#------------------------------------------------------------------------------
#$Date: 2022-05-24 04:11:22 +0300 (Tue, 24 May 2022) $
#$Revision: 275622 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/49/7244973.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_7244973
loop_
_publ_author_name
'Hawkins, Bryson A.'
'Du, Jonathan J.'
'Lai, Felcia'
'Stanton, Stephen A.'
'Williams, Peter A.'
'Groundwater, Paul W.'
'Platts, James A.'
'Overgaard, Jacob'
'Hibbs, David E.'
_publ_section_title
;
 An experimental and theoretical charge density study of theophylline and
 malonic acid cocrystallization
;
_journal_issue                   25
_journal_name_full               'RSC Advances'
_journal_page_first              15670
_journal_page_last               15684
_journal_paper_doi               10.1039/D1RA08389A
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C3 H4 O4'
_chemical_formula_sum            'C3 H4 O4'
_chemical_formula_weight         103.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-03
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2021-11-03 deposited with the CCDC.	2022-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                108.1080(10)
_cell_angle_beta                 101.2440(10)
_cell_angle_gamma                95.2650(10)
_cell_formula_units_Z            2
_cell_length_a                   5.15560(10)
_cell_length_b                   5.32510(10)
_cell_length_c                   8.19420(10)
_cell_measurement_reflns_used    53972
_cell_measurement_temperature    149.9(5)
_cell_measurement_theta_max      65.4590
_cell_measurement_theta_min      4.0460
_cell_volume                     206.898(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.9(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2474
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00 150.00  109
  2  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00  60.00  109
  3  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00-120.00  109
  4  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00 -30.00  109
  5  ω    -31.00  70.00   1.00    5.93    --   41.57 -57.00-180.00  101
  6  ω     13.00 114.00   1.00    5.93    --   41.57  57.00-150.00  101
  7  ω     13.00 114.00   1.00    5.93    --   41.57  57.00 -30.00  101
  8  ω     13.00 114.00   1.00    5.93    --   41.57  57.00 120.00  101
  9  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00  30.00  109
 10  ω     62.00 158.00   1.00   35.00    --   90.50  59.00  29.18   96
 11  ω     64.00 158.00   1.00   35.00    --   90.50  50.00-169.21   94
 12  ω     62.00 158.00   1.00   35.00    --   90.50  57.00 -91.18   96
 13  ω     62.00 158.00   1.00   35.00    --   90.50  60.00 -20.94   96
 14  ω     62.00 158.00   1.00   35.00    --   90.50  60.00 136.33   96
 15  ω     63.00 158.00   1.00   35.00    --   90.50  56.00  58.10   95
 16  ω     13.00 124.00   1.00   35.00    --   90.50 -80.00 -78.01  111
 17  ω     62.00 158.00   1.00   35.00    --   90.50  57.00 115.81   96
 18  ω     13.00 124.00   1.00   35.00    --   90.50 -80.00 165.81  111
 19  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00  11.62  110
 20  ω     63.00 158.00   1.00   35.00    --   90.50  56.00 -37.04   95
 21  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00  93.92  110
 22  ω     62.00 158.00   1.00   35.00    --   90.50  57.00 151.35   96
 23  ω     62.00 158.00   1.00   35.00    --   90.50  60.00  91.21   96
 24  ω     62.00 158.00   1.00   35.00    --   90.50  57.00 -50.85   96
 25  ω     63.00 158.00   1.00   35.00    --   90.50  56.00 -75.71   95
 26  ω     64.00 158.00   1.00   35.00    --   90.50  47.00  18.20   94
 27  ω     65.00 158.00   1.00   35.00    --   90.50  45.00-150.00   93
 28  ω     17.00  77.00   1.00   35.00    --   90.50 -45.00 -90.00   60
 29  ω     17.00  77.00   1.00   35.00    --   90.50 -45.00-180.00   60
