0   4   6      31037.96      31489.67       788.68 o
   1   4   6       2497.70       2802.21       156.61 o
   2   4   6      27083.81      26421.46       499.25 o
   3   4   6       2054.41       2972.83       191.54 o
   4   4   6      13227.75      13156.00       399.63 o
   5   4   6          1.82        -60.73        86.33 o
   6   4   6      13072.71      13821.61       467.05 o
   7   4   6         12.77        -85.47        97.61 o
   8   4   6       2743.85       2397.20       319.63 o
   1   5   6       1878.98       2114.42       141.46 o
   2   5   6         11.08        262.63        78.02 o
   3   5   6         21.06         31.20        82.38 o
   4   5   6        410.55        814.79       147.88 o
   5   5   6       1037.85       1531.12       164.84 o
   6   5   6         88.86         63.62       120.09 o
   7   5   6        371.11        668.18       204.74 o
   8   5   6          0.54        110.30       174.99 o
   0   6   6      11074.97      11361.42       437.94 o
   1   6   6       1071.72       1511.30       169.39 o
   2   6   6       9775.25       9823.69       287.70 o
   3   6   6         89.50        -60.78        71.76 o
   4   6   6       6544.61       7072.66       323.03 o
   5   6   6        119.06        127.86        96.12 o
   6   6   6       7003.61       7530.87       375.37 o
   7   6   6         67.85        -69.20       124.47 o
   1   7   6        261.97        194.72        83.39 o
   2   7   6        225.10        285.26        96.46 o
   3   7   6       1270.56       1339.15       151.60 o
   4   7   6         38.99        143.20       102.46 o
   5   7   6        356.29        187.18        89.73 o
   6   7   6        108.03         43.84        87.07 o
   7   7   6        211.56         66.83       153.65 o
   0   8   6      15216.33      17549.35       626.50 o
   1   8   6         54.18        -38.19        75.00 o
   2   8   6      12457.96      12540.94       384.17 o
   3   8   6        116.68        176.58        94.64 o
   4   8   6       8448.04       8015.32       385.31 o
   5   8   6         15.73        110.36        99.51 o
   6   8   6       5594.27       5748.09       420.91 o
   1   9   6        784.70        802.09       133.07 o
   2   9   6          0.55        -12.33        76.34 o
   3   9   6          0.06        -60.06        60.06 o
   4   9   6        107.10       -102.02       142.81 o
   5   9   6        425.68        167.91       137.23 o
   6   9   6         15.83         74.57       122.44 o
   0  10   6       6198.52       7032.45       553.02 o
   1  10   6          4.07        -71.48        86.06 o
   2  10   6       5195.54       6072.87       430.55 o
   3  10   6         15.26         60.49       121.91 o
   4  10   6       4330.11       3970.18       443.44 o
   5  10   6          3.33        -23.90        83.06 o
   1  11   6        119.09        146.38       125.33 o
   2  11   6         45.90         -0.68        91.49 o
   3  11   6        262.48        112.66        89.83 o
   4  11   6         14.68         45.47       109.58 o
   0  12   6       5241.13       4904.49       574.24 o
   1  12   6          9.62        -82.67        82.67 o
   2  12   6       4426.54       4659.45       470.16 o
   3  12   6          0.07        173.03       216.83 o
   1   0   7      11513.44      12063.09       388.53 o
   2   0   7        201.41        131.15        80.92 o
   3   0   7       2987.27       2967.73       217.46 o
   4   0   7       1342.22       2103.76       298.51 o
   5   0   7      14766.84      14444.86      1487.68 o
   6   0   7         22.41         30.06       120.86 o
   7   0   7       1121.05        882.01       355.24 o
   8   0   7          0.30        203.57       216.21 o
   0   1   7         27.36        -68.65        68.65 o
   1   1   7        159.55        248.40        65.51 o
   2   1   7         74.30         56.90        54.74 o
   3   1   7          0.24         16.49        63.54 o
   4   1   7        133.28        115.31        90.52 o
   5   1   7        138.53        -54.33       159.49 o
   6   1   7         18.05        -72.80        72.80 o
   7   1   7         36.47         13.29       119.09 o
   8   1   7         65.47        118.84       131.72 o
   1   2   7      29507.96      28616.20       470.47 o
   2   2   7        817.99        968.76        87.85 o
   3   2   7      11236.83      11525.04       331.16 o
   4   2   7        198.55        204.10        89.29 o
   5   2   7      20124.25      18001.32      1068.94 o
   6   2   7        251.80         95.66       104.04 o
   7   2   7       2004.52       1602.76       235.12 o
   8   2   7         21.16        -91.58        91.58 o
   0   3   7        125.54         73.42        80.22 o
   1   3   7        498.22        527.33        80.91 o
   2   3   7         32.77        -28.83        60.52 o
