##############################################################################
###      FullProf-generated CIF output file  (version: May 2011)           ###
###      Template of CIF submission form for structure report              ###
##############################################################################
 
# This file has been generated using FullProf.2k taking one example of 
# structure report provided by Acta Cryst. It is given as a 'template' with 
# filled structural items. Many other items are left unfilled and it is the  
# responsibility of the user to properly fill or suppress them. In principle 
# all question marks '?' should be replaced by the appropriate text or 
# numerical value depending on the kind of CIF item. 
# See the document: cif_core.dic (URL: http://www.iucr.org) for details. 
 
# Please notify any error or suggestion to: 
#           Juan Rodriguez-Carvajal (jrc@ill.eu)
# Improvements will be progressively added as needed.
 
#=============================================================================
 data_global
#=============================================================================
 
# PROCESSING SUMMARY (IUCr Office Use Only)
 
_journal_data_validation_number      ?
 
_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code             ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                  ?
_journal_name_full                   ?
_journal_year                        ?
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?
 
#=============================================================================
 
# 1. SUBMISSION DETAILS
 
_publ_contact_author_name            ?  # Name of author for correspondence
_publ_contact_author_address            # Address of author for correspondence
; ?
;
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?
 
_publ_contact_letter
; ?
;
 
_publ_requested_journal              ?
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO
 
 
# Definition of non standard CIF items (Reliability indices used in FULLPROF) 
 
loop_ 
_publ_manuscript_incl_extra_item
_publ_manuscript_incl_extra_info
_publ_manuscript_incl_extra_defn
#      Name                               Explanation                 Standard?
#     ------                              -----------                 ---------
 '_pd_proc_ls_prof_cR_factor'    'Prof. R-factor CORRECTED for background'   no
 '_pd_proc_ls_prof_cwR_factor'   'wProf.R-factor CORRECTED for background'   no
 '_pd_proc_ls_prof_cwR_expected' 'wProf.Expected CORRECTED for background'   no
 '_pd_proc_ls_prof_chi2'         'Chi-square for all considered points'      no
 '_pd_proc_ls_prof_echi2'        'Chi-2 for points with Bragg contribution'  no
#=============================================================================
 
# 3. TITLE AND AUTHOR LIST
 
_publ_section_title
; 'brucite Mg(OD)2 and Mg(OH)2 90K HFIR HB-2A data 1.11 Angstrom'
;
_publ_section_title_footnote
;
;
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary.
 
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
?                                   #<--'Last name, first name' 
; ?
;
; ?
;
 
#=============================================================================
 
# 4. TEXT
 
_publ_section_synopsis
;  ?
;
_publ_section_abstract
; ?
;          
_publ_section_comment
; ?
;
_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here. 
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_references
; ?
;
_publ_section_figure_captions
; ?
;
_publ_section_acknowledgements
; ?
;
 
#=============================================================================
 
#=============================================================================
# If more than one structure is reported, the remaining sections should be 
# completed per structure. For each data set, replace the '?' in the
# data_? line below by a unique identifier.
 
data_Mg(OD)2                       
 
#=============================================================================
 
# 5. CHEMICAL DATA
 
_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_iupac           ?
_chemical_formula_sum             ?
_chemical_formula_weight          ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and 
                                          # natural products
 
loop_
    _atom_type_symbol               
    _atom_type_scat_length_neutron      
    _atom_type_scat_source          
MG     0.53750 V.F._Sears_Neutron_News_3_26_(1992)
O      0.58030 V.F._Sears_Neutron_News_3_26_(1992)
D      0.66710 V.F._Sears_Neutron_News_3_26_(1992)
H     -0.37390 V.F._Sears_Neutron_News_3_26_(1992)
 
#=============================================================================
 
# 6. POWDER SPECIMEN AND CRYSTAL DATA
 
_symmetry_cell_setting                Trigonal
_symmetry_space_group_name_H-M       'P -3 m 1'
_symmetry_space_group_name_Hall      '-P 3 2"'
 
loop_
    _symmetry_equiv_pos_as_xyz   #<--must include 'x,y,z'
'x,y,z'
'-y,x-y,z'
'y,x,-z'
'-x+y,-x,z'
'-x,-x+y,-z'
'x-y,-y,-z'
'-x,-y,-z'
'y,-x+y,-z'
'-y,-x,z'
'x-y,x,-z'
'x,x-y,z'
'-x+y,y,z'
 
_cell_length_a                       3.14311(8)
_cell_length_b                       3.14311(8)
_cell_length_c                       4.72770(15)
_cell_angle_alpha                    90.00000
_cell_angle_beta                     90.00000
_cell_angle_gamma                    120.00000
_cell_volume                         40.4484(19)
_cell_formula_units_Z                1
_cell_measurement_temperature        90
_cell_special_details
; ?
;
# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.
 
_pd_spec_size_axial               ?       # perpendicular to 
                                          # equatorial plane
_pd_spec_size_equat               ?       # parallel to 
                                          # scattering vector
                                          # in transmission
_pd_spec_size_thick               ?       # parallel to 
                                          # scattering vector
                                          # in reflection
 
# The next five fields are character fields that describe the specimen.
 
_pd_spec_mounting                         # This field should be
                                          # used to give details of the 
                                          # container.
; ?
;
_pd_spec_mount_mode               ?       # options are 'reflection'
                                          # or 'transmission'
_pd_spec_shape                    ?       # options are 'cylinder' 
                                          # 'flat_sheet' or 'irregular'
_pd_char_particle_morphology      ?
_pd_char_colour                   ?       # use ICDD colour descriptions
 
# The following three fields describe the preparation of the specimen.
# The cooling rate is in K/min.  The pressure at which the sample was 
# prepared is in kPa.  The temperature of preparation is in K.        
 
_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              ?
 
# The next four fields are normally only needed for transmission experiments.
 
_exptl_absorpt_coefficient_mu        ?
_exptl_absorpt_correction_type       ?
_exptl_absorpt_process_details       ?
_exptl_absorpt_correction_T_min      ?
_exptl_absorpt_correction_T_max      ?
 
#=============================================================================
 
# 7. EXPERIMENTAL DATA
 
_exptl_special_details
; ?
;
 
# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.
 
_pd_instr_location		     'Oak Ridge National Laboratory'
;
_pd_calibration_special_details      'Si standard'   # description of the method used
                                          # to calibrate the instrument
;
 
_diffrn_ambient_temperature          '295K'
_diffrn_source                       'nuclear reactor' 
_diffrn_radiation_type               'Constant Wavelength Neutron Diffraction' 
_diffrn_radiation_wavelength         1.11760
_diffrn_source_type                  'ORNL HFIR HB-2A'
 
_diffrn_radiation_monochromator      'Ge'
_diffrn_measurement_device_type      'neutron powder diffractometer'
_diffrn_measurement_method           'Debye Scherrer'
_diffrn_detector_area_resol_mean     ?   # Not in version 2.0.1
_diffrn_detector                     '44 He-3 tube'
_diffrn_detector_type                '44 He-3 tube'
_pd_meas_scan_method                 'step'   # options are 'step', 'cont',
                                         # 'tof', 'fixed' or
                                         # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;
 
#  The following four items give details of the measured (not processed)
#  powder pattern.  Angles are in degrees.
 
_pd_meas_number_of_points         1808
_pd_meas_2theta_range_min         10.50000
_pd_meas_2theta_range_max         131.91901
_pd_meas_2theta_range_inc         0.067230
 
#=============================================================================
 
# 8. REFINEMENT DATA
 
_refine_special_details
; ?
;
 
# Use the next field to give any special details about the fitting of the
# powder pattern.
 
_pd_proc_ls_special_details
; ?
;
 
# The next three items are given as text.
 
_pd_proc_ls_profile_function      ?
_pd_proc_ls_background_function   ?
_pd_proc_ls_pref_orient_corr
; ?
;
 
#  The following profile R-factors are NOT CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These are the current CIF standard
 
_pd_proc_ls_prof_R_factor                6.3036
_pd_proc_ls_prof_wR_factor               8.0946
_pd_proc_ls_prof_wR_expected             3.2268
 
#  The following profile R-factors are CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These items are not in the current CIF standard, but are defined above
 
_pd_proc_ls_prof_cR_factor               16.6447
_pd_proc_ls_prof_cwR_factor              15.4177
_pd_proc_ls_prof_cwR_expected             6.1460
 
#  The following items are not in the CIF standard, but are defined above
 
_pd_proc_ls_prof_chi2                 6.2930
_pd_proc_ls_prof_echi2                6.6031
 
#  Items related to LS refinement
 
_refine_ls_R_I_factor                 7.3864
_refine_ls_number_reflns                    96
_refine_ls_number_parameters                37
_refine_ls_number_restraints                 0
 
# The following four items apply to angular dispersive measurements.
# 2theta minimum, maximum and increment (in degrees) are for the 
# intensities used in the refinement.
 
_pd_proc_2theta_range_min               10.5485
_pd_proc_2theta_range_max              131.9675
_pd_proc_2theta_range_inc              0.067230
_pd_proc_wavelength                    1.117600
 
_pd_block_diffractogram_id        ?  # The id used for the block containing
                                     # the powder pattern profile (section 11)
 
# Give appropriate details in the next two text fields.
 
_pd_proc_info_excluded_regions    ?
_pd_proc_info_data_reduction      ?
 
# The following items are used to identify the programs used.
 
_computing_data_collection           ?
_computing_structure_solution        ?
_computing_structure_refinement      FULLPROF
_computing_molecular_graphics        ?
_computing_publication_material      ?
 
#=============================================================================
 
# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
 
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    _atom_site_adp_type              # Not in version 2.0.1
    _atom_site_type_symbol
 Mg   0.00000     0.00000     0.00000     0.0077(9)   1.00000    Uiso MG  
 O   0.33333     0.66667     0.2200(5)   0.0027(5)   1.00006    Uiso O   
 D   0.356(6)    0.711(6)    0.4189(7)   0.0184(17)  0.32667    Uiso D   
 H   0.356(6)    0.711(6)    0.4189(7)   0.0184(17)  0.00668    Uiso H   
 
# Note: if the displacement parameters were refined anisotropically
# the U matrices should be given as for single-crystal studies.
 
#=============================================================================
 
# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 
 
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
Mg    O     2.0916(12)    1_445 ?
Mg    O     2.0916(12)    1_545 ?
Mg    O     2.0916(12)        . ?
Mg    O     2.0916(12)    7_555 ?
Mg    O     2.0916(12)    7_565 ?
Mg    O     2.0916(12)    7_665 ?
O     Mg    2.0916(12)        . ?
O     Mg    2.0916(12)    1_565 ?
O     Mg    2.0916(12)    1_665 ?
O     D     0.948(5)          . ?
O     D     0.948(5)      2_665 ?
O     D     0.948(5)      3_565 ?
O     D     0.948(5)      4_665 ?
O     D     0.948(5)      5_555 ?
O     D     0.948(5)      6_565 ?
O     D     2.405(12)     7_676 ?
O     D     2.405(12)     8_456 ?
O     D     2.405(17)     9_656 ?
O     D     2.405(12)    10_456 ?
O     D     2.405(12)    11_676 ?
O     D     2.405(17)    12_656 ?
O     H     0.948(5)          . ?
O     H     0.948(5)      2_665 ?
O     H     0.948(5)      3_565 ?
O     H     0.948(5)      4_665 ?
O     H     0.948(5)      5_555 ?
O     H     0.948(5)      6_565 ?
O     H     2.405(12)     7_676 ?
O     H     2.405(12)     8_456 ?
O     H     2.405(17)     9_656 ?
O     H     2.405(12)    10_456 ?
O     H     2.405(12)    11_676 ?
O     H     2.405(17)    12_656 ?
D     O     0.948(5)          . ?
D     O     2.405(12)     7_676 ?
D     D     0.209(19)     2_665 ?
D     D     0.21(3)       3_565 ?
D     D     0.211(19)     4_665 ?
D     D     0.00(3)       5_555 ?
D     D     0.21(3)       6_565 ?
D     D     2.09(2)       7_566 ?
D     D     2.09(3)       7_666 ?
D     D     1.75(2)       7_676 ?
D     D     1.92(2)       8_456 ?
D     D     2.08(3)       8_556 ?
D     D     1.92(2)       8_566 ?
D     D     2.08(2)       9_556 ?
D     D     1.92(3)       9_656 ?
D     D     1.92(2)       9_666 ?
D     D     1.92(2)      10_456 ?
D     D     2.08(3)      10_556 ?
D     D     1.92(2)      10_566 ?
D     D     2.09(2)      11_566 ?
D     D     2.09(3)      11_666 ?
D     D     1.75(2)      11_676 ?
D     D     2.08(2)      12_556 ?
D     D     1.92(3)      12_656 ?
D     D     1.92(2)      12_666 ?
D     H     0.209(19)     2_665 ?
D     H     0.21(3)       3_565 ?
D     H     0.211(19)     4_665 ?
D     H     0.00(3)       5_555 ?
D     H     0.21(3)       6_565 ?
D     H     2.09(2)       7_566 ?
D     H     2.09(3)       7_666 ?
D     H     1.75(2)       7_676 ?
D     H     1.92(2)       8_456 ?
D     H     2.08(3)       8_556 ?
D     H     1.92(2)       8_566 ?
D     H     2.08(2)       9_556 ?
D     H     1.92(3)       9_656 ?
D     H     1.92(2)       9_666 ?
D     H     1.92(2)      10_456 ?
D     H     2.08(3)      10_556 ?
D     H     1.92(2)      10_566 ?
D     H     2.09(2)      11_566 ?
D     H     2.09(3)      11_666 ?
D     H     1.75(2)      11_676 ?
D     H     2.08(2)      12_556 ?
D     H     1.92(3)      12_656 ?
D     H     1.92(2)      12_666 ?
H     O     0.948(5)          . ?
H     O     2.405(12)     7_676 ?
H     D     0.209(19)     2_665 ?
H     D     0.21(3)       3_565 ?
H     D     0.211(19)     4_665 ?
H     D     0.00(3)       5_555 ?
H     D     0.21(3)       6_565 ?
H     D     2.09(2)       7_566 ?
H     D     2.09(3)       7_666 ?
H     D     1.75(2)       7_676 ?
H     D     1.92(2)       8_456 ?
H     D     2.08(3)       8_556 ?
H     D     1.92(2)       8_566 ?
H     D     2.08(2)       9_556 ?
H     D     1.92(3)       9_656 ?
H     D     1.92(2)       9_666 ?
H     D     1.92(2)      10_456 ?
H     D     2.08(3)      10_556 ?
H     D     1.92(2)      10_566 ?
H     D     2.09(2)      11_566 ?
H     D     2.09(3)      11_666 ?
H     D     1.75(2)      11_676 ?
H     D     2.08(2)      12_556 ?
H     D     1.92(3)      12_656 ?
H     D     1.92(2)      12_666 ?
H     H     0.209(19)     2_665 ?
H     H     0.21(3)       3_565 ?
H     H     0.211(19)     4_665 ?
H     H     0.00(3)       5_555 ?
H     H     0.21(3)       6_565 ?
H     H     2.09(2)       7_566 ?
H     H     2.09(3)       7_666 ?
H     H     1.75(2)       7_676 ?
H     H     1.92(2)       8_456 ?
H     H     2.08(3)       8_556 ?
H     H     1.92(2)       8_566 ?
H     H     2.08(2)       9_556 ?
H     H     1.92(3)       9_656 ?
H     H     1.92(2)       9_666 ?
H     H     1.92(2)      10_456 ?
H     H     2.08(3)      10_556 ?
H     H     1.92(2)      10_566 ?
H     H     2.09(2)      11_566 ?
H     H     2.09(3)      11_666 ?
H     H     1.75(2)      11_676 ?
H     H     2.08(2)      12_556 ?
H     H     1.92(3)      12_656 ?
H     H     1.92(2)      12_666 ?