 30  ω     65.00 158.00   1.00   35.00    --   90.50  45.00-120.00   93
 31  ω     62.00 158.00   1.00   35.00    --   90.50  57.00-119.31   96
 32  ω     17.00  77.00   1.00   35.00    --   90.50 -45.00   0.00   60
 33  ω     62.00 158.00   1.00   35.00    --   90.50  58.00  81.17   96
 34  ω   -114.00 -13.00   1.00    5.93    --  -41.57 -57.00   0.00  101
 35  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00   0.00  109
 36  ω   -114.00 -13.00   1.00    5.93    --  -41.57 -57.00-180.00  101
 37  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00 120.00  109
 38  ω   -114.00 -13.00   1.00    5.93    --  -41.57 -57.00-120.00  101
 39  ω   -115.00 -16.00   1.00    5.93    --  -41.57 -41.00  65.86   99
 40  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00 -60.00  109
 41  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00-120.00  109
 42  ω    -31.00  70.00   1.00    5.93    --   41.57 -57.00-150.00  101
 43  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00 -90.00  109
 44  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00-150.00  109
 45  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00-180.00  109
 46  ω     17.00  77.00   1.00   35.00    --   90.50 -45.00  60.00   60
 47  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00  93.92  110
 48  ω     63.00 158.00   1.00   35.00    --   90.50  56.00-104.06   95
 49  ω     65.00 158.00   1.00   35.00    --   90.50  45.00-180.00   93
 50  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00 -60.00  109
 51  ω     63.00 158.00   1.00   35.00    --   90.50  52.00 -26.01   95
 52  ω     13.00 124.00   1.00   35.00    --   90.50 -80.00  39.67  111
 53  ω     62.00 158.00   1.00   35.00    --   90.50  59.00 101.61   96
 54  ω     65.00 158.00   1.00   35.00    --   90.50  45.00  90.00   93
 55  ω     65.00 158.00   1.00   35.00    --   90.50  45.00 150.00   93
 56  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00 122.30  110
 57  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00  30.00  109
 58  ω     13.00 124.00   1.00   35.00    --   90.50 -80.00 -78.01  111
 59  ω     13.00 124.00   1.00   35.00    --   90.50 -80.00 165.81  111
 60  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00-120.00  109
 61  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00 134.50  110
 62  ω     13.00 123.00   1.00   35.00    --   90.50 -79.00  11.62  110
 63  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00-180.00  109
 64  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00   0.00  109
 65  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00 -30.00  109
 66  ω     65.00 158.00   1.00   35.00    --   90.50  45.00  30.00   93
 67  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00 -90.00  109
 68  ω     14.00 123.00   1.00   35.00    --   90.50 -77.00-150.00  109
 69  ω     63.00 158.00   1.00   35.00    --   90.50  53.00  54.77   95
 70  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00-180.00  109
 71  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00-150.00  109
 72  ω   -118.00  -9.00   1.00    5.93    --  -41.57 -77.00-120.00  109
 73  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00  30.00  109
 74  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00 120.00  109
 75  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00 150.00  109
 76  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00  90.00  109
 77  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00  60.00  109
 78  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00   0.00  109
 79  ω    -35.00  74.00   1.00    5.93    --   41.57 -77.00 -30.00  109
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0815093000
_diffrn_orient_matrix_UB_12      0.0650888000
_diffrn_orient_matrix_UB_13      0.0864512000
_diffrn_orient_matrix_UB_21      -0.1162741000
_diffrn_orient_matrix_UB_22      0.0093654000