   3   3   7        575.91        454.59        96.69 o
   4   3   7          4.69        -79.12        79.12 o
   5   3   7          3.99        -69.26        69.26 o
   6   3   7        264.87        252.20       145.45 o
   7   3   7         30.27        283.45       203.09 o
   1   4   7       9198.30      10041.82       262.19 o
   2   4   7         64.06         29.85        65.07 o
   3   4   7       3754.56       3853.53       248.45 o
   4   4   7        655.05        915.05       148.01 o
   5   4   7      10072.48      10096.21       570.06 o
   6   4   7          2.97        -91.94       122.56 o
   7   4   7       1624.76       1114.95       249.74 o
   0   5   7          4.14         41.82        94.69 o
   1   5   7        994.10       1121.67       118.47 o
   2   5   7        111.83         50.68        72.84 o
   3   5   7        255.50         42.29        75.08 o
   4   5   7        239.50        401.96       109.48 o
   5   5   7        280.51        141.42        99.78 o
   6   5   7         20.75        -49.75       105.01 o
   7   5   7         22.39       -102.01       102.01 o
   1   6   7      17189.42      16792.32       398.37 o
   2   6   7        190.21        248.23        87.56 o
   3   6   7       9669.27       9996.41       348.13 o
   4   6   7         13.65        -64.53        64.53 o
   5   6   7       9939.63       9634.99       471.08 o
   6   6   7         56.19        141.50       130.82 o
   7   6   7       2546.47       1728.94       388.83 o
   0   7   7        134.51         61.74       124.91 o
   1   7   7        569.78        519.84       141.38 o
   2   7   7         13.97         51.90        83.11 o
   3   7   7        429.06        543.35       117.22 o
   4   7   7          0.11         48.36        66.47 o
   5   7   7         31.12        -73.46        73.46 o
   6   7   7        194.13        374.43       226.26 o
   1   8   7       5218.10       5649.77       275.83 o
   2   8   7          0.04        -84.00        84.00 o
   3   8   7       3924.33       4833.38       490.54 o
   4   8   7         76.26         89.17        74.23 o
   5   8   7       4110.96       4069.24       326.48 o
   0   9   7         14.56        -88.03        88.03 o
   1   9   7        299.26        311.45       121.98 o
   2   9   7         91.73         17.00        82.62 o
   3   9   7         82.52         89.41       103.02 o
   4   9   7        106.66        -71.16        71.16 o
   5   9   7         80.83        -22.35        77.16 o
   1  10   7       6976.44       7356.16       444.75 o
   2  10   7          9.75        -21.72        75.03 o
   3  10   7       5398.93       5132.27       621.31 o
   4  10   7          2.52         38.38       101.66 o
   0  11   7         51.57         65.26       153.91 o
   1  11   7         72.30         20.78        90.78 o
   2  11   7          7.97         -6.20        91.35 o
   0   0   8       8209.36       9668.50       621.41 o
   1   0   8       1853.04       2384.08       235.69 o
   2   0   8      15325.06      16436.01       523.07 o
   3   0   8        641.54        431.87       134.48 o
   4   0   8       9690.31       9423.89       721.19 o
   5   0   8        671.70        687.64       253.93 o
   6   0   8       2771.19       1871.00       415.62 o
   7   0   8          5.71         63.66       197.69 o
   1   1   8        148.78         96.35        69.70 o
   2   1   8         61.79         73.68        66.32 o
   3   1   8        100.94        141.04        81.06 o
   4   1   8         10.65        108.93        91.08 o
   5   1   8         10.23         33.04       119.18 o
   6   1   8         71.28         41.00       139.57 o
   7   1   8          3.01        -99.28        99.28 o
   0   2   8       5346.40       5533.35       300.82 o
   1   2   8        991.59       1308.09       158.65 o
   2   2   8      10834.72      11251.55       336.88 o
   3   2   8       1358.87       1658.52       173.48 o
   4   2   8       7033.01       6771.76       376.83 o
   5   2   8        113.84        -25.01       113.40 o
   6   2   8       2187.32       1506.21       536.05 o
   7   2   8         64.27        211.21       151.74 o
   1   3   8        196.92        292.15        78.64 o
   2   3   8          7.87         39.87        67.82 o
   3   3   8          2.58        185.83       103.67 o
   4   3   8        277.69        184.86       114.87 o
   5   3   8        101.59        -73.66       110.72 o
   6   3   8          0.07         59.81       148.61 o
   0   4   8       7470.61       8105.46       517.51 o
   1   4   8        725.36        846.61       117.53 o
   2   4   8      11653.10      11425.04       339.60 o
   3   4   8        195.68         59.62        95.67 o
   4   4   8       7600.89       6828.75       578.40 o
   5   4   8        289.64        397.42       172.48 o
   6   4   8       2805.50       2426.48       303.18 o