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
  O   Mg    O   97.42(5)       1_445    2_545 ?
  O   Mg    O   97.42(5)       1_445    3_555 ?
  O   Mg    O   82.58(10)      1_445    4_555 ?
  O   Mg    O   82.58(10)      1_445    5_565 ?
  O   Mg    O   180.00(10)     1_445    6_665 ?
  O   Mg    O   97.42(5)       2_545    3_555 ?
  O   Mg    O   82.58(10)      2_545    4_555 ?
  O   Mg    O   180.00(10)     2_545    5_565 ?
  O   Mg    O   82.58(10)      2_545    6_665 ?
  O   Mg    O   180.00(10)     3_555    4_555 ?
  O   Mg    O   82.58(10)      3_555    5_565 ?
  O   Mg    O   82.58(10)      3_555    6_665 ?
  O   Mg    O   97.42(5)       4_555    5_565 ?
  O   Mg    O   97.42(5)       4_555    6_665 ?
  O   Mg    O   97.42(5)       5_565    6_665 ?
 Mg    O   Mg   97.42(5)           .    2_565 ?
 Mg    O   Mg   97.42(5)           .    3_665 ?
 Mg    O    D   127.1(10)          .    4_555 ?
 Mg    O    D   116.1(9)           .    5_665 ?
 Mg    O    D   115.9(9)           .    6_565 ?
 Mg    O    D   115.9(9)           .    7_665 ?
 Mg    O    D   127.1(10)          .    8_555 ?
 Mg    O    D   116.1(9)           .    9_565 ?
 Mg    O    D   164.6(7)           .   10_676 ?
 Mg    O    D   92.7(6)            .   11_456 ?
 Mg    O    D   92.7(5)            .   12_656 ?
 Mg    O    D   92.7(6)            .   13_456 ?
 Mg    O    D   164.6(7)           .   14_676 ?
 Mg    O    D   92.7(5)            .   15_656 ?
 Mg    O    H   127.1(10)          .   16_555 ?
 Mg    O    H   116.1(9)           .   17_665 ?
 Mg    O    H   115.9(9)           .   18_565 ?
 Mg    O    H   115.9(9)           .   19_665 ?
 Mg    O    H   127.1(10)          .   20_555 ?
 Mg    O    H   116.1(9)           .   21_565 ?
 Mg    O    H   164.6(7)           .   22_676 ?
 Mg    O    H   92.7(6)            .   23_456 ?
 Mg    O    H   92.7(5)            .   24_656 ?
 Mg    O    H   92.7(6)            .   25_456 ?
 Mg    O    H   164.6(7)           .   26_676 ?
 Mg    O    H   92.7(5)            .   27_656 ?
 Mg    O   Mg   97.42(5)       2_565    3_665 ?
 Mg    O    D   116.1(12)      2_565    4_555 ?
 Mg    O    D   115.9(12)      2_565    5_665 ?
 Mg    O    D   127.1(13)      2_565    6_565 ?
 Mg    O    D   116.1(12)      2_565    7_665 ?
 Mg    O    D   115.9(12)      2_565    8_555 ?
 Mg    O    D   127.1(13)      2_565    9_565 ?
 Mg    O    D   92.7(5)        2_565   10_676 ?
 Mg    O    D   92.7(5)        2_565   11_456 ?
 Mg    O    D   164.6(10)      2_565   12_656 ?
 Mg    O    D   92.7(5)        2_565   13_456 ?
 Mg    O    D   92.7(5)        2_565   14_676 ?
 Mg    O    D   164.6(10)      2_565   15_656 ?
 Mg    O    H   116.1(12)      2_565   16_555 ?
 Mg    O    H   115.9(12)      2_565   17_665 ?
 Mg    O    H   127.1(13)      2_565   18_565 ?
 Mg    O    H   116.1(12)      2_565   19_665 ?
 Mg    O    H   115.9(12)      2_565   20_555 ?
 Mg    O    H   127.1(13)      2_565   21_565 ?
 Mg    O    H   92.7(5)        2_565   22_676 ?
 Mg    O    H   92.7(5)        2_565   23_456 ?
 Mg    O    H   164.6(10)      2_565   24_656 ?
 Mg    O    H   92.7(5)        2_565   25_456 ?
 Mg    O    H   92.7(5)        2_565   26_676 ?
 Mg    O    H   164.6(10)      2_565   27_656 ?
 Mg    O    D   115.9(9)       3_665    4_555 ?
 Mg    O    D   127.1(10)      3_665    5_665 ?
 Mg    O    D   116.1(9)       3_665    6_565 ?
 Mg    O    D   127.1(10)      3_665    7_665 ?
 Mg    O    D   116.1(9)       3_665    8_555 ?
 Mg    O    D   115.9(9)       3_665    9_565 ?
 Mg    O    D   92.7(6)        3_665   10_676 ?
 Mg    O    D   164.6(7)       3_665   11_456 ?
 Mg    O    D   92.7(5)        3_665   12_656 ?
 Mg    O    D   164.6(7)       3_665   13_456 ?
 Mg    O    D   92.7(6)        3_665   14_676 ?
 Mg    O    D   92.7(5)        3_665   15_656 ?
 Mg    O    H   115.9(9)       3_665   16_555 ?
 Mg    O    H   127.1(10)      3_665   17_665 ?
 Mg    O    H   116.1(9)       3_665   18_565 ?
 Mg    O    H   127.1(10)      3_665   19_665 ?
 Mg    O    H   116.1(9)       3_665   20_555 ?
 Mg    O    H   115.9(9)       3_665   21_565 ?
 Mg    O    H   92.7(6)        3_665   22_676 ?
 Mg    O    H   164.6(7)       3_665   23_456 ?
 Mg    O    H   92.7(5)        3_665   24_656 ?
 Mg    O    H   164.6(7)       3_665   25_456 ?
 Mg    O    H   92.7(6)        3_665   26_676 ?
 Mg    O    H   92.7(5)        3_665   27_656 ?
  D    O    D   12.7(5)        4_555    5_665 ?
  D    O    D   12.7(6)        4_555    6_565 ?
  D    O    D   12.8(5)        4_555    7_665 ?
  D    O    D   0.2(4)         4_555    8_555 ?
  D    O    D   12.6(6)        4_555    9_565 ?
  D    O    D   37.5(10)       4_555   10_676 ?
  D    O    D   48.8(11)       4_555   11_456 ?
  D    O    D   48.7(15)       4_555   12_656 ?
  D    O    D   48.8(11)       4_555   13_456 ?
  D    O    D   37.5(10)       4_555   14_676 ?
  D    O    D   48.7(15)       4_555   15_656 ?
  D    O    H   12.7(5)        4_555   17_665 ?
  D    O    H   12.7(6)        4_555   18_565 ?
  D    O    H   12.8(5)        4_555   19_665 ?
  D    O    H   0.2(4)         4_555   20_555 ?
  D    O    H   12.6(6)        4_555   21_565 ?
  D    O    H   37.5(10)       4_555   22_676 ?
  D    O    H   48.8(11)       4_555   23_456 ?
  D    O    H   48.7(15)       4_555   24_656 ?
  D    O    H   48.8(11)       4_555   25_456 ?
  D    O    H   37.5(10)       4_555   26_676 ?
  D    O    H   48.7(15)       4_555   27_656 ?
  D    O    D   12.7(6)        5_665    6_565 ?
  D    O    D   0.2(4)         5_665    7_665 ?
  D    O    D   12.6(5)        5_665    8_555 ?
  D    O    D   12.8(6)        5_665    9_565 ?
  D    O    D   48.7(11)       5_665   10_676 ?
  D    O    D   37.5(10)       5_665   11_456 ?
  D    O    D   48.8(15)       5_665   12_656 ?
  D    O    D   37.5(10)       5_665   13_456 ?
  D    O    D   48.7(11)       5_665   14_676 ?
  D    O    D   48.8(15)       5_665   15_656 ?
  D    O    H   12.7(5)        5_665   16_555 ?
  D    O    H   12.7(6)        5_665   18_565 ?
  D    O    H   0.2(4)         5_665   19_665 ?
  D    O    H   12.6(5)        5_665   20_555 ?
  D    O    H   12.8(6)        5_665   21_565 ?
  D    O    H   48.7(11)       5_665   22_676 ?
  D    O    H   37.5(10)       5_665   23_456 ?
  D    O    H   48.8(15)       5_665   24_656 ?
  D    O    H   37.5(10)       5_665   25_456 ?
  D    O    H   48.7(11)       5_665   26_676 ?
  D    O    H   48.8(15)       5_665   27_656 ?
  D    O    D   12.6(6)        6_565    7_665 ?
  D    O    D   12.8(6)        6_565    8_555 ?
  D    O    D   0.2(4)         6_565    9_565 ?
  D    O    D   48.8(11)       6_565   10_676 ?
  D    O    D   48.7(11)       6_565   11_456 ?
  D    O    D   37.5(14)       6_565   12_656 ?
  D    O    D   48.7(11)       6_565   13_456 ?
  D    O    D   48.8(11)       6_565   14_676 ?
  D    O    D   37.5(14)       6_565   15_656 ?
  D    O    H   12.7(6)        6_565   16_555 ?
  D    O    H   12.7(6)        6_565   17_665 ?
  D    O    H   12.6(6)        6_565   19_665 ?
  D    O    H   12.8(6)        6_565   20_555 ?
  D    O    H   0.2(4)         6_565   21_565 ?
  D    O    H   48.8(11)       6_565   22_676 ?
  D    O    H   48.7(11)       6_565   23_456 ?
  D    O    H   37.5(14)       6_565   24_656 ?
  D    O    H   48.7(11)       6_565   25_456 ?
  D    O    H   48.8(11)       6_565   26_676 ?
  D    O    H   37.5(14)       6_565   27_656 ?
  D    O    D   12.7(5)        7_665    8_555 ?
  D    O    D   12.7(6)        7_665    9_565 ?
  D    O    D   48.8(11)       7_665   10_676 ?
  D    O    D   37.5(10)       7_665   11_456 ?
  D    O    D   48.7(15)       7_665   12_656 ?
  D    O    D   37.5(10)       7_665   13_456 ?
  D    O    D   48.8(11)       7_665   14_676 ?
  D    O    D   48.7(15)       7_665   15_656 ?
  D    O    H   12.8(5)        7_665   16_555 ?
  D    O    H   0.2(4)         7_665   17_665 ?
  D    O    H   12.6(6)        7_665   18_565 ?
  D    O    H   12.7(5)        7_665   20_555 ?
  D    O    H   12.7(6)        7_665   21_565 ?
  D    O    H   48.8(11)       7_665   22_676 ?
  D    O    H   37.5(10)       7_665   23_456 ?
  D    O    H   48.7(15)       7_665   24_656 ?
  D    O    H   37.5(10)       7_665   25_456 ?
  D    O    H   48.8(11)       7_665   26_676 ?
  D    O    H   48.7(15)       7_665   27_656 ?
  D    O    D   12.7(6)        8_555    9_565 ?
  D    O    D   37.5(10)       8_555   10_676 ?
  D    O    D   48.7(11)       8_555   11_456 ?
  D    O    D   48.8(15)       8_555   12_656 ?
  D    O    D   48.7(11)       8_555   13_456 ?
  D    O    D   37.5(10)       8_555   14_676 ?
  D    O    D   48.8(15)       8_555   15_656 ?
  D    O    H   0.2(4)         8_555   16_555 ?
  D    O    H   12.6(5)        8_555   17_665 ?
  D    O    H   12.8(6)        8_555   18_565 ?
  D    O    H   12.7(5)        8_555   19_665 ?
  D    O    H   12.7(6)        8_555   21_565 ?
  D    O    H   37.5(10)       8_555   22_676 ?
  D    O    H   48.7(11)       8_555   23_456 ?
  D    O    H   48.8(15)       8_555   24_656 ?
  D    O    H   48.7(11)       8_555   25_456 ?
  D    O    H   37.5(10)       8_555   26_676 ?
  D    O    H   48.8(15)       8_555   27_656 ?
  D    O    D   48.7(11)       9_565   10_676 ?
  D    O    D   48.8(11)       9_565   11_456 ?
  D    O    D   37.5(14)       9_565   12_656 ?
  D    O    D   48.8(11)       9_565   13_456 ?
  D    O    D   48.7(11)       9_565   14_676 ?
  D    O    D   37.5(14)       9_565   15_656 ?
  D    O    H   12.6(6)        9_565   16_555 ?
  D    O    H   12.8(6)        9_565   17_665 ?
  D    O    H   0.2(4)         9_565   18_565 ?
  D    O    H   12.7(6)        9_565   19_665 ?
  D    O    H   12.7(6)        9_565   20_555 ?
  D    O    H   48.7(11)       9_565   22_676 ?
  D    O    H   48.8(11)       9_565   23_456 ?
  D    O    H   37.5(14)       9_565   24_656 ?
  D    O    H   48.8(11)       9_565   25_456 ?
  D    O    H   48.7(11)       9_565   26_676 ?
  D    O    H   37.5(14)       9_565   27_656 ?
  D    O    D   75.2(7)       10_676   11_456 ?
  D    O    D   75.2(10)      10_676   12_656 ?
  D    O    D   75.1(7)       10_676   13_456 ?
  D    O    D   0.1(4)        10_676   14_676 ?
  D    O    D   75.2(10)      10_676   15_656 ?
  D    O    H   37.5(10)      10_676   16_555 ?
  D    O    H   48.7(11)      10_676   17_665 ?
  D    O    H   48.8(11)      10_676   18_565 ?
  D    O    H   48.8(11)      10_676   19_665 ?
  D    O    H   37.5(10)      10_676   20_555 ?
  D    O    H   48.7(11)      10_676   21_565 ?
  D    O    H   75.2(7)       10_676   23_456 ?
  D    O    H   75.2(10)      10_676   24_656 ?
  D    O    H   75.1(7)       10_676   25_456 ?
  D    O    H   0.1(4)        10_676   26_676 ?
  D    O    H   75.2(10)      10_676   27_656 ?
  D    O    D   75.2(10)      11_456   12_656 ?
  D    O    D   0.1(4)        11_456   13_456 ?
  D    O    D   75.2(7)       11_456   14_676 ?
  D    O    D   75.1(10)      11_456   15_656 ?
  D    O    H   48.8(11)      11_456   16_555 ?
  D    O    H   37.5(10)      11_456   17_665 ?
  D    O    H   48.7(11)      11_456   18_565 ?
  D    O    H   37.5(10)      11_456   19_665 ?
  D    O    H   48.7(11)      11_456   20_555 ?
  D    O    H   48.8(11)      11_456   21_565 ?
  D    O    H   75.2(7)       11_456   22_676 ?
  D    O    H   75.2(10)      11_456   24_656 ?
  D    O    H   0.1(4)        11_456   25_456 ?
  D    O    H   75.2(7)       11_456   26_676 ?
  D    O    H   75.1(10)      11_456   27_656 ?
  D    O    D   75.2(10)      12_656   13_456 ?
  D    O    D   75.1(10)      12_656   14_676 ?
  D    O    D   0.1(6)        12_656   15_656 ?
  D    O    H   48.7(15)      12_656   16_555 ?
  D    O    H   48.8(15)      12_656   17_665 ?
  D    O    H   37.5(14)      12_656   18_565 ?
  D    O    H   48.7(15)      12_656   19_665 ?
  D    O    H   48.8(15)      12_656   20_555 ?
  D    O    H   37.5(14)      12_656   21_565 ?
  D    O    H   75.2(10)      12_656   22_676 ?
  D    O    H   75.2(10)      12_656   23_456 ?
  D    O    H   75.2(10)      12_656   25_456 ?
  D    O    H   75.1(10)      12_656   26_676 ?
  D    O    H   0.1(6)        12_656   27_656 ?
  D    O    D   75.2(7)       13_456   14_676 ?
  D    O    D   75.2(10)      13_456   15_656 ?
  D    O    H   48.8(11)      13_456   16_555 ?
  D    O    H   37.5(10)      13_456   17_665 ?
  D    O    H   48.7(11)      13_456   18_565 ?
  D    O    H   37.5(10)      13_456   19_665 ?
  D    O    H   48.7(11)      13_456   20_555 ?
  D    O    H   48.8(11)      13_456   21_565 ?
  D    O    H   75.1(7)       13_456   22_676 ?
  D    O    H   0.1(4)        13_456   23_456 ?
  D    O    H   75.2(10)      13_456   24_656 ?
  D    O    H   75.2(7)       13_456   26_676 ?
  D    O    H   75.2(10)      13_456   27_656 ?
  D    O    D   75.2(10)      14_676   15_656 ?
  D    O    H   37.5(10)      14_676   16_555 ?
  D    O    H   48.7(11)      14_676   17_665 ?
  D    O    H   48.8(11)      14_676   18_565 ?
  D    O    H   48.8(11)      14_676   19_665 ?
  D    O    H   37.5(10)      14_676   20_555 ?
  D    O    H   48.7(11)      14_676   21_565 ?
  D    O    H   0.1(4)        14_676   22_676 ?
  D    O    H   75.2(7)       14_676   23_456 ?
  D    O    H   75.1(10)      14_676   24_656 ?
  D    O    H   75.2(7)       14_676   25_456 ?
  D    O    H   75.2(10)      14_676   27_656 ?
  D    O    H   48.7(15)      15_656   16_555 ?
  D    O    H   48.8(15)      15_656   17_665 ?
  D    O    H   37.5(14)      15_656   18_565 ?
  D    O    H   48.7(15)      15_656   19_665 ?
  D    O    H   48.8(15)      15_656   20_555 ?
  D    O    H   37.5(14)      15_656   21_565 ?
  D    O    H   75.2(10)      15_656   22_676 ?
  D    O    H   75.1(10)      15_656   23_456 ?
  D    O    H   0.1(6)        15_656   24_656 ?
  D    O    H   75.2(10)      15_656   25_456 ?
  D    O    H   75.2(10)      15_656   26_676 ?
  H    O    H   12.7(5)       16_555   17_665 ?
  H    O    H   12.7(6)       16_555   18_565 ?
  H    O    H   12.8(5)       16_555   19_665 ?
  H    O    H   0.2(4)        16_555   20_555 ?
  H    O    H   12.6(6)       16_555   21_565 ?
  H    O    H   37.5(10)      16_555   22_676 ?
  H    O    H   48.8(11)      16_555   23_456 ?
  H    O    H   48.7(15)      16_555   24_656 ?
  H    O    H   48.8(11)      16_555   25_456 ?
  H    O    H   37.5(10)      16_555   26_676 ?
  H    O    H   48.7(15)      16_555   27_656 ?
  H    O    H   12.7(6)       17_665   18_565 ?
  H    O    H   0.2(4)        17_665   19_665 ?