_diffrn_orient_matrix_UB_23      0.0342670000
_diffrn_orient_matrix_UB_31      0.0072683000
_diffrn_orient_matrix_UB_32      -0.1259137000
_diffrn_orient_matrix_UB_33      0.0116535000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_number            3476
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         45.294
_diffrn_reflns_theta_min         4.063
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.161
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             108
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.62
_exptl_crystal_size_min          0.36
_refine_diff_density_max         1.043
_refine_diff_density_min         -0.772
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.35(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     77
_refine_ls_number_reflns         3476
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0553P)²+0.0378P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1143
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3302
_reflns_number_total             3476
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra08389a2.cif
_cod_data_source_block           16jd001
_cod_database_code               7244973
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_formula         C3H4O4
_chemical_oxdiff_usercomment     'Malonic Acid'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.944
_shelx_estimated_absorpt_t_min   0.890
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     45.18
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 O01-H01
 1.015 with sigma of 0.02
 O04-H04
 1.015 with sigma of 0.02
 H02A-C02
 1.098 with sigma of 0.002
 H02B-C02
 1.098 with sigma of 0.002
;
_ins_header
;
TITL 16JD001 in P-1 
REM P-1 (#2 in standard setting)
CELL 0.71073   5.155569   5.325063   8.194224 108.1076 101.2440  95.2653
ZERR    2.00   0.000064   0.000070   0.000098   0.0011   0.0010   0.0010
LATT  1
SFAC C H O
UNIT 6.00 8.00 8.00
REM  CrysAlisPro recorded range (K): Min=149.6; max=150.3; aver:149.9
TEMP -123
SIZE 0.36 0.62 0.74
TREF
HKLF 4
END
;
_olex2_exptl_crystal_mounting_method Paratone-N
_olex2_submission_original_sample_id 'THEO AN II'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.360
_oxdiff_exptl_absorpt_empirical_full_min 0.772
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
O03 O 0.45613(7) 0.30754(7) 0.12485(5) 0.01670(7) Uani 1 1 d . . . . .
O04 O 0.83266(8) 0.17720(7) 0.05224(6) 0.02011(8) Uani 1 1 d D . . . .
H04 H 0.716(3) 0.018(2) -0.0215(17) 0.030 Uiso 1 1 d D U . . .
O01 O 0.73213(11) 0.75643(11) 0.51937(6) 0.02757(10) Uani 1 1 d D . . . .
H01 H 0.619(3) 0.857(3) 0.5770(19) 0.041 Uiso 1 1 d D U . . .
O02 O 0.58400(12) 0.93690(10) 0.31401(7) 0.02803(11) Uani 1 1 d . . . . .
C01 C 0.71638(9) 0.78549(8) 0.36505(6) 0.01480(7) Uani 1 1 d . . . . .
C03 C 0.69806(8) 0.34853(8) 0.13654(5) 0.01323(7) Uani 1 1 d . . . . .
C02 C 0.87358(9) 0.61042(9) 0.25320(6) 0.01630(7) Uani 1 1 d D . . . .
H02A H 1.0440(15) 0.565(2) 0.3359(13) 0.020 Uiso 1 1 d D U . . .
H02B H 0.936(2) 0.711(2) 0.1659(12) 0.020 Uiso 1 1 d D U . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 -1 -9 0.2612
6 1 1 0.1895
-1 7 1 0.3003
-7 -2 3 0.2297
5 -6 3 0.3016
-5 5 5 0.3164
7 1 -2 0.2076
4 -7 0 0.3308
7 0 -1 0.1955
1 -5 10 0.3025
-6 -1 -2 0.1723
-1 7 -5 0.3426
3 -5 9 0.2875
-7 0 5 0.2082
-1 -2 11 0.2913
1 -1 -11 0.2607
-3 -2 -7 0.2154
-6 0 7 0.2377
-6 -1 8 0.2344
6 0 -8 0.2431
1 -7 5 0.3884
1 -1 10 0.2807
-1 -2 -9 0.2312
-5 3 -7 0.3095
-6 -2 -1 0.1797
-2 -3 11 0.2939
6 -2 3 0.2151
0 7 1 0.2881
4 5 1 0.2629
-2 7 -5 0.3444
5 -4 7 0.2639
2 6 1 0.2781
-1 -1 -9 0.2442
7 0 -4 0.2132
-7 0 1 0.1836
-5 -2 -4 0.1977
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
C03 O04 H04 110.2(8) . . ?
C01 O01 H01 109.5(10) . . ?
O01 C01 C02 113.76(4) . . ?
O02 C01 O01 123.71(4) . . ?
O02 C01 C02 122.52(4) . . ?
O03 C03 O04 125.10(4) . . ?
O03 C03 C02 122.37(4) . . ?