   1   5   8         69.71         28.42        72.58 o
   2   5   8        159.28         65.23        84.30 o
   3   5   8        245.08        252.89       114.50 o
   4   5   8         49.20        172.81        85.70 o
   5   5   8        109.42        135.35       131.45 o
   6   5   8        129.65         85.55       130.86 o
   0   6   8       5152.92       4911.67       368.59 o
   1   6   8         94.86        -71.84        71.84 o
   2   6   8       7060.83       7756.01       375.39 o
   3   6   8        238.90         90.13       149.48 o
   4   6   8       4806.45       5549.97       379.13 o
   5   6   8          1.80        -95.01        95.01 o
   1   7   8         97.50         27.99       109.49 o
   2   7   8         21.93        -56.42        86.11 o
   3   7   8         16.04        -19.51        71.99 o
   4   7   8        231.38        121.08        82.35 o
   5   7   8        104.11         -3.78        85.94 o
   0   8   8       5016.03       5042.81       440.00 o
   1   8   8         26.22        -75.93        85.33 o
   2   8   8       5642.09       4807.06       361.87 o
   3   8   8          0.11        -67.73        67.73 o
   4   8   8       3990.79       3895.55       365.48 o
   1   9   8         38.63        -66.44       105.16 o
   2   9   8         49.71         19.30        92.98 o
   3   9   8        104.52          3.95        96.65 o
   0  10   8       3442.90       3008.87       451.19 o
   1  10   8          2.81        -35.57       104.17 o
   1   0   9       4703.86       4689.85       381.07 o
   2   0   9        428.31        401.36       137.89 o
   3   0   9       5249.36       5501.99       723.18 o
   4   0   9        355.35        219.27       245.94 o
   5   0   9       1904.48       1123.61       370.56 o
   0   1   9          4.36        -73.20        87.81 o
   1   1   9          8.75         32.76        66.44 o
   2   1   9          4.29         34.51        68.93 o
   3   1   9         32.16         69.20        88.54 o
   4   1   9          3.72        -38.74       118.46 o
   5   1   9          0.07       -122.95       130.05 o
   1   2   9       8806.03       8045.76       435.90 o
   2   2   9        161.47        111.12        76.19 o
   3   2   9       8246.96       7361.67       350.40 o
   4   2   9        593.39        988.33       287.65 o
   5   2   9       3125.12       2398.61       320.41 o
   0   3   9         90.91        127.66       103.01 o
   1   3   9         98.84        173.18        85.38 o
   2   3   9         22.67        -28.10        68.43 o
   3   3   9         54.72        116.87       121.47 o
   4   3   9          1.15        -34.37       108.27 o
   5   3   9         81.14         21.13       140.77 o
   1   4   9       4128.35       4370.50       224.78 o
   2   4   9        194.59          8.05        85.47 o
   3   4   9       4200.94       4454.94       292.64 o
   4   4   9        130.82        303.30       150.02 o
   5   4   9       1977.82       1377.87       247.63 o
   0   5   9        103.99         32.18       163.56 o
   1   5   9        110.84         37.02        96.42 o
   2   5   9         30.51        -60.96        84.81 o
   3   5   9        156.64        105.61       108.69 o
   4   5   9          5.72        -24.12       116.32 o
   1   6   9       6077.01       5690.75       427.12 o
   2   6   9         20.75        -82.61        82.61 o
   3   6   9       5155.69       4667.36       363.51 o
   4   6   9        110.85        192.50       105.66 o
   0   7   9         97.72        272.81       315.57 o
   1   7   9         90.28        -76.29       135.40 o
   2   7   9         26.61        -87.97        96.02 o
   3   7   9         73.76         17.26        87.16 o
   1   8   9       2698.81       3077.15       297.80 o
   0   0  10       7559.93       9059.09       761.23 o
   1   0  10         79.68        170.07       135.05 o
   2   0  10       2739.23       2500.62       441.90 o
   3   0  10        253.85        206.57       199.51 o
   1   1  10          8.26        -72.51        72.51 o
   2   1  10          0.48        -43.71        80.02 o
   3   1  10          1.32       -116.11       122.82 o
   0   2  10       6442.45       6056.29       607.44 o
   1   2  10        108.02         74.79        94.01 o
   2   2  10       2373.11       2361.56       290.99 o
   3   2  10         68.89        -59.90       122.39 o
   1   3  10          3.98        -69.07        69.07 o
   2   3  10         30.85       -105.10       105.10 o
   3   3  10          1.04        -60.76       105.92 o
   0   4  10       5550.36       5531.03       485.24 o
   1   4  10         22.50        -28.48        88.61 o
   2   4  10       2621.01       2035.68       243.23 o
   1   5  10          7.90        -94.79       233.02 o
                                                