  H    O    H   12.6(5)       17_665   20_555 ?
  H    O    H   12.8(6)       17_665   21_565 ?
  H    O    H   48.7(11)      17_665   22_676 ?
  H    O    H   37.5(10)      17_665   23_456 ?
  H    O    H   48.8(15)      17_665   24_656 ?
  H    O    H   37.5(10)      17_665   25_456 ?
  H    O    H   48.7(11)      17_665   26_676 ?
  H    O    H   48.8(15)      17_665   27_656 ?
  H    O    H   12.6(6)       18_565   19_665 ?
  H    O    H   12.8(6)       18_565   20_555 ?
  H    O    H   0.2(4)        18_565   21_565 ?
  H    O    H   48.8(11)      18_565   22_676 ?
  H    O    H   48.7(11)      18_565   23_456 ?
  H    O    H   37.5(14)      18_565   24_656 ?
  H    O    H   48.7(11)      18_565   25_456 ?
  H    O    H   48.8(11)      18_565   26_676 ?
  H    O    H   37.5(14)      18_565   27_656 ?
  H    O    H   12.7(5)       19_665   20_555 ?
  H    O    H   12.7(6)       19_665   21_565 ?
  H    O    H   48.8(11)      19_665   22_676 ?
  H    O    H   37.5(10)      19_665   23_456 ?
  H    O    H   48.7(15)      19_665   24_656 ?
  H    O    H   37.5(10)      19_665   25_456 ?
  H    O    H   48.8(11)      19_665   26_676 ?
  H    O    H   48.7(15)      19_665   27_656 ?
  H    O    H   12.7(6)       20_555   21_565 ?
  H    O    H   37.5(10)      20_555   22_676 ?
  H    O    H   48.7(11)      20_555   23_456 ?
  H    O    H   48.8(15)      20_555   24_656 ?
  H    O    H   48.7(11)      20_555   25_456 ?
  H    O    H   37.5(10)      20_555   26_676 ?
  H    O    H   48.8(15)      20_555   27_656 ?
  H    O    H   48.7(11)      21_565   22_676 ?
  H    O    H   48.8(11)      21_565   23_456 ?
  H    O    H   37.5(14)      21_565   24_656 ?
  H    O    H   48.8(11)      21_565   25_456 ?
  H    O    H   48.7(11)      21_565   26_676 ?
  H    O    H   37.5(14)      21_565   27_656 ?
  H    O    H   75.2(7)       22_676   23_456 ?
  H    O    H   75.2(10)      22_676   24_656 ?
  H    O    H   75.1(7)       22_676   25_456 ?
  H    O    H   0.1(4)        22_676   26_676 ?
  H    O    H   75.2(10)      22_676   27_656 ?
  H    O    H   75.2(10)      23_456   24_656 ?
  H    O    H   0.1(4)        23_456   25_456 ?
  H    O    H   75.2(7)       23_456   26_676 ?
  H    O    H   75.1(10)      23_456   27_656 ?
  H    O    H   75.2(10)      24_656   25_456 ?
  H    O    H   75.1(10)      24_656   26_676 ?
  H    O    H   0.1(6)        24_656   27_656 ?
  H    O    H   75.2(7)       25_456   26_676 ?
  H    O    H   75.2(10)      25_456   27_656 ?
  H    O    H   75.2(10)      26_676   27_656 ?
  O    D    O   142.5(5)           .    2_676 ?
  O    D    D   84(5)              .    3_665 ?
  O    D    D   84(8)              .    4_565 ?
  O    D    D   84(5)              .    5_665 ?
  O    D    D   90(550)            .    6_555 ?
  O    D    D   84(8)              .    7_565 ?
  O    D    D   107.0(11)          .    8_566 ?
  O    D    D   107.2(15)          .    9_666 ?
  O    D    D   123.3(12)          .   10_676 ?
  O    D    D   109.3(11)          .   11_456 ?
  O    D    D   107.9(15)          .   12_556 ?
  O    D    D   120.9(12)          .   13_566 ?
  O    D    D   107.8(11)          .   14_556 ?
  O    D    D   109.5(16)          .   15_656 ?
  O    D    D   120.8(12)          .   16_666 ?
  O    D    D   109.3(11)          .   17_456 ?
  O    D    D   107.9(15)          .   18_556 ?
  O    D    D   120.9(12)          .   19_566 ?
  O    D    D   107.0(11)          .   20_566 ?
  O    D    D   107.2(15)          .   21_666 ?
  O    D    D   123.3(12)          .   22_676 ?
  O    D    D   107.7(11)          .   23_556 ?
  O    D    D   109.5(16)          .   24_656 ?
  O    D    D   120.9(12)          .   25_666 ?
  O    D    H   84(5)              .   26_665 ?
  O    D    H   84(8)              .   27_565 ?
  O    D    H   84(5)              .   28_665 ?
  O    D    H   90(550)            .   29_555 ?
  O    D    H   84(8)              .   30_565 ?
  O    D    H   107.0(11)          .   31_566 ?
  O    D    H   107.2(15)          .   32_666 ?
  O    D    H   123.3(12)          .   33_676 ?
  O    D    H   109.3(11)          .   34_456 ?
  O    D    H   107.9(15)          .   35_556 ?
  O    D    H   120.9(12)          .   36_566 ?
  O    D    H   107.8(11)          .   37_556 ?
  O    D    H   109.5(16)          .   38_656 ?
  O    D    H   120.8(12)          .   39_666 ?
  O    D    H   109.3(11)          .   40_456 ?
  O    D    H   107.9(15)          .   41_556 ?
  O    D    H   120.9(12)          .   42_566 ?
  O    D    H   107.0(11)          .   43_566 ?
  O    D    H   107.2(15)          .   44_666 ?
  O    D    H   123.3(12)          .   45_676 ?
  O    D    H   107.7(11)          .   46_556 ?
  O    D    H   109.5(16)          .   47_656 ?
  O    D    H   120.9(12)          .   48_666 ?
  O    D    D   127(6)         2_676    3_665 ?
  O    D    D   128(9)         2_676    4_565 ?
  O    D    D   128(6)         2_676    5_665 ?
  O    D    D   90(585)        2_676    6_555 ?
  O    D    D   128(9)         2_676    7_565 ?
  O    D    D   97.2(8)        2_676    8_566 ?
  O    D    D   97.3(12)       2_676    9_666 ?
  O    D    D   19.2(7)        2_676   10_676 ?
  O    D    D   94.1(8)        2_676   11_456 ?
  O    D    D   93.8(12)       2_676   12_556 ?
  O    D    D   21.8(7)        2_676   13_566 ?
  O    D    D   93.7(8)        2_676   14_556 ?
  O    D    D   94.1(12)       2_676   15_656 ?
  O    D    D   21.8(7)        2_676   16_666 ?
  O    D    D   94.0(8)        2_676   17_456 ?
  O    D    D   93.8(12)       2_676   18_556 ?
  O    D    D   21.8(7)        2_676   19_566 ?
  O    D    D   97.2(8)        2_676   20_566 ?
  O    D    D   97.3(12)       2_676   21_666 ?
  O    D    D   19.2(7)        2_676   22_676 ?
  O    D    D   93.8(8)        2_676   23_556 ?
  O    D    D   94.2(12)       2_676   24_656 ?
  O    D    D   21.8(7)        2_676   25_666 ?
  O    D    H   127(6)         2_676   26_665 ?
  O    D    H   128(9)         2_676   27_565 ?
  O    D    H   128(6)         2_676   28_665 ?
  O    D    H   90(585)        2_676   29_555 ?
  O    D    H   128(9)         2_676   30_565 ?
  O    D    H   97.2(8)        2_676   31_566 ?
  O    D    H   97.3(12)       2_676   32_666 ?
  O    D    H   19.2(7)        2_676   33_676 ?
  O    D    H   94.1(8)        2_676   34_456 ?
  O    D    H   93.8(12)       2_676   35_556 ?
  O    D    H   21.8(7)        2_676   36_566 ?
  O    D    H   93.7(8)        2_676   37_556 ?
  O    D    H   94.1(12)       2_676   38_656 ?
  O    D    H   21.8(7)        2_676   39_666 ?
  O    D    H   94.0(8)        2_676   40_456 ?
  O    D    H   93.8(12)       2_676   41_556 ?
  O    D    H   21.8(7)        2_676   42_566 ?
  O    D    H   97.2(8)        2_676   43_566 ?
  O    D    H   97.3(12)       2_676   44_666 ?
  O    D    H   19.2(7)        2_676   45_676 ?
  O    D    H   93.8(8)        2_676   46_556 ?
  O    D    H   94.2(12)       2_676   47_656 ?
  O    D    H   21.8(7)        2_676   48_666 ?
  D    D    D   60(13)         3_665    4_565 ?
  D    D    D   1(7)           3_665    5_665 ?
  D    D    D   59(642)        3_665    6_555 ?
  D    D    D   61(13)         3_665    7_565 ?
  D    D    D   31(7)          3_665    8_566 ?
  D    D    D   85(10)         3_665    9_666 ?
  D    D    D   141(8)         3_665   10_676 ?
  D    D    D   34(7)          3_665   11_456 ?
  D    D    D   91(10)         3_665   12_556 ?
  D    D    D   144(8)         3_665   13_566 ?
  D    D    D   36(8)          3_665   14_556 ?
  D    D    D   88(10)         3_665   15_656 ?
  D    D    D   139(8)         3_665   16_666 ?
  D    D    D   34(7)          3_665   17_456 ?
  D    D    D   91(10)         3_665   18_556 ?
  D    D    D   144(8)         3_665   19_566 ?
  D    D    D   31(7)          3_665   20_566 ?
  D    D    D   85(10)         3_665   21_666 ?
  D    D    D   141(8)         3_665   22_676 ?
  D    D    D   36(8)          3_665   23_556 ?
  D    D    D   87(10)         3_665   24_656 ?
  D    D    D   139(8)         3_665   25_666 ?
  D    D    H   60(13)         3_665   27_565 ?
  D    D    H   1(7)           3_665   28_665 ?
  D    D    H   59(642)        3_665   29_555 ?
  D    D    H   61(13)         3_665   30_565 ?
  D    D    H   31(7)          3_665   31_566 ?
  D    D    H   85(10)         3_665   32_666 ?
  D    D    H   141(8)         3_665   33_676 ?
  D    D    H   34(7)          3_665   34_456 ?
  D    D    H   91(10)         3_665   35_556 ?
  D    D    H   144(8)         3_665   36_566 ?
  D    D    H   36(8)          3_665   37_556 ?
  D    D    H   88(10)         3_665   38_656 ?
  D    D    H   139(8)         3_665   39_666 ?
  D    D    H   34(7)          3_665   40_456 ?
  D    D    H   91(10)         3_665   41_556 ?
  D    D    H   144(8)         3_665   42_566 ?
  D    D    H   31(7)          3_665   43_566 ?
  D    D    H   85(10)         3_665   44_666 ?
  D    D    H   141(8)         3_665   45_676 ?
  D    D    H   36(8)          3_665   46_556 ?
  D    D    H   87(10)         3_665   47_656 ?
  D    D    H   139(8)         3_665   48_666 ?
  D    D    D   59(13)         4_565    5_665 ?
  D    D    D   119(772)       4_565    6_555 ?
  D    D    D   1(12)          4_565    7_565 ?
  D    D    D   84(10)         4_565    8_566 ?
  D    D    D   32(11)         4_565    9_666 ?
  D    D    D   142(11)        4_565   10_676 ?
  D    D    D   86(10)         4_565   11_456 ?
  D    D    D   37(11)         4_565   12_556 ?
  D    D    D   141(10)        4_565   13_566 ?
  D    D    D   89(10)         4_565   14_556 ?
  D    D    D   36(11)         4_565   15_656 ?
  D    D    D   146(11)        4_565   16_666 ?
  D    D    D   86(10)         4_565   17_456 ?
  D    D    D   37(11)         4_565   18_556 ?
  D    D    D   141(10)        4_565   19_566 ?
  D    D    D   84(10)         4_565   20_566 ?
  D    D    D   32(11)         4_565   21_666 ?
  D    D    D   142(10)        4_565   22_676 ?
  D    D    D   89(10)         4_565   23_556 ?
  D    D    D   35(11)         4_565   24_656 ?
  D    D    D   146(11)        4_565   25_666 ?
  D    D    H   60(13)         4_565   26_665 ?
  D    D    H   59(13)         4_565   28_665 ?
  D    D    H   119(772)       4_565   29_555 ?
  D    D    H   1(12)          4_565   30_565 ?
  D    D    H   84(10)         4_565   31_566 ?
  D    D    H   32(11)         4_565   32_666 ?
  D    D    H   142(11)        4_565   33_676 ?
  D    D    H   86(10)         4_565   34_456 ?
  D    D    H   37(11)         4_565   35_556 ?
  D    D    H   141(10)        4_565   36_566 ?
  D    D    H   89(10)         4_565   37_556 ?
  D    D    H   36(11)         4_565   38_656 ?
  D    D    H   146(11)        4_565   39_666 ?
  D    D    H   86(10)         4_565   40_456 ?
  D    D    H   37(11)         4_565   41_556 ?
  D    D    H   141(10)        4_565   42_566 ?
  D    D    H   84(10)         4_565   43_566 ?
  D    D    H   32(11)         4_565   44_666 ?
  D    D    H   142(10)        4_565   45_676 ?
  D    D    H   89(10)         4_565   46_556 ?
  D    D    H   35(11)         4_565   47_656 ?
  D    D    H   146(11)        4_565   48_666 ?
  D    D    D   60(642)        5_665    6_555 ?
  D    D    D   60(13)         5_665    7_565 ?
  D    D    D   32(7)          5_665    8_566 ?
  D    D    D   84(10)         5_665    9_666 ?
  D    D    D   141(8)         5_665   10_676 ?
  D    D    D   35(7)          5_665   11_456 ?
  D    D    D   90(10)         5_665   12_556 ?
  D    D    D   145(8)         5_665   13_566 ?
  D    D    D   36(8)          5_665   14_556 ?
  D    D    D   87(10)         5_665   15_656 ?
  D    D    D   140(8)         5_665   16_666 ?
  D    D    D   35(7)          5_665   17_456 ?
  D    D    D   90(10)         5_665   18_556 ?
  D    D    D   145(8)         5_665   19_566 ?
  D    D    D   32(7)          5_665   20_566 ?
  D    D    D   84(10)         5_665   21_666 ?
  D    D    D   141(8)         5_665   22_676 ?
  D    D    D   36(8)          5_665   23_556 ?
  D    D    D   87(10)         5_665   24_656 ?
  D    D    D   140(8)         5_665   25_666 ?
  D    D    H   1(7)           5_665   26_665 ?
  D    D    H   59(13)         5_665   27_565 ?
  D    D    H   60(642)        5_665   29_555 ?
  D    D    H   60(13)         5_665   30_565 ?
  D    D    H   32(7)          5_665   31_566 ?
  D    D    H   84(10)         5_665   32_666 ?
  D    D    H   141(8)         5_665   33_676 ?
  D    D    H   35(7)          5_665   34_456 ?
  D    D    H   90(10)         5_665   35_556 ?
  D    D    H   145(8)         5_665   36_566 ?
  D    D    H   36(8)          5_665   37_556 ?
  D    D    H   87(10)         5_665   38_656 ?
  D    D    H   140(8)         5_665   39_666 ?
  D    D    H   35(7)          5_665   40_456 ?
  D    D    H   90(10)         5_665   41_556 ?
  D    D    H   145(8)         5_665   42_566 ?
  D    D    H   32(7)          5_665   43_566 ?
  D    D    H   84(10)         5_665   44_666 ?
  D    D    H   141(8)         5_665   45_676 ?
  D    D    H   36(8)          5_665   46_556 ?
  D    D    H   87(10)         5_665   47_656 ?
  D    D    H   140(8)         5_665   48_666 ?
  D    D    D   120(773)       6_555    7_565 ?
  D    D    D   41(657)        6_555    8_566 ?
  D    D    D   139(776)       6_555    9_666 ?
  D    D    D   90(663)        6_555   10_676 ?
  D    D    D   40(660)        6_555   11_456 ?
  D    D    D   144(777)       6_555   12_556 ?
  D    D    D   93(660)        6_555   13_566 ?
  D    D    D   36(670)        6_555   14_556 ?
  D    D    D   140(771)       6_555   15_656 ?
  D    D    D   87(675)        6_555   16_666 ?
  D    D    D   40(660)        6_555   17_456 ?
  D    D    D   144(777)       6_555   18_556 ?
  D    D    D   93(660)        6_555   19_566 ?
  D    D    D   41(657)        6_555   20_566 ?
  D    D    D   139(776)       6_555   21_666 ?
  D    D    D   90(663)        6_555   22_676 ?
  D    D    D   36(670)        6_555   23_556 ?
  D    D    D   140(771)       6_555   24_656 ?
  D    D    D   87(675)        6_555   25_666 ?
  D    D    H   59(642)        6_555   26_665 ?
  D    D    H   119(772)       6_555   27_565 ?
  D    D    H   60(642)        6_555   28_665 ?
  D    D    H   120(773)       6_555   30_565 ?
  D    D    H   41(657)        6_555   31_566 ?
  D    D    H   139(776)       6_555   32_666 ?
  D    D    H   90(663)        6_555   33_676 ?
  D    D    H   40(660)        6_555   34_456 ?