O04 C03 C02 112.52(4) . . ?
C01 C02 C03 110.20(3) . . ?
C01 C02 H02A 110.9(6) . . ?
C01 C02 H02B 108.3(6) . . ?
C03 C02 H02A 107.9(6) . . ?
C03 C02 H02B 107.1(6) . . ?
H02A C02 H02B 112.4(9) . . ?
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
O03 C03 1.2259(5) . ?
O04 H04 0.945(11) . ?
O04 C03 1.3048(5) . ?
O01 H01 0.924(13) . ?
O01 C01 1.3090(6) . ?
O02 C01 1.2207(6) . ?
C01 C02 1.5044(6) . ?
C03 C02 1.5099(6) . ?
C02 H02A 1.095(2) . ?
C02 H02B 1.095(2) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O03 C03 C02 C01 7.70(6) . . . . ?
O04 C03 C02 C01 -172.41(4) . . . . ?
O01 C01 C02 C03 91.81(5) . . . . ?
O02 C01 C02 C03 -87.17(6) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
5.0333 -1.0139 -8.9455 -0.4291 -0.9013 0.0600
6.3977 1.2506 1.3854 0.7226 -0.6847 -0.0948
-1.2095 6.8869 1.0759 0.4427 0.2420 -0.8634
-6.6273 -2.3838 2.7413 -0.4584 0.8422 0.2839
4.9139 -5.8221 3.0451 0.2848 -0.5215 0.8043
-4.6216 4.5838 5.0454 0.3578 0.7532 -0.5520
7.0473 0.9768 -1.8770 0.4757 -0.8746 -0.0936
4.0324 -6.5065 0.3242 -0.0668 -0.5187 0.8523
7.1916 -0.1515 -1.1489 0.4770 -0.8770 0.0580
1.4971 -4.6260 10.0730 0.6918 0.1278 0.7107
-6.4485 -0.9682 -1.5729 -0.7246 0.6868 0.0567
-0.8792 7.4410 -4.8606 -0.0075 0.0054 -1.0000
2.9822 -4.6717 8.7604 0.6963 -0.0903 0.7120
-7.0983 -0.0546 4.6184 -0.1829 0.9831 0.0091
-0.6626 -1.5067 11.3925 0.8328 0.4533 0.3177
0.9535 -0.7400 -10.5010 -0.8783 -0.4776 -0.0223
-3.2123 -2.2343 -6.5684 -0.9751 0.1275 0.1814
-6.3678 0.3734 7.2250 0.1299 0.9915 -0.0091
-6.1497 -0.8813 7.9428 0.1280 0.9790 0.1588
6.3019 0.1294 -7.5381 -0.1296 -0.9899 -0.0583
0.8268 -7.4383 4.9225 0.0088 0.0029 1.0000
1.4443 -0.7947 10.3028 0.9567 0.1777 0.2306
-1.1358 -2.1371 -8.5429 -0.9702 -0.1807 0.1613
-4.8852 3.2354 -6.7385 -0.7702 0.3674 -0.5214
-6.2809 -1.7637 -1.0333 -0.7161 0.6784 0.1644
-2.4485 -2.6084 11.3996 0.6162 0.6509 0.4435
6.4565 -1.6821 3.2016 0.6936 -0.6568 0.2960
-0.0425 6.8556 0.7862 0.5107 0.0961 -0.8544
3.7757 4.9291 1.2502 0.7367 -0.3500 -0.5786
-1.6312 7.3659 -4.6498 -0.0555 0.0993 -0.9935
4.6023 -4.0369 6.8751 0.7067 -0.3373 0.6219
1.5884 6.2469 1.2482 0.6440 -0.0834 -0.7605
-1.2944 -0.8815 -9.4876 -0.9831 -0.1829 -0.0090
7.1223 -0.1744 -4.4686 0.1829 -0.9829 0.0217
-7.1482 -0.3485 1.4762 -0.4777 0.8785 0.0091
-4.9496 -2.2225 -3.8971 -0.8850 0.4212 0.1985