REM  5_a.res in Pnma
REM wR2 = 0.1069, GooF = S = 1.020, Restrained GooF = 1.020 for all data
REM R1 = 0.0437 for 563 Fo > 4sig(Fo) and 0.0787 for all 971 data
REM 28 parameters refined using 0 restraints

END  
     
WGHT      0.0225     23.7715 

REM Highest difference peak  1.805,  deepest hole -1.692,  1-sigma level  0.318
Q1    1   1.0157  0.8022  1.0330  11.00000  0.05    1.80
Q2    1   0.9658  0.7500  0.9450  10.50000  0.05    1.55
Q3    1   1.1111  0.7278  0.5167  11.00000  0.05    1.22
Q4    1   0.9954  0.5429  0.4317  11.00000  0.05    1.17
Q5    1   0.7002  0.4601  0.8248  11.00000  0.05    1.13

  REM The information below was added by Olex2.
  REM
  REM R1 = 0.0437 for 563 Fo > 4sig(Fo) and 0.0787 for all 6706 data
  REM n/a parameters refined using n/a restraints
  REM Highest difference peak 1.80, deepest hole -1.69
  REM Mean Shift 0, Max Shift 0.000.

  REM +++ Tabular Listing of Refinement Information +++
  REM R1_all = 0.0787
  REM R1_gt = 0.0437
  REM wR_ref = 0.1069
  REM GOOF = 1.020
  REM Shift_max = 0.000
  REM Shift_mean = 0
  REM Reflections_all = 6706
  REM Reflections_gt = 563
  REM Parameters = n/a
  REM Hole = -1.69
  REM Peak = 1.80
  REM Flack = n/a

  
;
_olex2_submission_special_instructions 'No special instructions were received'