  D    D    H   144(777)       6_555   35_556 ?
  D    D    H   93(660)        6_555   36_566 ?
  D    D    H   36(670)        6_555   37_556 ?
  D    D    H   140(771)       6_555   38_656 ?
  D    D    H   87(675)        6_555   39_666 ?
  D    D    H   40(660)        6_555   40_456 ?
  D    D    H   144(777)       6_555   41_556 ?
  D    D    H   93(660)        6_555   42_566 ?
  D    D    H   41(657)        6_555   43_566 ?
  D    D    H   139(776)       6_555   44_666 ?
  D    D    H   90(663)        6_555   45_676 ?
  D    D    H   36(670)        6_555   46_556 ?
  D    D    H   140(771)       6_555   47_656 ?
  D    D    H   87(675)        6_555   48_666 ?
  D    D    D   84(10)         7_565    8_566 ?
  D    D    D   32(11)         7_565    9_666 ?
  D    D    D   141(11)        7_565   10_676 ?
  D    D    D   87(10)         7_565   11_456 ?
  D    D    D   36(11)         7_565   12_556 ?
  D    D    D   140(10)        7_565   13_566 ?
  D    D    D   90(10)         7_565   14_556 ?
  D    D    D   35(11)         7_565   15_656 ?
  D    D    D   145(11)        7_565   16_666 ?
  D    D    D   87(10)         7_565   17_456 ?
  D    D    D   36(11)         7_565   18_556 ?
  D    D    D   140(10)        7_565   19_566 ?
  D    D    D   84(10)         7_565   20_566 ?
  D    D    D   32(11)         7_565   21_666 ?
  D    D    D   141(11)        7_565   22_676 ?
  D    D    D   90(10)         7_565   23_556 ?
  D    D    D   35(11)         7_565   24_656 ?
  D    D    D   145(11)        7_565   25_666 ?
  D    D    H   61(13)         7_565   26_665 ?
  D    D    H   1(12)          7_565   27_565 ?
  D    D    H   60(13)         7_565   28_665 ?
  D    D    H   120(773)       7_565   29_555 ?
  D    D    H   84(10)         7_565   31_566 ?
  D    D    H   32(11)         7_565   32_666 ?
  D    D    H   141(11)        7_565   33_676 ?
  D    D    H   87(10)         7_565   34_456 ?
  D    D    H   36(11)         7_565   35_556 ?
  D    D    H   140(10)        7_565   36_566 ?
  D    D    H   90(10)         7_565   37_556 ?
  D    D    H   35(11)         7_565   38_656 ?
  D    D    H   145(11)        7_565   39_666 ?
  D    D    H   87(10)         7_565   40_456 ?
  D    D    H   36(11)         7_565   41_556 ?
  D    D    H   140(10)        7_565   42_566 ?
  D    D    H   84(10)         7_565   43_566 ?
  D    D    H   32(11)         7_565   44_666 ?
  D    D    H   141(11)        7_565   45_676 ?
  D    D    H   90(10)         7_565   46_556 ?
  D    D    H   35(11)         7_565   47_656 ?
  D    D    H   145(11)        7_565   48_666 ?
  D    D    D   97.4(16)       8_566    9_666 ?
  D    D    D   109.3(13)      8_566   10_676 ?
  D    D    D   3.2(8)         8_566   11_456 ?
  D    D    D   102.4(16)      8_566   12_556 ?
  D    D    D   113.3(12)      8_566   13_566 ?
  D    D    D   5.7(8)         8_566   14_556 ?
  D    D    D   98.8(16)       8_566   15_656 ?
  D    D    D   108.3(12)      8_566   16_666 ?
  D    D    D   3.3(8)         8_566   17_456 ?
  D    D    D   102.4(16)      8_566   18_556 ?
  D    D    D   113.3(12)      8_566   19_566 ?
  D    D    D   0.1(8)         8_566   20_566 ?
  D    D    D   97.4(16)       8_566   21_666 ?
  D    D    D   109.4(13)      8_566   22_676 ?
  D    D    D   5.7(8)         8_566   23_556 ?
  D    D    D   98.7(16)       8_566   24_656 ?
  D    D    D   108.3(12)      8_566   25_666 ?
  D    D    H   31(7)          8_566   26_665 ?
  D    D    H   84(10)         8_566   27_565 ?
  D    D    H   32(7)          8_566   28_665 ?
  D    D    H   41(657)        8_566   29_555 ?
  D    D    H   84(10)         8_566   30_565 ?
  D    D    H   97.4(16)       8_566   32_666 ?
  D    D    H   109.3(13)      8_566   33_676 ?
  D    D    H   3.2(8)         8_566   34_456 ?
  D    D    H   102.4(16)      8_566   35_556 ?
  D    D    H   113.3(12)      8_566   36_566 ?
  D    D    H   5.7(8)         8_566   37_556 ?
  D    D    H   98.8(16)       8_566   38_656 ?
  D    D    H   108.3(12)      8_566   39_666 ?
  D    D    H   3.3(8)         8_566   40_456 ?
  D    D    H   102.4(16)      8_566   41_556 ?
  D    D    H   113.3(12)      8_566   42_566 ?
  D    D    H   0.1(8)         8_566   43_566 ?
  D    D    H   97.4(16)       8_566   44_666 ?
  D    D    H   109.4(13)      8_566   45_676 ?
  D    D    H   5.7(8)         8_566   46_556 ?
  D    D    H   98.7(16)       8_566   47_656 ?
  D    D    H   108.3(12)      8_566   48_666 ?
  D    D    D   109.6(18)      9_666   10_676 ?
  D    D    D   98.6(17)       9_666   11_456 ?
  D    D    D   5.7(12)        9_666   12_556 ?
  D    D    D   108.4(17)      9_666   13_566 ?
  D    D    D   102.4(17)      9_666   14_556 ?
  D    D    D   3.3(12)        9_666   15_656 ?
  D    D    D   113.4(18)      9_666   16_666 ?
  D    D    D   98.7(17)       9_666   17_456 ?
  D    D    D   5.8(12)        9_666   18_556 ?
  D    D    D   108.4(17)      9_666   19_566 ?
  D    D    D   97.3(16)       9_666   20_566 ?
  D    D    D   0.1(12)        9_666   21_666 ?
  D    D    D   109.5(18)      9_666   22_676 ?
  D    D    D   102.3(17)      9_666   23_556 ?
  D    D    D   3.3(12)        9_666   24_656 ?
  D    D    D   113.4(18)      9_666   25_666 ?
  D    D    H   85(10)         9_666   26_665 ?
  D    D    H   32(11)         9_666   27_565 ?
  D    D    H   84(10)         9_666   28_665 ?
  D    D    H   139(776)       9_666   29_555 ?
  D    D    H   32(11)         9_666   30_565 ?
  D    D    H   97.4(16)       9_666   31_566 ?
  D    D    H   109.6(18)      9_666   33_676 ?
  D    D    H   98.6(17)       9_666   34_456 ?
  D    D    H   5.7(12)        9_666   35_556 ?
  D    D    H   108.4(17)      9_666   36_566 ?
  D    D    H   102.4(17)      9_666   37_556 ?
  D    D    H   3.3(12)        9_666   38_656 ?
  D    D    H   113.4(18)      9_666   39_666 ?
  D    D    H   98.7(17)       9_666   40_456 ?
  D    D    H   5.8(12)        9_666   41_556 ?
  D    D    H   108.4(17)      9_666   42_566 ?
  D    D    H   97.3(16)       9_666   43_566 ?
  D    D    H   0.1(12)        9_666   44_666 ?
  D    D    H   109.5(18)      9_666   45_676 ?
  D    D    H   102.3(17)      9_666   46_556 ?
  D    D    H   3.3(12)        9_666   47_656 ?
  D    D    H   113.4(18)      9_666   48_666 ?
  D    D    D   106.1(13)     10_676   11_456 ?
  D    D    D   105.0(18)     10_676   12_556 ?
  D    D    D   4.0(9)        10_676   13_566 ?
  D    D    D   104.7(13)     10_676   14_556 ?
  D    D    D   106.2(19)     10_676   15_656 ?
  D    D    D   3.9(10)       10_676   16_666 ?
  D    D    D   106.0(13)     10_676   17_456 ?
  D    D    D   104.9(18)     10_676   18_556 ?
  D    D    D   4.0(9)        10_676   19_566 ?
  D    D    D   109.4(13)     10_676   20_566 ?
  D    D    D   109.5(18)     10_676   21_666 ?
  D    D    D   0.1(10)       10_676   22_676 ?
  D    D    D   104.8(13)     10_676   23_556 ?
  D    D    D   106.3(19)     10_676   24_656 ?
  D    D    D   3.9(10)       10_676   25_666 ?
  D    D    H   141(8)        10_676   26_665 ?
  D    D    H   142(11)       10_676   27_565 ?
  D    D    H   141(8)        10_676   28_665 ?
  D    D    H   90(663)       10_676   29_555 ?
  D    D    H   141(11)       10_676   30_565 ?
  D    D    H   109.3(13)     10_676   31_566 ?
  D    D    H   109.6(18)     10_676   32_666 ?
  D    D    H   106.1(13)     10_676   34_456 ?
  D    D    H   105.0(18)     10_676   35_556 ?
  D    D    H   4.0(9)        10_676   36_566 ?
  D    D    H   104.7(13)     10_676   37_556 ?
  D    D    H   106.2(19)     10_676   38_656 ?
  D    D    H   3.9(10)       10_676   39_666 ?
  D    D    H   106.0(13)     10_676   40_456 ?
  D    D    H   104.9(18)     10_676   41_556 ?
  D    D    H   4.0(9)        10_676   42_566 ?
  D    D    H   109.4(13)     10_676   43_566 ?
  D    D    H   109.5(18)     10_676   44_666 ?
  D    D    H   0.1(10)       10_676   45_676 ?
  D    D    H   104.8(13)     10_676   46_556 ?
  D    D    H   106.3(19)     10_676   47_656 ?
  D    D    H   3.9(10)       10_676   48_666 ?
  D    D    D   103.5(17)     11_456   12_556 ?
  D    D    D   110.1(13)     11_456   13_566 ?
  D    D    D   3.8(9)        11_456   14_556 ?
  D    D    D   99.8(17)      11_456   15_656 ?
  D    D    D   105.1(13)     11_456   16_666 ?
  D    D    D   0.1(9)        11_456   17_456 ?
  D    D    D   103.5(17)     11_456   18_556 ?
  D    D    D   110.1(13)     11_456   19_566 ?
  D    D    D   3.3(8)        11_456   20_566 ?
  D    D    D   98.7(17)      11_456   21_666 ?
  D    D    D   106.2(13)     11_456   22_676 ?
  D    D    D   3.7(9)        11_456   23_556 ?
  D    D    D   99.8(17)      11_456   24_656 ?
  D    D    D   105.0(13)     11_456   25_666 ?
  D    D    H   34(7)         11_456   26_665 ?
  D    D    H   86(10)        11_456   27_565 ?
  D    D    H   35(7)         11_456   28_665 ?
  D    D    H   40(660)       11_456   29_555 ?
  D    D    H   87(10)        11_456   30_565 ?
  D    D    H   3.2(8)        11_456   31_566 ?
  D    D    H   98.6(17)      11_456   32_666 ?
  D    D    H   106.1(13)     11_456   33_676 ?
  D    D    H   103.5(17)     11_456   35_556 ?
  D    D    H   110.1(13)     11_456   36_566 ?
  D    D    H   3.8(9)        11_456   37_556 ?
  D    D    H   99.8(17)      11_456   38_656 ?
  D    D    H   105.1(13)     11_456   39_666 ?
  D    D    H   0.1(9)        11_456   40_456 ?
  D    D    H   103.5(17)     11_456   41_556 ?
  D    D    H   110.1(13)     11_456   42_566 ?
  D    D    H   3.3(8)        11_456   43_566 ?
  D    D    H   98.7(17)      11_456   44_666 ?
  D    D    H   106.2(13)     11_456   45_676 ?
  D    D    H   3.7(9)        11_456   46_556 ?
  D    D    H   99.8(17)      11_456   47_656 ?
  D    D    H   105.0(13)     11_456   48_666 ?
  D    D    D   103.6(17)     12_556   13_566 ?
  D    D    D   107.2(17)     12_556   14_556 ?
  D    D    D   3.7(12)       12_556   15_656 ?
  D    D    D   108.8(18)     12_556   16_666 ?
  D    D    D   103.6(17)     12_556   17_456 ?
  D    D    D   0.1(12)       12_556   18_556 ?
  D    D    D   103.6(17)     12_556   19_566 ?
  D    D    D   102.4(16)     12_556   20_566 ?
  D    D    D   5.7(12)       12_556   21_666 ?
  D    D    D   104.9(18)     12_556   22_676 ?
  D    D    D   107.2(17)     12_556   23_556 ?
  D    D    D   3.7(12)       12_556   24_656 ?
  D    D    D   108.9(18)     12_556   25_666 ?
  D    D    H   91(10)        12_556   26_665 ?
  D    D    H   37(11)        12_556   27_565 ?
  D    D    H   90(10)        12_556   28_665 ?
  D    D    H   144(777)      12_556   29_555 ?
  D    D    H   36(11)        12_556   30_565 ?
  D    D    H   102.4(16)     12_556   31_566 ?
  D    D    H   5.7(12)       12_556   32_666 ?
  D    D    H   105.0(18)     12_556   33_676 ?
  D    D    H   103.5(17)     12_556   34_456 ?
  D    D    H   103.6(17)     12_556   36_566 ?
  D    D    H   107.2(17)     12_556   37_556 ?
  D    D    H   3.7(12)       12_556   38_656 ?
  D    D    H   108.8(18)     12_556   39_666 ?
  D    D    H   103.6(17)     12_556   40_456 ?
  D    D    H   0.1(12)       12_556   41_556 ?
  D    D    H   103.6(17)     12_556   42_566 ?
  D    D    H   102.4(16)     12_556   43_566 ?
  D    D    H   5.7(12)       12_556   44_666 ?
  D    D    H   104.9(18)     12_556   45_676 ?
  D    D    H   107.2(17)     12_556   46_556 ?
  D    D    H   3.7(12)       12_556   47_656 ?
  D    D    H   108.9(18)     12_556   48_666 ?
  D    D    D   108.7(12)     13_566   14_556 ?
  D    D    D   105.1(18)     13_566   15_656 ?
  D    D    D   6.2(9)        13_566   16_666 ?
  D    D    D   110.0(13)     13_566   17_456 ?
  D    D    D   103.5(17)     13_566   18_556 ?
  D    D    D   0.1(9)        13_566   19_566 ?
  D    D    D   113.3(12)     13_566   20_566 ?
  D    D    D   108.4(17)     13_566   21_666 ?
  D    D    D   3.9(9)        13_566   22_676 ?
  D    D    D   108.8(12)     13_566   23_556 ?
  D    D    D   105.1(18)     13_566   24_656 ?
  D    D    D   6.3(9)        13_566   25_666 ?
  D    D    H   144(8)        13_566   26_665 ?
  D    D    H   141(10)       13_566   27_565 ?
  D    D    H   145(8)        13_566   28_665 ?
  D    D    H   93(660)       13_566   29_555 ?
  D    D    H   140(10)       13_566   30_565 ?
  D    D    H   113.3(12)     13_566   31_566 ?
  D    D    H   108.4(17)     13_566   32_666 ?
  D    D    H   4.0(9)        13_566   33_676 ?
  D    D    H   110.1(13)     13_566   34_456 ?
  D    D    H   103.6(17)     13_566   35_556 ?
  D    D    H   108.7(12)     13_566   37_556 ?
  D    D    H   105.1(18)     13_566   38_656 ?
  D    D    H   6.2(9)        13_566   39_666 ?
  D    D    H   110.0(13)     13_566   40_456 ?
  D    D    H   103.5(17)     13_566   41_556 ?
  D    D    H   0.1(9)        13_566   42_566 ?
  D    D    H   113.3(12)     13_566   43_566 ?
  D    D    H   108.4(17)     13_566   44_666 ?
  D    D    H   3.9(9)        13_566   45_676 ?
  D    D    H   108.8(12)     13_566   46_556 ?
  D    D    H   105.1(18)     13_566   47_656 ?
  D    D    H   6.3(9)        13_566   48_666 ?
  D    D    D   103.6(17)     14_556   15_656 ?
  D    D    D   103.5(12)     14_556   16_666 ?
  D    D    D   3.7(9)        14_556   17_456 ?
  D    D    D   107.3(17)     14_556   18_556 ?
  D    D    D   108.7(12)     14_556   19_566 ?
  D    D    D   5.8(8)        14_556   20_566 ?
  D    D    D   102.4(17)     14_556   21_666 ?
  D    D    D   104.8(13)     14_556   22_676 ?
  D    D    D   0.1(8)        14_556   23_556 ?
  D    D    D   103.5(17)     14_556   24_656 ?
  D    D    D   103.4(12)     14_556   25_666 ?
  D    D    H   36(8)         14_556   26_665 ?
  D    D    H   89(10)        14_556   27_565 ?
  D    D    H   36(8)         14_556   28_665 ?
  D    D    H   36(670)       14_556   29_555 ?
  D    D    H   90(10)        14_556   30_565 ?
  D    D    H   5.7(8)        14_556   31_566 ?
  D    D    H   102.4(17)     14_556   32_666 ?
  D    D    H   104.7(13)     14_556   33_676 ?
  D    D    H   3.8(9)        14_556   34_456 ?
  D    D    H   107.2(17)     14_556   35_556 ?
  D    D    H   108.7(12)     14_556   36_566 ?
  D    D    H   103.6(17)     14_556   38_656 ?
  D    D    H   103.5(12)     14_556   39_666 ?
  D    D    H   3.7(9)        14_556   40_456 ?
  D    D    H   107.3(17)     14_556   41_556 ?
  D    D    H   108.7(12)     14_556   42_566 ?
  D    D    H   5.8(8)        14_556   43_566 ?
  D    D    H   102.4(17)     14_556   44_666 ?
  D    D    H   104.8(13)     14_556   45_676 ?
  D    D    H   0.1(8)        14_556   46_556 ?
  D    D    H   103.5(17)     14_556   47_656 ?
  D    D    H   103.4(12)     14_556   48_666 ?
  D    D    D   110.1(18)     15_656   16_666 ?
  D    D    D   99.9(17)      15_656   17_456 ?
  D    D    D   3.7(12)       15_656   18_556 ?
  D    D    D   105.1(18)     15_656   19_566 ?
  D    D    D   98.7(16)      15_656   20_566 ?
  D    D    D   3.3(12)       15_656   21_666 ?
  D    D    D   106.1(19)     15_656   22_676 ?
  D    D    D   103.6(17)     15_656   23_556 ?
  D    D    D   0.1(13)       15_656   24_656 ?
  D    D    D   110.1(18)     15_656   25_666 ?
  D    D    H   88(10)        15_656   26_665 ?
  D    D    H   36(11)        15_656   27_565 ?
  D    D    H   87(10)        15_656   28_665 ?
  D    D    H   140(771)      15_656   29_555 ?
  D    D    H   35(11)        15_656   30_565 ?
  D    D    H   98.8(16)      15_656   31_566 ?
  D    D    H   3.3(12)       15_656   32_666 ?
  D    D    H   106.2(19)     15_656   33_676 ?
  D    D    H   99.8(17)      15_656   34_456 ?
  D    D    H   3.7(12)       15_656   35_556 ?
  D    D    H   105.1(18)     15_656   36_566 ?
  D    D    H   103.6(17)     15_656   37_556 ?
  D    D    H   110.1(18)     15_656   39_666 ?
  D    D    H   99.9(17)      15_656   40_456 ?
  D    D    H   3.7(12)       15_656   41_556 ?
  D    D    H   105.1(18)     15_656   42_566 ?
  D    D    H   98.7(16)      15_656   43_566 ?
  D    D    H   3.3(12)       15_656   44_666 ?
  D    D    H   106.1(19)     15_656   45_676 ?
  D    D    H   103.6(17)     15_656   46_556 ?
  D    D    H   0.1(13)       15_656   47_656 ?
  D    D    H   110.1(18)     15_656   48_666 ?
  D    D    D   105.0(13)     16_666   17_456 ?
  D    D    D   108.8(18)     16_666   18_556 ?
  D    D    D   6.2(9)        16_666   19_566 ?
  D    D    D   108.3(12)     16_666   20_566 ?
  D    D    D   113.4(18)     16_666   21_666 ?
  D    D    D   4.0(10)       16_666   22_676 ?
  D    D    D   103.5(12)     16_666   23_556 ?
  D    D    D   110.2(18)     16_666   24_656 ?
  D    D    D   0.1(9)        16_666   25_666 ?
  D    D    H   139(8)        16_666   26_665 ?
  D    D    H   146(11)       16_666   27_565 ?
  D    D    H   140(8)        16_666   28_665 ?
  D    D    H   87(675)       16_666   29_555 ?
  D    D    H   145(11)       16_666   30_565 ?
  D    D    H   108.3(12)     16_666   31_566 ?
  D    D    H   113.4(18)     16_666   32_666 ?
  D    D    H   3.9(10)       16_666   33_676 ?
  D    D    H   105.1(13)     16_666   34_456 ?
  D    D    H   108.8(18)     16_666   35_556 ?
  D    D    H   6.2(9)        16_666   36_566 ?
  D    D    H   103.5(12)     16_666   37_556 ?
  D    D    H   110.1(18)     16_666   38_656 ?
  D    D    H   105.0(13)     16_666   40_456 ?
  D    D    H   108.8(18)     16_666   41_556 ?
  D    D    H   6.2(9)        16_666   42_566 ?
  D    D    H   108.3(12)     16_666   43_566 ?
  D    D    H   113.4(18)     16_666   44_666 ?
  D    D    H   4.0(10)       16_666   45_676 ?
  D    D    H   103.5(12)     16_666   46_556 ?
  D    D    H   110.2(18)     16_666   47_656 ?
  D    D    H   0.1(9)        16_666   48_666 ?
  D    D    D   103.6(17)     17_456   18_556 ?
  D    D    D   110.0(13)     17_456   19_566 ?
  D    D    D   3.3(8)        17_456   20_566 ?
  D    D    D   98.8(17)      17_456   21_666 ?
  D    D    D   106.1(13)     17_456   22_676 ?
  D    D    D   3.7(9)        17_456   23_556 ?
  D    D    D   99.8(17)      17_456   24_656 ?
  D    D    D   105.0(13)     17_456   25_666 ?
  D    D    H   34(7)         17_456   26_665 ?
  D    D    H   86(10)        17_456   27_565 ?
  D    D    H   35(7)         17_456   28_665 ?
  D    D    H   40(660)       17_456   29_555 ?
  D    D    H   87(10)        17_456   30_565 ?
  D    D    H   3.3(8)        17_456   31_566 ?
  D    D    H   98.7(17)      17_456   32_666 ?
  D    D    H   106.0(13)     17_456   33_676 ?
  D    D    H   0.1(9)        17_456   34_456 ?
  D    D    H   103.6(17)     17_456   35_556 ?
  D    D    H   110.0(13)     17_456   36_566 ?
  D    D    H   3.7(9)        17_456   37_556 ?
  D    D    H   99.9(17)      17_456   38_656 ?
  D    D    H   105.0(13)     17_456   39_666 ?
  D    D    H   103.6(17)     17_456   41_556 ?
  D    D    H   110.0(13)     17_456   42_566 ?
  D    D    H   3.3(8)        17_456   43_566 ?
  D    D    H   98.8(17)      17_456   44_666 ?
  D    D    H   106.1(13)     17_456   45_676 ?
  D    D    H   3.7(9)        17_456   46_556 ?
  D    D    H   99.8(17)      17_456   47_656 ?
  D    D    H   105.0(13)     17_456   48_666 ?
  D    D    D   103.6(17)     18_556   19_566 ?
  D    D    D   102.4(16)     18_556   20_566 ?
  D    D    D   5.7(12)       18_556   21_666 ?
  D    D    D   104.8(18)     18_556   22_676 ?
  D    D    D   107.2(17)     18_556   23_556 ?
  D    D    D   3.8(12)       18_556   24_656 ?
  D    D    D   108.8(18)     18_556   25_666 ?
  D    D    H   91(10)        18_556   26_665 ?
  D    D    H   37(11)        18_556   27_565 ?
  D    D    H   90(10)        18_556   28_665 ?
  D    D    H   144(777)      18_556   29_555 ?
  D    D    H   36(11)        18_556   30_565 ?
  D    D    H   102.4(16)     18_556   31_566 ?
  D    D    H   5.8(12)       18_556   32_666 ?
  D    D    H   104.9(18)     18_556   33_676 ?
  D    D    H   103.5(17)     18_556   34_456 ?
  D    D    H   0.1(12)       18_556   35_556 ?
  D    D    H   103.5(17)     18_556   36_566 ?
  D    D    H   107.3(17)     18_556   37_556 ?
  D    D    H   3.7(12)       18_556   38_656 ?
  D    D    H   108.8(18)     18_556   39_666 ?
  D    D    H   103.6(17)     18_556   40_456 ?
  D    D    H   103.6(17)     18_556   42_566 ?
  D    D    H   102.4(16)     18_556   43_566 ?
  D    D    H   5.7(12)       18_556   44_666 ?
  D    D    H   104.8(18)     18_556   45_676 ?
  D    D    H   107.2(17)     18_556   46_556 ?
  D    D    H   3.8(12)       18_556   47_656 ?
  D    D    H   108.8(18)     18_556   48_666 ?
  D    D    D   113.3(12)     19_566   20_566 ?
  D    D    D   108.4(17)     19_566   21_666 ?
  D    D    D   3.9(9)        19_566   22_676 ?
  D    D    D   108.7(12)     19_566   23_556 ?
  D    D    D   105.2(18)     19_566   24_656 ?
  D    D    D   6.2(9)        19_566   25_666 ?
  D    D    H   144(8)        19_566   26_665 ?
  D    D    H   141(10)       19_566   27_565 ?
  D    D    H   145(8)        19_566   28_665 ?
  D    D    H   93(660)       19_566   29_555 ?
  D    D    H   140(10)       19_566   30_565 ?
  D    D    H   113.3(12)     19_566   31_566 ?
  D    D    H   108.4(17)     19_566   32_666 ?
  D    D    H   4.0(9)        19_566   33_676 ?
  D    D    H   110.1(13)     19_566   34_456 ?
  D    D    H   103.6(17)     19_566   35_556 ?
  D    D    H   0.1(9)        19_566   36_566 ?
  D    D    H   108.7(12)     19_566   37_556 ?
  D    D    H   105.1(18)     19_566   38_656 ?
  D    D    H   6.2(9)        19_566   39_666 ?
  D    D    H   110.0(13)     19_566   40_456 ?
  D    D    H   103.6(17)     19_566   41_556 ?
  D    D    H   113.3(12)     19_566   43_566 ?
  D    D    H   108.4(17)     19_566   44_666 ?
  D    D    H   3.9(9)        19_566   45_676 ?
  D    D    H   108.7(12)     19_566   46_556 ?
  D    D    H   105.2(18)     19_566   47_656 ?
  D    D    H   6.2(9)        19_566   48_666 ?
  D    D    D   97.4(16)      20_566   21_666 ?
  D    D    D   109.4(13)     20_566   22_676 ?
  D    D    D   5.7(8)        20_566   23_556 ?
  D    D    D   98.6(16)      20_566   24_656 ?
  D    D    D   108.3(12)     20_566   25_666 ?
  D    D    H   31(7)         20_566   26_665 ?
  D    D    H   84(10)        20_566   27_565 ?
  D    D    H   32(7)         20_566   28_665 ?
  D    D    H   41(657)       20_566   29_555 ?
  D    D    H   84(10)        20_566   30_565 ?
  D    D    H   0.1(8)        20_566   31_566 ?
  D    D    H   97.3(16)      20_566   32_666 ?
  D    D    H   109.4(13)     20_566   33_676 ?
  D    D    H   3.3(8)        20_566   34_456 ?
  D    D    H   102.4(16)     20_566   35_556 ?
  D    D    H   113.3(12)     20_566   36_566 ?
  D    D    H   5.8(8)        20_566   37_556 ?
  D    D    H   98.7(16)      20_566   38_656 ?
  D    D    H   108.3(12)     20_566   39_666 ?
  D    D    H   3.3(8)        20_566   40_456 ?
  D    D    H   102.4(16)     20_566   41_556 ?
  D    D    H   113.3(12)     20_566   42_566 ?
  D    D    H   97.4(16)      20_566   44_666 ?
  D    D    H   109.4(13)     20_566   45_676 ?
  D    D    H   5.7(8)        20_566   46_556 ?
  D    D    H   98.6(16)      20_566   47_656 ?
  D    D    H   108.3(12)     20_566   48_666 ?
  D    D    D   109.4(18)     21_666   22_676 ?
  D    D    D   102.4(17)     21_666   23_556 ?
  D    D    D   3.2(12)       21_666   24_656 ?
  D    D    D   113.4(18)     21_666   25_666 ?
  D    D    H   85(10)        21_666   26_665 ?
  D    D    H   32(11)        21_666   27_565 ?
  D    D    H   84(10)        21_666   28_665 ?
  D    D    H   139(776)      21_666   29_555 ?
  D    D    H   32(11)        21_666   30_565 ?
  D    D    H   97.4(16)      21_666   31_566 ?
  D    D    H   0.1(12)       21_666   32_666 ?
  D    D    H   109.5(18)     21_666   33_676 ?
  D    D    H   98.7(17)      21_666   34_456 ?
  D    D    H   5.7(12)       21_666   35_556 ?
  D    D    H   108.4(17)     21_666   36_566 ?
  D    D    H   102.4(17)     21_666   37_556 ?
  D    D    H   3.3(12)       21_666   38_656 ?
  D    D    H   113.4(18)     21_666   39_666 ?
  D    D    H   98.8(17)      21_666   40_456 ?
  D    D    H   5.7(12)       21_666   41_556 ?
  D    D    H   108.4(17)     21_666   42_566 ?
  D    D    H   97.4(16)      21_666   43_566 ?
  D    D    H   109.4(18)     21_666   45_676 ?
  D    D    H   102.4(17)     21_666   46_556 ?
  D    D    H   3.2(12)       21_666   47_656 ?
  D    D    H   113.4(18)     21_666   48_666 ?
  D    D    D   104.9(13)     22_676   23_556 ?
  D    D    D   106.2(19)     22_676   24_656 ?
  D    D    D   4.0(10)       22_676   25_666 ?
  D    D    H   141(8)        22_676   26_665 ?
  D    D    H   142(10)       22_676   27_565 ?
  D    D    H   141(8)        22_676   28_665 ?
  D    D    H   90(663)       22_676   29_555 ?
  D    D    H   141(11)       22_676   30_565 ?
  D    D    H   109.4(13)     22_676   31_566 ?
  D    D    H   109.5(18)     22_676   32_666 ?
  D    D    H   0.1(10)       22_676   33_676 ?
  D    D    H   106.2(13)     22_676   34_456 ?
  D    D    H   104.9(18)     22_676   35_556 ?
  D    D    H   3.9(9)        22_676   36_566 ?
  D    D    H   104.8(13)     22_676   37_556 ?
  D    D    H   106.1(19)     22_676   38_656 ?
  D    D    H   4.0(10)       22_676   39_666 ?
  D    D    H   106.1(13)     22_676   40_456 ?
  D    D    H   104.8(18)     22_676   41_556 ?
  D    D    H   3.9(9)        22_676   42_566 ?
  D    D    H   109.4(13)     22_676   43_566 ?
  D    D    H   109.4(18)     22_676   44_666 ?
  D    D    H   104.9(13)     22_676   46_556 ?
  D    D    H   106.2(19)     22_676   47_656 ?
  D    D    H   4.0(10)       22_676   48_666 ?
  D    D    D   103.5(17)     23_556   24_656 ?
  D    D    D   103.5(12)     23_556   25_666 ?
  D    D    H   36(8)         23_556   26_665 ?
  D    D    H   89(10)        23_556   27_565 ?
  D    D    H   36(8)         23_556   28_665 ?
  D    D    H   36(670)       23_556   29_555 ?
  D    D    H   90(10)        23_556   30_565 ?
  D    D    H   5.7(8)        23_556   31_566 ?
  D    D    H   102.3(17)     23_556   32_666 ?
  D    D    H   104.8(13)     23_556   33_676 ?
  D    D    H   3.7(9)        23_556   34_456 ?
  D    D    H   107.2(17)     23_556   35_556 ?
  D    D    H   108.8(12)     23_556   36_566 ?
  D    D    H   0.1(8)        23_556   37_556 ?
  D    D    H   103.6(17)     23_556   38_656 ?
  D    D    H   103.5(12)     23_556   39_666 ?
  D    D    H   3.7(9)        23_556   40_456 ?
  D    D    H   107.2(17)     23_556   41_556 ?
  D    D    H   108.7(12)     23_556   42_566 ?
  D    D    H   5.7(8)        23_556   43_566 ?
  D    D    H   102.4(17)     23_556   44_666 ?
  D    D    H   104.9(13)     23_556   45_676 ?
  D    D    H   103.5(17)     23_556   47_656 ?
  D    D    H   103.5(12)     23_556   48_666 ?
  D    D    D   110.2(18)     24_656   25_666 ?
  D    D    H   87(10)        24_656   26_665 ?
  D    D    H   35(11)        24_656   27_565 ?
  D    D    H   87(10)        24_656   28_665 ?
  D    D    H   140(771)      24_656   29_555 ?
  D    D    H   35(11)        24_656   30_565 ?
  D    D    H   98.7(16)      24_656   31_566 ?
  D    D    H   3.3(12)       24_656   32_666 ?
  D    D    H   106.3(19)     24_656   33_676 ?
  D    D    H   99.8(17)      24_656   34_456 ?
  D    D    H   3.7(12)       24_656   35_556 ?
  D    D    H   105.1(18)     24_656   36_566 ?
  D    D    H   103.5(17)     24_656   37_556 ?
  D    D    H   0.1(13)       24_656   38_656 ?
  D    D    H   110.2(18)     24_656   39_666 ?
  D    D    H   99.8(17)      24_656   40_456 ?
  D    D    H   3.8(12)       24_656   41_556 ?
  D    D    H   105.2(18)     24_656   42_566 ?
  D    D    H   98.6(16)      24_656   43_566 ?
  D    D    H   3.2(12)       24_656   44_666 ?
  D    D    H   106.2(19)     24_656   45_676 ?
  D    D    H   103.5(17)     24_656   46_556 ?
  D    D    H   110.2(18)     24_656   48_666 ?
  D    D    H   139(8)        25_666   26_665 ?
  D    D    H   146(11)       25_666   27_565 ?
  D    D    H   140(8)        25_666   28_665 ?
  D    D    H   87(675)       25_666   29_555 ?
  D    D    H   145(11)       25_666   30_565 ?
  D    D    H   108.3(12)     25_666   31_566 ?
  D    D    H   113.4(18)     25_666   32_666 ?
  D    D    H   3.9(10)       25_666   33_676 ?
  D    D    H   105.0(13)     25_666   34_456 ?
  D    D    H   108.9(18)     25_666   35_556 ?
  D    D    H   6.3(9)        25_666   36_566 ?
  D    D    H   103.4(12)     25_666   37_556 ?
  D    D    H   110.1(18)     25_666   38_656 ?
  D    D    H   0.1(9)        25_666   39_666 ?
  D    D    H   105.0(13)     25_666   40_456 ?
  D    D    H   108.8(18)     25_666   41_556 ?
  D    D    H   6.2(9)        25_666   42_566 ?
  D    D    H   108.3(12)     25_666   43_566 ?
  D    D    H   113.4(18)     25_666   44_666 ?
  D    D    H   4.0(10)       25_666   45_676 ?
  D    D    H   103.5(12)     25_666   46_556 ?
  D    D    H   110.2(18)     25_666   47_656 ?
  H    D    H   60(13)        26_665   27_565 ?
  H    D    H   1(7)          26_665   28_665 ?
  H    D    H   59(642)       26_665   29_555 ?
  H    D    H   61(13)        26_665   30_565 ?
  H    D    H   31(7)         26_665   31_566 ?
  H    D    H   85(10)        26_665   32_666 ?
  H    D    H   141(8)        26_665   33_676 ?
  H    D    H   34(7)         26_665   34_456 ?
  H    D    H   91(10)        26_665   35_556 ?
  H    D    H   144(8)        26_665   36_566 ?
  H    D    H   36(8)         26_665   37_556 ?
  H    D    H   88(10)        26_665   38_656 ?
  H    D    H   139(8)        26_665   39_666 ?
  H    D    H   34(7)         26_665   40_456 ?
  H    D    H   91(10)        26_665   41_556 ?
  H    D    H   144(8)        26_665   42_566 ?
  H    D    H   31(7)         26_665   43_566 ?
  H    D    H   85(10)        26_665   44_666 ?
  H    D    H   141(8)        26_665   45_676 ?
  H    D    H   36(8)         26_665   46_556 ?
  H    D    H   87(10)        26_665   47_656 ?
  H    D    H   139(8)        26_665   48_666 ?
  H    D    H   59(13)        27_565   28_665 ?
  H    D    H   119(772)      27_565   29_555 ?
  H    D    H   1(12)         27_565   30_565 ?
  H    D    H   84(10)        27_565   31_566 ?
  H    D    H   32(11)        27_565   32_666 ?
  H    D    H   142(11)       27_565   33_676 ?
  H    D    H   86(10)        27_565   34_456 ?
  H    D    H   37(11)        27_565   35_556 ?
  H    D    H   141(10)       27_565   36_566 ?
  H    D    H   89(10)        27_565   37_556 ?
  H    D    H   36(11)        27_565   38_656 ?
  H    D    H   146(11)       27_565   39_666 ?
  H    D    H   86(10)        27_565   40_456 ?
  H    D    H   37(11)        27_565   41_556 ?
  H    D    H   141(10)       27_565   42_566 ?
  H    D    H   84(10)        27_565   43_566 ?
  H    D    H   32(11)        27_565   44_666 ?
  H    D    H   142(10)       27_565   45_676 ?
  H    D    H   89(10)        27_565   46_556 ?
  H    D    H   35(11)        27_565   47_656 ?
  H    D    H   146(11)       27_565   48_666 ?
  H    D    H   60(642)       28_665   29_555 ?
  H    D    H   60(13)        28_665   30_565 ?
  H    D    H   32(7)         28_665   31_566 ?
  H    D    H   84(10)        28_665   32_666 ?
  H    D    H   141(8)        28_665   33_676 ?
  H    D    H   35(7)         28_665   34_456 ?
  H    D    H   90(10)        28_665   35_556 ?
  H    D    H   145(8)        28_665   36_566 ?
  H    D    H   36(8)         28_665   37_556 ?
  H    D    H   87(10)        28_665   38_656 ?
  H    D    H   140(8)        28_665   39_666 ?
  H    D    H   35(7)         28_665   40_456 ?
  H    D    H   90(10)        28_665   41_556 ?
  H    D    H   145(8)        28_665   42_566 ?
  H    D    H   32(7)         28_665   43_566 ?
  H    D    H   84(10)        28_665   44_666 ?
  H    D    H   141(8)        28_665   45_676 ?
  H    D    H   36(8)         28_665   46_556 ?
  H    D    H   87(10)        28_665   47_656 ?
  H    D    H   140(8)        28_665   48_666 ?
  H    D    H   120(773)      29_555   30_565 ?
  H    D    H   41(657)       29_555   31_566 ?
  H    D    H   139(776)      29_555   32_666 ?
  H    D    H   90(663)       29_555   33_676 ?
  H    D    H   40(660)       29_555   34_456 ?
  H    D    H   144(777)      29_555   35_556 ?
  H    D    H   93(660)       29_555   36_566 ?
  H    D    H   36(670)       29_555   37_556 ?
  H    D    H   140(771)      29_555   38_656 ?
  H    D    H   87(675)       29_555   39_666 ?
  H    D    H   40(660)       29_555   40_456 ?
  H    D    H   144(777)      29_555   41_556 ?
  H    D    H   93(660)       29_555   42_566 ?
  H    D    H   41(657)       29_555   43_566 ?
  H    D    H   139(776)      29_555   44_666 ?
  H    D    H   90(663)       29_555   45_676 ?
  H    D    H   36(670)       29_555   46_556 ?
  H    D    H   140(771)      29_555   47_656 ?
  H    D    H   87(675)       29_555   48_666 ?
  H    D    H   84(10)        30_565   31_566 ?
  H    D    H   32(11)        30_565   32_666 ?
  H    D    H   141(11)       30_565   33_676 ?
  H    D    H   87(10)        30_565   34_456 ?
  H    D    H   36(11)        30_565   35_556 ?
  H    D    H   140(10)       30_565   36_566 ?
  H    D    H   90(10)        30_565   37_556 ?
  H    D    H   35(11)        30_565   38_656 ?
  H    D    H   145(11)       30_565   39_666 ?
  H    D    H   87(10)        30_565   40_456 ?
  H    D    H   36(11)        30_565   41_556 ?
  H    D    H   140(10)       30_565   42_566 ?
  H    D    H   84(10)        30_565   43_566 ?
  H    D    H   32(11)        30_565   44_666 ?
  H    D    H   141(11)       30_565   45_676 ?
  H    D    H   90(10)        30_565   46_556 ?
  H    D    H   35(11)        30_565   47_656 ?
  H    D    H   145(11)       30_565   48_666 ?
  H    D    H   97.4(16)      31_566   32_666 ?
  H    D    H   109.3(13)     31_566   33_676 ?
  H    D    H   3.2(8)        31_566   34_456 ?
  H    D    H   102.4(16)     31_566   35_556 ?
  H    D    H   113.3(12)     31_566   36_566 ?
  H    D    H   5.7(8)        31_566   37_556 ?
  H    D    H   98.8(16)      31_566   38_656 ?
  H    D    H   108.3(12)     31_566   39_666 ?
  H    D    H   3.3(8)        31_566   40_456 ?
  H    D    H   102.4(16)     31_566   41_556 ?
  H    D    H   113.3(12)     31_566   42_566 ?
  H    D    H   0.1(8)        31_566   43_566 ?
  H    D    H   97.4(16)      31_566   44_666 ?
  H    D    H   109.4(13)     31_566   45_676 ?
  H    D    H   5.7(8)        31_566   46_556 ?
  H    D    H   98.7(16)      31_566   47_656 ?
  H    D    H   108.3(12)     31_566   48_666 ?
  H    D    H   109.6(18)     32_666   33_676 ?
  H    D    H   98.6(17)      32_666   34_456 ?
  H    D    H   5.7(12)       32_666   35_556 ?
  H    D    H   108.4(17)     32_666   36_566 ?
  H    D    H   102.4(17)     32_666   37_556 ?
  H    D    H   3.3(12)       32_666   38_656 ?
  H    D    H   113.4(18)     32_666   39_666 ?
  H    D    H   98.7(17)      32_666   40_456 ?
  H    D    H   5.8(12)       32_666   41_556 ?
  H    D    H   108.4(17)     32_666   42_566 ?
  H    D    H   97.3(16)      32_666   43_566 ?
  H    D    H   0.1(12)       32_666   44_666 ?
  H    D    H   109.5(18)     32_666   45_676 ?
  H    D    H   102.3(17)     32_666   46_556 ?
  H    D    H   3.3(12)       32_666   47_656 ?
  H    D    H   113.4(18)     32_666   48_666 ?
  H    D    H   106.1(13)     33_676   34_456 ?
  H    D    H   105.0(18)     33_676   35_556 ?
  H    D    H   4.0(9)        33_676   36_566 ?
  H    D    H   104.7(13)     33_676   37_556 ?
  H    D    H   106.2(19)     33_676   38_656 ?
  H    D    H   3.9(10)       33_676   39_666 ?
  H    D    H   106.0(13)     33_676   40_456 ?
  H    D    H   104.9(18)     33_676   41_556 ?
  H    D    H   4.0(9)        33_676   42_566 ?
  H    D    H   109.4(13)     33_676   43_566 ?
  H    D    H   109.5(18)     33_676   44_666 ?
  H    D    H   0.1(10)       33_676   45_676 ?
  H    D    H   104.8(13)     33_676   46_556 ?
  H    D    H   106.3(19)     33_676   47_656 ?
  H    D    H   3.9(10)       33_676   48_666 ?
  H    D    H   103.5(17)     34_456   35_556 ?
  H    D    H   110.1(13)     34_456   36_566 ?
  H    D    H   3.8(9)        34_456   37_556 ?
  H    D    H   99.8(17)      34_456   38_656 ?
  H    D    H   105.1(13)     34_456   39_666 ?
  H    D    H   0.1(9)        34_456   40_456 ?
  H    D    H   103.5(17)     34_456   41_556 ?
  H    D    H   110.1(13)     34_456   42_566 ?
  H    D    H   3.3(8)        34_456   43_566 ?
  H    D    H   98.7(17)      34_456   44_666 ?
  H    D    H   106.2(13)     34_456   45_676 ?
  H    D    H   3.7(9)        34_456   46_556 ?
  H    D    H   99.8(17)      34_456   47_656 ?
  H    D    H   105.0(13)     34_456   48_666 ?
  H    D    H   103.6(17)     35_556   36_566 ?
  H    D    H   107.2(17)     35_556   37_556 ?
  H    D    H   3.7(12)       35_556   38_656 ?
  H    D    H   108.8(18)     35_556   39_666 ?
  H    D    H   103.6(17)     35_556   40_456 ?
  H    D    H   0.1(12)       35_556   41_556 ?
  H    D    H   103.6(17)     35_556   42_566 ?
  H    D    H   102.4(16)     35_556   43_566 ?
  H    D    H   5.7(12)       35_556   44_666 ?
  H    D    H   104.9(18)     35_556   45_676 ?
  H    D    H   107.2(17)     35_556   46_556 ?
  H    D    H   3.7(12)       35_556   47_656 ?
  H    D    H   108.9(18)     35_556   48_666 ?
  H    D    H   108.7(12)     36_566   37_556 ?
  H    D    H   105.1(18)     36_566   38_656 ?
  H    D    H   6.2(9)        36_566   39_666 ?
  H    D    H   110.0(13)     36_566   40_456 ?
  H    D    H   103.5(17)     36_566   41_556 ?
  H    D    H   0.1(9)        36_566   42_566 ?
  H    D    H   113.3(12)     36_566   43_566 ?
  H    D    H   108.4(17)     36_566   44_666 ?
  H    D    H   3.9(9)        36_566   45_676 ?
  H    D    H   108.8(12)     36_566   46_556 ?
  H    D    H   105.1(18)     36_566   47_656 ?
  H    D    H   6.3(9)        36_566   48_666 ?
  H    D    H   103.6(17)     37_556   38_656 ?
  H    D    H   103.5(12)     37_556   39_666 ?
  H    D    H   3.7(9)        37_556   40_456 ?
  H    D    H   107.3(17)     37_556   41_556 ?
  H    D    H   108.7(12)     37_556   42_566 ?
  H    D    H   5.8(8)        37_556   43_566 ?
  H    D    H   102.4(17)     37_556   44_666 ?
  H    D    H   104.8(13)     37_556   45_676 ?
  H    D    H   0.1(8)        37_556   46_556 ?
  H    D    H   103.5(17)     37_556   47_656 ?
  H    D    H   103.4(12)     37_556   48_666 ?
  H    D    H   110.1(18)     38_656   39_666 ?
  H    D    H   99.9(17)      38_656   40_456 ?
  H    D    H   3.7(12)       38_656   41_556 ?
  H    D    H   105.1(18)     38_656   42_566 ?
  H    D    H   98.7(16)      38_656   43_566 ?
  H    D    H   3.3(12)       38_656   44_666 ?
  H    D    H   106.1(19)     38_656   45_676 ?
  H    D    H   103.6(17)     38_656   46_556 ?
  H    D    H   0.1(13)       38_656   47_656 ?
  H    D    H   110.1(18)     38_656   48_666 ?
  H    D    H   105.0(13)     39_666   40_456 ?
  H    D    H   108.8(18)     39_666   41_556 ?
  H    D    H   6.2(9)        39_666   42_566 ?
  H    D    H   108.3(12)     39_666   43_566 ?
  H    D    H   113.4(18)     39_666   44_666 ?
  H    D    H   4.0(10)       39_666   45_676 ?
  H    D    H   103.5(12)     39_666   46_556 ?
  H    D    H   110.2(18)     39_666   47_656 ?
  H    D    H   0.1(9)        39_666   48_666 ?
  H    D    H   103.6(17)     40_456   41_556 ?
  H    D    H   110.0(13)     40_456   42_566 ?
  H    D    H   3.3(8)        40_456   43_566 ?
  H    D    H   98.8(17)      40_456   44_666 ?
  H    D    H   106.1(13)     40_456   45_676 ?
  H    D    H   3.7(9)        40_456   46_556 ?
  H    D    H   99.8(17)      40_456   47_656 ?
  H    D    H   105.0(13)     40_456   48_666 ?
  H    D    H   103.6(17)     41_556   42_566 ?
  H    D    H   102.4(16)     41_556   43_566 ?
  H    D    H   5.7(12)       41_556   44_666 ?
  H    D    H   104.8(18)     41_556   45_676 ?
  H    D    H   107.2(17)     41_556   46_556 ?
  H    D    H   3.8(12)       41_556   47_656 ?
  H    D    H   108.8(18)     41_556   48_666 ?
  H    D    H   113.3(12)     42_566   43_566 ?
  H    D    H   108.4(17)     42_566   44_666 ?
  H    D    H   3.9(9)        42_566   45_676 ?
  H    D    H   108.7(12)     42_566   46_556 ?
  H    D    H   105.2(18)     42_566   47_656 ?
  H    D    H   6.2(9)        42_566   48_666 ?
  H    D    H   97.4(16)      43_566   44_666 ?
  H    D    H   109.4(13)     43_566   45_676 ?
  H    D    H   5.7(8)        43_566   46_556 ?
  H    D    H   98.6(16)      43_566   47_656 ?
  H    D    H   108.3(12)     43_566   48_666 ?
  H    D    H   109.4(18)     44_666   45_676 ?
  H    D    H   102.4(17)     44_666   46_556 ?
  H    D    H   3.2(12)       44_666   47_656 ?
  H    D    H   113.4(18)     44_666   48_666 ?
  H    D    H   104.9(13)     45_676   46_556 ?
  H    D    H   106.2(19)     45_676   47_656 ?
  H    D    H   4.0(10)       45_676   48_666 ?
  H    D    H   103.5(17)     46_556   47_656 ?
  H    D    H   103.5(12)     46_556   48_666 ?
  H    D    H   110.2(18)     47_656   48_666 ?
  O    H    O   142.5(5)           .    2_676 ?
  O    H    D   84(5)              .    3_665 ?
  O    H    D   84(8)              .    4_565 ?
  O    H    D   84(5)              .    5_665 ?
  O    H    D   90(550)            .    6_555 ?
  O    H    D   84(8)              .    7_565 ?
  O    H    D   107.0(11)          .    8_566 ?
  O    H    D   107.2(15)          .    9_666 ?
  O    H    D   123.3(12)          .   10_676 ?
  O    H    D   109.3(11)          .   11_456 ?
  O    H    D   107.9(15)          .   12_556 ?
  O    H    D   120.9(12)          .   13_566 ?
  O    H    D   107.8(11)          .   14_556 ?
  O    H    D   109.5(16)          .   15_656 ?
  O    H    D   120.8(12)          .   16_666 ?
  O    H    D   109.3(11)          .   17_456 ?
  O    H    D   107.9(15)          .   18_556 ?
  O    H    D   120.9(12)          .   19_566 ?
  O    H    D   107.0(11)          .   20_566 ?
  O    H    D   107.2(15)          .   21_666 ?
  O    H    D   123.3(12)          .   22_676 ?
  O    H    D   107.7(11)          .   23_556 ?
  O    H    D   109.5(16)          .   24_656 ?
  O    H    D   120.9(12)          .   25_666 ?
  O    H    H   84(5)              .   26_665 ?
  O    H    H   84(8)              .   27_565 ?
  O    H    H   84(5)              .   28_665 ?
  O    H    H   90(550)            .   29_555 ?
  O    H    H   84(8)              .   30_565 ?
  O    H    H   107.0(11)          .   31_566 ?
  O    H    H   107.2(15)          .   32_666 ?
  O    H    H   123.3(12)          .   33_676 ?
  O    H    H   109.3(11)          .   34_456 ?
  O    H    H   107.9(15)          .   35_556 ?
  O    H    H   120.9(12)          .   36_566 ?
  O    H    H   107.8(11)          .   37_556 ?
  O    H    H   109.5(16)          .   38_656 ?
  O    H    H   120.8(12)          .   39_666 ?
  O    H    H   109.3(11)          .   40_456 ?
  O    H    H   107.9(15)          .   41_556 ?
  O    H    H   120.9(12)          .   42_566 ?
  O    H    H   107.0(11)          .   43_566 ?
  O    H    H   107.2(15)          .   44_666 ?
  O    H    H   123.3(12)          .   45_676 ?
  O    H    H   107.7(11)          .   46_556 ?
  O    H    H   109.5(16)          .   47_656 ?
  O    H    H   120.9(12)          .   48_666 ?
  O    H    D   127(6)         2_676    3_665 ?
  O    H    D   128(9)         2_676    4_565 ?
  O    H    D   128(6)         2_676    5_665 ?
  O    H    D   90(585)        2_676    6_555 ?
  O    H    D   128(9)         2_676    7_565 ?
  O    H    D   97.2(8)        2_676    8_566 ?
  O    H    D   97.3(12)       2_676    9_666 ?
  O    H    D   19.2(7)        2_676   10_676 ?
  O    H    D   94.1(8)        2_676   11_456 ?
  O    H    D   93.8(12)       2_676   12_556 ?
  O    H    D   21.8(7)        2_676   13_566 ?
  O    H    D   93.7(8)        2_676   14_556 ?
  O    H    D   94.1(12)       2_676   15_656 ?
  O    H    D   21.8(7)        2_676   16_666 ?
  O    H    D   94.0(8)        2_676   17_456 ?
  O    H    D   93.8(12)       2_676   18_556 ?
  O    H    D   21.8(7)        2_676   19_566 ?
  O    H    D   97.2(8)        2_676   20_566 ?
  O    H    D   97.3(12)       2_676   21_666 ?
  O    H    D   19.2(7)        2_676   22_676 ?
  O    H    D   93.8(8)        2_676   23_556 ?
  O    H    D   94.2(12)       2_676   24_656 ?
  O    H    D   21.8(7)        2_676   25_666 ?
  O    H    H   127(6)         2_676   26_665 ?
  O    H    H   128(9)         2_676   27_565 ?
  O    H    H   128(6)         2_676   28_665 ?
  O    H    H   90(585)        2_676   29_555 ?
  O    H    H   128(9)         2_676   30_565 ?
  O    H    H   97.2(8)        2_676   31_566 ?
  O    H    H   97.3(12)       2_676   32_666 ?
  O    H    H   19.2(7)        2_676   33_676 ?
  O    H    H   94.1(8)        2_676   34_456 ?
  O    H    H   93.8(12)       2_676   35_556 ?
  O    H    H   21.8(7)        2_676   36_566 ?
  O    H    H   93.7(8)        2_676   37_556 ?
  O    H    H   94.1(12)       2_676   38_656 ?
  O    H    H   21.8(7)        2_676   39_666 ?
  O    H    H   94.0(8)        2_676   40_456 ?
  O    H    H   93.8(12)       2_676   41_556 ?
  O    H    H   21.8(7)        2_676   42_566 ?
  O    H    H   97.2(8)        2_676   43_566 ?
  O    H    H   97.3(12)       2_676   44_666 ?
  O    H    H   19.2(7)        2_676   45_676 ?
  O    H    H   93.8(8)        2_676   46_556 ?
  O    H    H   94.2(12)       2_676   47_656 ?
  O    H    H   21.8(7)        2_676   48_666 ?
  D    H    D   60(13)         3_665    4_565 ?
  D    H    D   1(7)           3_665    5_665 ?
  D    H    D   59(642)        3_665    6_555 ?
  D    H    D   61(13)         3_665    7_565 ?
  D    H    D   31(7)          3_665    8_566 ?
  D    H    D   85(10)         3_665    9_666 ?
  D    H    D   141(8)         3_665   10_676 ?
  D    H    D   34(7)          3_665   11_456 ?
  D    H    D   91(10)         3_665   12_556 ?
  D    H    D   144(8)         3_665   13_566 ?
  D    H    D   36(8)          3_665   14_556 ?
  D    H    D   88(10)         3_665   15_656 ?
  D    H    D   139(8)         3_665   16_666 ?
  D    H    D   34(7)          3_665   17_456 ?
  D    H    D   91(10)         3_665   18_556 ?
  D    H    D   144(8)         3_665   19_566 ?
  D    H    D   31(7)          3_665   20_566 ?
  D    H    D   85(10)         3_665   21_666 ?
  D    H    D   141(8)         3_665   22_676 ?
  D    H    D   36(8)          3_665   23_556 ?
  D    H    D   87(10)         3_665   24_656 ?
  D    H    D   139(8)         3_665   25_666 ?
  D    H    H   60(13)         3_665   27_565 ?
  D    H    H   1(7)           3_665   28_665 ?
  D    H    H   59(642)        3_665   29_555 ?
  D    H    H   61(13)         3_665   30_565 ?
  D    H    H   31(7)          3_665   31_566 ?
  D    H    H   85(10)         3_665   32_666 ?
  D    H    H   141(8)         3_665   33_676 ?
  D    H    H   34(7)          3_665   34_456 ?
  D    H    H   91(10)         3_665   35_556 ?
  D    H    H   144(8)         3_665   36_566 ?
  D    H    H   36(8)          3_665   37_556 ?
  D    H    H   88(10)         3_665   38_656 ?
  D    H    H   139(8)         3_665   39_666 ?
  D    H    H   34(7)          3_665   40_456 ?
  D    H    H   91(10)         3_665   41_556 ?
  D    H    H   144(8)         3_665   42_566 ?
  D    H    H   31(7)          3_665   43_566 ?
  D    H    H   85(10)         3_665   44_666 ?
  D    H    H   141(8)         3_665   45_676 ?
  D    H    H   36(8)          3_665   46_556 ?
  D    H    H   87(10)         3_665   47_656 ?
  D    H    H   139(8)         3_665   48_666 ?
  D    H    D   59(13)         4_565    5_665 ?
  D    H    D   119(772)       4_565    6_555 ?
  D    H    D   1(12)          4_565    7_565 ?
  D    H    D   84(10)         4_565    8_566 ?
  D    H    D   32(11)         4_565    9_666 ?
  D    H    D   142(11)        4_565   10_676 ?
  D    H    D   86(10)         4_565   11_456 ?
  D    H    D   37(11)         4_565   12_556 ?
  D    H    D   141(10)        4_565   13_566 ?
  D    H    D   89(10)         4_565   14_556 ?
  D    H    D   36(11)         4_565   15_656 ?
  D    H    D   146(11)        4_565   16_666 ?
  D    H    D   86(10)         4_565   17_456 ?
  D    H    D   37(11)         4_565   18_556 ?
  D    H    D   141(10)        4_565   19_566 ?
  D    H    D   84(10)         4_565   20_566 ?
  D    H    D   32(11)         4_565   21_666 ?
  D    H    D   142(10)        4_565   22_676 ?
  D    H    D   89(10)         4_565   23_556 ?
  D    H    D   35(11)         4_565   24_656 ?
  D    H    D   146(11)        4_565   25_666 ?
  D    H    H   60(13)         4_565   26_665 ?
  D    H    H   59(13)         4_565   28_665 ?
  D    H    H   119(772)       4_565   29_555 ?
  D    H    H   1(12)          4_565   30_565 ?
  D    H    H   84(10)         4_565   31_566 ?
  D    H    H   32(11)         4_565   32_666 ?
  D    H    H   142(11)        4_565   33_676 ?
  D    H    H   86(10)         4_565   34_456 ?
  D    H    H   37(11)         4_565   35_556 ?
  D    H    H   141(10)        4_565   36_566 ?
  D    H    H   89(10)         4_565   37_556 ?
  D    H    H   36(11)         4_565   38_656 ?
  D    H    H   146(11)        4_565   39_666 ?
  D    H    H   86(10)         4_565   40_456 ?
  D    H    H   37(11)         4_565   41_556 ?
  D    H    H   141(10)        4_565   42_566 ?
  D    H    H   84(10)         4_565   43_566 ?
  D    H    H   32(11)         4_565   44_666 ?
  D    H    H   142(10)        4_565   45_676 ?
  D    H    H   89(10)         4_565   46_556 ?
  D    H    H   35(11)         4_565   47_656 ?
  D    H    H   146(11)        4_565   48_666 ?
  D    H    D   60(642)        5_665    6_555 ?
  D    H    D   60(13)         5_665    7_565 ?
  D    H    D   32(7)          5_665    8_566 ?
  D    H    D   84(10)         5_665    9_666 ?
  D    H    D   141(8)         5_665   10_676 ?
  D    H    D   35(7)          5_665   11_456 ?
  D    H    D   90(10)         5_665   12_556 ?
  D    H    D   145(8)         5_665   13_566 ?
  D    H    D   36(8)          5_665   14_556 ?
  D    H    D   87(10)         5_665   15_656 ?
  D    H    D   140(8)         5_665   16_666 ?
  D    H    D   35(7)          5_665   17_456 ?
  D    H    D   90(10)         5_665   18_556 ?
  D    H    D   145(8)         5_665   19_566 ?
  D    H    D   32(7)          5_665   20_566 ?
  D    H    D   84(10)         5_665   21_666 ?
  D    H    D   141(8)         5_665   22_676 ?
  D    H    D   36(8)          5_665   23_556 ?
  D    H    D   87(10)         5_665   24_656 ?
  D    H    D   140(8)         5_665   25_666 ?
  D    H    H   1(7)           5_665   26_665 ?
  D    H    H   59(13)         5_665   27_565 ?
  D    H    H   60(642)        5_665   29_555 ?
  D    H    H   60(13)         5_665   30_565 ?
  D    H    H   32(7)          5_665   31_566 ?
  D    H    H   84(10)         5_665   32_666 ?
  D    H    H   141(8)         5_665   33_676 ?
  D    H    H   35(7)          5_665   34_456 ?
  D    H    H   90(10)         5_665   35_556 ?
  D    H    H   145(8)         5_665   36_566 ?
  D    H    H   36(8)          5_665   37_556 ?
  D    H    H   87(10)         5_665   38_656 ?
  D    H    H   140(8)         5_665   39_666 ?
  D    H    H   35(7)          5_665   40_456 ?
  D    H    H   90(10)         5_665   41_556 ?
  D    H    H   145(8)         5_665   42_566 ?
  D    H    H   32(7)          5_665   43_566 ?
  D    H    H   84(10)         5_665   44_666 ?
  D    H    H   141(8)         5_665   45_676 ?
  D    H    H   36(8)          5_665   46_556 ?
  D    H    H   87(10)         5_665   47_656 ?
  D    H    H   140(8)         5_665   48_666 ?
  D    H    D   120(773)       6_555    7_565 ?
  D    H    D   41(657)        6_555    8_566 ?
  D    H    D   139(776)       6_555    9_666 ?
  D    H    D   90(663)        6_555   10_676 ?
  D    H    D   40(660)        6_555   11_456 ?
  D    H    D   144(777)       6_555   12_556 ?
  D    H    D   93(660)        6_555   13_566 ?
  D    H    D   36(670)        6_555   14_556 ?
  D    H    D   140(771)       6_555   15_656 ?
  D    H    D   87(675)        6_555   16_666 ?
  D    H    D   40(660)        6_555   17_456 ?
  D    H    D   144(777)       6_555   18_556 ?
  D    H    D   93(660)        6_555   19_566 ?
  D    H    D   41(657)        6_555   20_566 ?
  D    H    D   139(776)       6_555   21_666 ?
  D    H    D   90(663)        6_555   22_676 ?
  D    H    D   36(670)        6_555   23_556 ?
  D    H    D   140(771)       6_555   24_656 ?
  D    H    D   87(675)        6_555   25_666 ?
  D    H    H   59(642)        6_555   26_665 ?
  D    H    H   119(772)       6_555   27_565 ?
  D    H    H   60(642)        6_555   28_665 ?
  D    H    H   120(773)       6_555   30_565 ?
  D    H    H   41(657)        6_555   31_566 ?
  D    H    H   139(776)       6_555   32_666 ?
  D    H    H   90(663)        6_555   33_676 ?
  D    H    H   40(660)        6_555   34_456 ?
  D    H    H   144(777)       6_555   35_556 ?
  D    H    H   93(660)        6_555   36_566 ?
  D    H    H   36(670)        6_555   37_556 ?
  D    H    H   140(771)       6_555   38_656 ?
  D    H    H   87(675)        6_555   39_666 ?
  D    H    H   40(660)        6_555   40_456 ?
  D    H    H   144(777)       6_555   41_556 ?
  D    H    H   93(660)        6_555   42_566 ?
  D    H    H   41(657)        6_555   43_566 ?
  D    H    H   139(776)       6_555   44_666 ?
  D    H    H   90(663)        6_555   45_676 ?
  D    H    H   36(670)        6_555   46_556 ?
  D    H    H   140(771)       6_555   47_656 ?
  D    H    H   87(675)        6_555   48_666 ?
  D    H    D   84(10)         7_565    8_566 ?
  D    H    D   32(11)         7_565    9_666 ?
  D    H    D   141(11)        7_565   10_676 ?
  D    H    D   87(10)         7_565   11_456 ?
  D    H    D   36(11)         7_565   12_556 ?
  D    H    D   140(10)        7_565   13_566 ?
  D    H    D   90(10)         7_565   14_556 ?
  D    H    D   35(11)         7_565   15_656 ?
  D    H    D   145(11)        7_565   16_666 ?
  D    H    D   87(10)         7_565   17_456 ?
  D    H    D   36(11)         7_565   18_556 ?
  D    H    D   140(10)        7_565   19_566 ?
  D    H    D   84(10)         7_565   20_566 ?
  D    H    D   32(11)         7_565   21_666 ?
  D    H    D   141(11)        7_565   22_676 ?
  D    H    D   90(10)         7_565   23_556 ?
  D    H    D   35(11)         7_565   24_656 ?
  D    H    D   145(11)        7_565   25_666 ?
  D    H    H   61(13)         7_565   26_665 ?
  D    H    H   1(12)          7_565   27_565 ?
  D    H    H   60(13)         7_565   28_665 ?
  D    H    H   120(773)       7_565   29_555 ?
  D    H    H   84(10)         7_565   31_566 ?
  D    H    H   32(11)         7_565   32_666 ?
  D    H    H   141(11)        7_565   33_676 ?
  D    H    H   87(10)         7_565   34_456 ?
  D    H    H   36(11)         7_565   35_556 ?
  D    H    H   140(10)        7_565   36_566 ?
  D    H    H   90(10)         7_565   37_556 ?
  D    H    H   35(11)         7_565   38_656 ?
  D    H    H   145(11)        7_565   39_666 ?
  D    H    H   87(10)         7_565   40_456 ?
  D    H    H   36(11)         7_565   41_556 ?
  D    H    H   140(10)        7_565   42_566 ?
  D    H    H   84(10)         7_565   43_566 ?
  D    H    H   32(11)         7_565   44_666 ?
  D    H    H   141(11)        7_565   45_676 ?
  D    H    H   90(10)         7_565   46_556 ?
  D    H    H   35(11)         7_565   47_656 ?
  D    H    H   145(11)        7_565   48_666 ?
  D    H    D   97.4(16)       8_566    9_666 ?
  D    H    D   109.3(13)      8_566   10_676 ?
  D    H    D   3.2(8)         8_566   11_456 ?
  D    H    D   102.4(16)      8_566   12_556 ?
  D    H    D   113.3(12)      8_566   13_566 ?
  D    H    D   5.7(8)         8_566   14_556 ?
  D    H    D   98.8(16)       8_566   15_656 ?
  D    H    D   108.3(12)      8_566   16_666 ?
  D    H    D   3.3(8)         8_566   17_456 ?
  D    H    D   102.4(16)      8_566   18_556 ?
  D    H    D   113.3(12)      8_566   19_566 ?
  D    H    D   0.1(8)         8_566   20_566 ?
  D    H    D   97.4(16)       8_566   21_666 ?
  D    H    D   109.4(13)      8_566   22_676 ?
  D    H    D   5.7(8)         8_566   23_556 ?
  D    H    D   98.7(16)       8_566   24_656 ?
  D    H    D   108.3(12)      8_566   25_666 ?
  D    H    H   31(7)          8_566   26_665 ?
  D    H    H   84(10)         8_566   27_565 ?
  D    H    H   32(7)          8_566   28_665 ?
  D    H    H   41(657)        8_566   29_555 ?
  D    H    H   84(10)         8_566   30_565 ?
  D    H    H   97.4(16)       8_566   32_666 ?
  D    H    H   109.3(13)      8_566   33_676 ?
  D    H    H   3.2(8)         8_566   34_456 ?
  D    H    H   102.4(16)      8_566   35_556 ?
  D    H    H   113.3(12)      8_566   36_566 ?
  D    H    H   5.7(8)         8_566   37_556 ?
  D    H    H   98.8(16)       8_566   38_656 ?
  D    H    H   108.3(12)      8_566   39_666 ?
  D    H    H   3.3(8)         8_566   40_456 ?
  D    H    H   102.4(16)      8_566   41_556 ?
  D    H    H   113.3(12)      8_566   42_566 ?
  D    H    H   0.1(8)         8_566   43_566 ?
  D    H    H   97.4(16)       8_566   44_666 ?
  D    H    H   109.4(13)      8_566   45_676 ?
  D    H    H   5.7(8)         8_566   46_556 ?
  D    H    H   98.7(16)       8_566   47_656 ?
  D    H    H   108.3(12)      8_566   48_666 ?
  D    H    D   109.6(18)      9_666   10_676 ?
  D    H    D   98.6(17)       9_666   11_456 ?
  D    H    D   5.7(12)        9_666   12_556 ?
  D    H    D   108.4(17)      9_666   13_566 ?
  D    H    D   102.4(17)      9_666   14_556 ?
  D    H    D   3.3(12)        9_666   15_656 ?
  D    H    D   113.4(18)      9_666   16_666 ?
  D    H    D   98.7(17)       9_666   17_456 ?
  D    H    D   5.8(12)        9_666   18_556 ?
  D    H    D   108.4(17)      9_666   19_566 ?
  D    H    D   97.3(16)       9_666   20_566 ?
  D    H    D   0.1(12)        9_666   21_666 ?
  D    H    D   109.5(18)      9_666   22_676 ?
  D    H    D   102.3(17)      9_666   23_556 ?
  D    H    D   3.3(12)        9_666   24_656 ?
  D    H    D   113.4(18)      9_666   25_666 ?
  D    H    H   85(10)         9_666   26_665 ?
  D    H    H   32(11)         9_666   27_565 ?
  D    H    H   84(10)         9_666   28_665 ?
  D    H    H   139(776)       9_666   29_555 ?
  D    H    H   32(11)         9_666   30_565 ?
  D    H    H   97.4(16)       9_666   31_566 ?
  D    H    H   109.6(18)      9_666   33_676 ?
  D    H    H   98.6(17)       9_666   34_456 ?
  D    H    H   5.7(12)        9_666   35_556 ?
  D    H    H   108.4(17)      9_666   36_566 ?
  D    H    H   102.4(17)      9_666   37_556 ?
  D    H    H   3.3(12)        9_666   38_656 ?
  D    H    H   113.4(18)      9_666   39_666 ?
  D    H    H   98.7(17)       9_666   40_456 ?
  D    H    H   5.8(12)        9_666   41_556 ?
  D    H    H   108.4(17)      9_666   42_566 ?
  D    H    H   97.3(16)       9_666   43_566 ?
  D    H    H   0.1(12)        9_666   44_666 ?
  D    H    H   109.5(18)      9_666   45_676 ?
  D    H    H   102.3(17)      9_666   46_556 ?
  D    H    H   3.3(12)        9_666   47_656 ?
  D    H    H   113.4(18)      9_666   48_666 ?
  D    H    D   106.1(13)     10_676   11_456 ?
  D    H    D   105.0(18)     10_676   12_556 ?
  D    H    D   4.0(9)        10_676   13_566 ?
  D    H    D   104.7(13)     10_676   14_556 ?
  D    H    D   106.2(19)     10_676   15_656 ?
  D    H    D   3.9(10)       10_676   16_666 ?
  D    H    D   106.0(13)     10_676   17_456 ?
  D    H    D   104.9(18)     10_676   18_556 ?
  D    H    D   4.0(9)        10_676   19_566 ?
  D    H    D   109.4(13)     10_676   20_566 ?
  D    H    D   109.5(18)     10_676   21_666 ?
  D    H    D   0.1(10)       10_676   22_676 ?
  D    H    D   104.8(13)     10_676   23_556 ?
  D    H    D   106.3(19)     10_676   24_656 ?
  D    H    D   3.9(10)       10_676   25_666 ?
  D    H    H   141(8)        10_676   26_665 ?
  D    H    H   142(11)       10_676   27_565 ?
  D    H    H   141(8)        10_676   28_665 ?
  D    H    H   90(663)       10_676   29_555 ?
  D    H    H   141(11)       10_676   30_565 ?
  D    H    H   109.3(13)     10_676   31_566 ?
  D    H    H   109.6(18)     10_676   32_666 ?
  D    H    H   106.1(13)     10_676   34_456 ?
  D    H    H   105.0(18)     10_676   35_556 ?
  D    H    H   4.0(9)        10_676   36_566 ?
  D    H    H   104.7(13)     10_676   37_556 ?
  D    H    H   106.2(19)     10_676   38_656 ?
  D    H    H   3.9(10)       10_676   39_666 ?
  D    H    H   106.0(13)     10_676   40_456 ?
  D    H    H   104.9(18)     10_676   41_556 ?
  D    H    H   4.0(9)        10_676   42_566 ?
  D    H    H   109.4(13)     10_676   43_566 ?
  D    H    H   109.5(18)     10_676   44_666 ?
  D    H    H   0.1(10)       10_676   45_676 ?
  D    H    H   104.8(13)     10_676   46_556 ?
  D    H    H   106.3(19)     10_676   47_656 ?
  D    H    H   3.9(10)       10_676   48_666 ?
  D    H    D   103.5(17)     11_456   12_556 ?
  D    H    D   110.1(13)     11_456   13_566 ?
  D    H    D   3.8(9)        11_456   14_556 ?
  D    H    D   99.8(17)      11_456   15_656 ?
  D    H    D   105.1(13)     11_456   16_666 ?
  D    H    D   0.1(9)        11_456   17_456 ?
  D    H    D   103.5(17)     11_456   18_556 ?
  D    H    D   110.1(13)     11_456   19_566 ?
  D    H    D   3.3(8)        11_456   20_566 ?
  D    H    D   98.7(17)      11_456   21_666 ?
  D    H    D   106.2(13)     11_456   22_676 ?
  D    H    D   3.7(9)        11_456   23_556 ?
  D    H    D   99.8(17)      11_456   24_656 ?
  D    H    D   105.0(13)     11_456   25_666 ?
  D    H    H   34(7)         11_456   26_665 ?
  D    H    H   86(10)        11_456   27_565 ?
  D    H    H   35(7)         11_456   28_665 ?
  D    H    H   40(660)       11_456   29_555 ?
  D    H    H   87(10)        11_456   30_565 ?
  D    H    H   3.2(8)        11_456   31_566 ?
  D    H    H   98.6(17)      11_456   32_666 ?
  D    H    H   106.1(13)     11_456   33_676 ?
  D    H    H   103.5(17)     11_456   35_556 ?
  D    H    H   110.1(13)     11_456   36_566 ?
  D    H    H   3.8(9)        11_456   37_556 ?
  D    H    H   99.8(17)      11_456   38_656 ?
  D    H    H   105.1(13)     11_456   39_666 ?
  D    H    H   0.1(9)        11_456   40_456 ?
  D    H    H   103.5(17)     11_456   41_556 ?
  D    H    H   110.1(13)     11_456   42_566 ?
  D    H    H   3.3(8)        11_456   43_566 ?
  D    H    H   98.7(17)      11_456   44_666 ?
  D    H    H   106.2(13)     11_456   45_676 ?
  D    H    H   3.7(9)        11_456   46_556 ?
  D    H    H   99.8(17)      11_456   47_656 ?
  D    H    H   105.0(13)     11_456   48_666 ?
  D    H    D   103.6(17)     12_556   13_566 ?
  D    H    D   107.2(17)     12_556   14_556 ?
  D    H    D   3.7(12)       12_556   15_656 ?
  D    H    D   108.8(18)     12_556   16_666 ?
  D    H    D   103.6(17)     12_556   17_456 ?
  D    H    D   0.1(12)       12_556   18_556 ?
  D    H    D   103.6(17)     12_556   19_566 ?
  D    H    D   102.4(16)     12_556   20_566 ?
  D    H    D   5.7(12)       12_556   21_666 ?
  D    H    D   104.9(18)     12_556   22_676 ?
  D    H    D   107.2(17)     12_556   23_556 ?
  D    H    D   3.7(12)       12_556   24_656 ?
  D    H    D   108.9(18)     12_556   25_666 ?
  D    H    H   91(10)        12_556   26_665 ?
  D    H    H   37(11)        12_556   27_565 ?
  D    H    H   90(10)        12_556   28_665 ?
  D    H    H   144(777)      12_556   29_555 ?
  D    H    H   36(11)        12_556   30_565 ?
  D    H    H   102.4(16)     12_556   31_566 ?
  D    H    H   5.7(12)       12_556   32_666 ?
  D    H    H   105.0(18)     12_556   33_676 ?
  D    H    H   103.5(17)     12_556   34_456 ?
  D    H    H   103.6(17)     12_556   36_566 ?
  D    H    H   107.2(17)     12_556   37_556 ?
  D    H    H   3.7(12)       12_556   38_656 ?
  D    H    H   108.8(18)     12_556   39_666 ?
  D    H    H   103.6(17)     12_556   40_456 ?
  D    H    H   0.1(12)       12_556   41_556 ?
  D    H    H   103.6(17)     12_556   42_566 ?
  D    H    H   102.4(16)     12_556   43_566 ?
  D    H    H   5.7(12)       12_556   44_666 ?
  D    H    H   104.9(18)     12_556   45_676 ?
  D    H    H   107.2(17)     12_556   46_556 ?
  D    H    H   3.7(12)       12_556   47_656 ?
  D    H    H   108.9(18)     12_556   48_666 ?
  D    H    D   108.7(12)     13_566   14_556 ?
  D    H    D   105.1(18)     13_566   15_656 ?
  D    H    D   6.2(9)        13_566   16_666 ?
  D    H    D   110.0(13)     13_566   17_456 ?
  D    H    D   103.5(17)     13_566   18_556 ?
  D    H    D   0.1(9)        13_566   19_566 ?
  D    H    D   113.3(12)     13_566   20_566 ?
  D    H    D   108.4(17)     13_566   21_666 ?
  D    H    D   3.9(9)        13_566   22_676 ?
  D    H    D   108.8(12)     13_566   23_556 ?
  D    H    D   105.1(18)     13_566   24_656 ?
  D    H    D   6.3(9)        13_566   25_666 ?
  D    H    H   144(8)        13_566   26_665 ?
  D    H    H   141(10)       13_566   27_565 ?
  D    H    H   145(8)        13_566   28_665 ?
  D    H    H   93(660)       13_566   29_555 ?
  D    H    H   140(10)       13_566   30_565 ?
  D    H    H   113.3(12)     13_566   31_566 ?
  D    H    H   108.4(17)     13_566   32_666 ?
  D    H    H   4.0(9)        13_566   33_676 ?
  D    H    H   110.1(13)     13_566   34_456 ?
  D    H    H   103.6(17)     13_566   35_556 ?
  D    H    H   108.7(12)     13_566   37_556 ?
  D    H    H   105.1(18)     13_566   38_656 ?
  D    H    H   6.2(9)        13_566   39_666 ?
  D    H    H   110.0(13)     13_566   40_456 ?
  D    H    H   103.5(17)     13_566   41_556 ?
  D    H    H   0.1(9)        13_566   42_566 ?
  D    H    H   113.3(12)     13_566   43_566 ?
  D    H    H   108.4(17)     13_566   44_666 ?
  D    H    H   3.9(9)        13_566   45_676 ?
  D    H    H   108.8(12)     13_566   46_556 ?
  D    H    H   105.1(18)     13_566   47_656 ?
  D    H    H   6.3(9)        13_566   48_666 ?
  D    H    D   103.6(17)     14_556   15_656 ?
  D    H    D   103.5(12)     14_556   16_666 ?
  D    H    D   3.7(9)        14_556   17_456 ?
  D    H    D   107.3(17)     14_556   18_556 ?
  D    H    D   108.7(12)     14_556   19_566 ?
  D    H    D   5.8(8)        14_556   20_566 ?
  D    H    D   102.4(17)     14_556   21_666 ?
  D    H    D   104.8(13)     14_556   22_676 ?
  D    H    D   0.1(8)        14_556   23_556 ?
  D    H    D   103.5(17)     14_556   24_656 ?
  D    H    D   103.4(12)     14_556   25_666 ?
  D    H    H   36(8)         14_556   26_665 ?
  D    H    H   89(10)        14_556   27_565 ?
  D    H    H   36(8)         14_556   28_665 ?
  D    H    H   36(670)       14_556   29_555 ?
  D    H    H   90(10)        14_556   30_565 ?
  D    H    H   5.7(8)        14_556   31_566 ?
  D    H    H   102.4(17)     14_556   32_666 ?
  D    H    H   104.7(13)     14_556   33_676 ?
  D    H    H   3.8(9)        14_556   34_456 ?
  D    H    H   107.2(17)     14_556   35_556 ?
  D    H    H   108.7(12)     14_556   36_566 ?
  D    H    H   103.6(17)     14_556   38_656 ?
  D    H    H   103.5(12)     14_556   39_666 ?
  D    H    H   3.7(9)        14_556   40_456 ?
  D    H    H   107.3(17)     14_556   41_556 ?
  D    H    H   108.7(12)     14_556   42_566 ?
  D    H    H   5.8(8)        14_556   43_566 ?
  D    H    H   102.4(17)     14_556   44_666 ?
  D    H    H   104.8(13)     14_556   45_676 ?
  D    H    H   0.1(8)        14_556   46_556 ?
  D    H    H   103.5(17)     14_556   47_656 ?
  D    H    H   103.4(12)     14_556   48_666 ?
  D    H    D   110.1(18)     15_656   16_666 ?
  D    H    D   99.9(17)      15_656   17_456 ?
  D    H    D   3.7(12)       15_656   18_556 ?
  D    H    D   105.1(18)     15_656   19_566 ?
  D    H    D   98.7(16)      15_656   20_566 ?
  D    H    D   3.3(12)       15_656   21_666 ?
  D    H    D   106.1(19)     15_656   22_676 ?
  D    H    D   103.6(17)     15_656   23_556 ?
  D    H    D   0.1(13)       15_656   24_656 ?
  D    H    D   110.1(18)     15_656   25_666 ?
  D    H    H   88(10)        15_656   26_665 ?
  D    H    H   36(11)        15_656   27_565 ?
  D    H    H   87(10)        15_656   28_665 ?
  D    H    H   140(771)      15_656   29_555 ?
  D    H    H   35(11)        15_656   30_565 ?
  D    H    H   98.8(16)      15_656   31_566 ?
  D    H    H   3.3(12)       15_656   32_666 ?
  D    H    H   106.2(19)     15_656   33_676 ?
  D    H    H   99.8(17)      15_656   34_456 ?
  D    H    H   3.7(12)       15_656   35_556 ?
  D    H    H   105.1(18)     15_656   36_566 ?
  D    H    H   103.6(17)     15_656   37_556 ?
  D    H    H   110.1(18)     15_656   39_666 ?
  D    H    H   99.9(17)      15_656   40_456 ?
  D    H    H   3.7(12)       15_656   41_556 ?
  D    H    H   105.1(18)     15_656   42_566 ?
  D    H    H   98.7(16)      15_656   43_566 ?
  D    H    H   3.3(12)       15_656   44_666 ?
  D    H    H   106.1(19)     15_656   45_676 ?
  D    H    H   103.6(17)     15_656   46_556 ?
  D    H    H   0.1(13)       15_656   47_656 ?
  D    H    H   110.1(18)     15_656   48_666 ?
  D    H    D   105.0(13)     16_666   17_456 ?
  D    H    D   108.8(18)     16_666   18_556 ?
  D    H    D   6.2(9)        16_666   19_566 ?
  D    H    D   108.3(12)     16_666   20_566 ?
  D    H    D   113.4(18)     16_666   21_666 ?
  D    H    D   4.0(10)       16_666   22_676 ?
  D    H    D   103.5(12)     16_666   23_556 ?
  D    H    D   110.2(18)     16_666   24_656 ?
  D    H    D   0.1(9)        16_666   25_666 ?
  D    H    H   139(8)        16_666   26_665 ?
  D    H    H   146(11)       16_666   27_565 ?
  D    H    H   140(8)        16_666   28_665 ?
  D    H    H   87(675)       16_666   29_555 ?
  D    H    H   145(11)       16_666   30_565 ?
  D    H    H   108.3(12)     16_666   31_566 ?
  D    H    H   113.4(18)     16_666   32_666 ?
  D    H    H   3.9(10)       16_666   33_676 ?
  D    H    H   105.1(13)     16_666   34_456 ?
  D    H    H   108.8(18)     16_666   35_556 ?
  D    H    H   6.2(9)        16_666   36_566 ?
  D    H    H   103.5(12)     16_666   37_556 ?
  D    H    H   110.1(18)     16_666   38_656 ?
  D    H    H   105.0(13)     16_666   40_456 ?
  D    H    H   108.8(18)     16_666   41_556 ?
  D    H    H   6.2(9)        16_666   42_566 ?
  D    H    H   108.3(12)     16_666   43_566 ?
  D    H    H   113.4(18)     16_666   44_666 ?
  D    H    H   4.0(10)       16_666   45_676 ?
  D    H    H   103.5(12)     16_666   46_556 ?
  D    H    H   110.2(18)     16_666   47_656 ?
  D    H    H   0.1(9)        16_666   48_666 ?
  D    H    D   103.6(17)     17_456   18_556 ?
  D    H    D   110.0(13)     17_456   19_566 ?
  D    H    D   3.3(8)        17_456   20_566 ?
  D    H    D   98.8(17)      17_456   21_666 ?
  D    H    D   106.1(13)     17_456   22_676 ?
  D    H    D   3.7(9)        17_456   23_556 ?
  D    H    D   99.8(17)      17_456   24_656 ?
  D    H    D   105.0(13)     17_456   25_666 ?
  D    H    H   34(7)         17_456   26_665 ?
  D    H    H   86(10)        17_456   27_565 ?
  D    H    H   35(7)         17_456   28_665 ?
  D    H    H   40(660)       17_456   29_555 ?
  D    H    H   87(10)        17_456   30_565 ?
  D    H    H   3.3(8)        17_456   31_566 ?
  D    H    H   98.7(17)      17_456   32_666 ?
  D    H    H   106.0(13)     17_456   33_676 ?
  D    H    H   0.1(9)        17_456   34_456 ?
  D    H    H   103.6(17)     17_456   35_556 ?
  D    H    H   110.0(13)     17_456   36_566 ?
  D    H    H   3.7(9)        17_456   37_556 ?
  D    H    H   99.9(17)      17_456   38_656 ?
  D    H    H   105.0(13)     17_456   39_666 ?
  D    H    H   103.6(17)     17_456   41_556 ?
  D    H    H   110.0(13)     17_456   42_566 ?
  D    H    H   3.3(8)        17_456   43_566 ?
  D    H    H   98.8(17)      17_456   44_666 ?
  D    H    H   106.1(13)     17_456   45_676 ?
  D    H    H   3.7(9)        17_456   46_556 ?
  D    H    H   99.8(17)      17_456   47_656 ?
  D    H    H   105.0(13)     17_456   48_666 ?
  D    H    D   103.6(17)     18_556   19_566 ?
  D    H    D   102.4(16)     18_556   20_566 ?
  D    H    D   5.7(12)       18_556   21_666 ?
  D    H    D   104.8(18)     18_556   22_676 ?
  D    H    D   107.2(17)     18_556   23_556 ?
  D    H    D   3.8(12)       18_556   24_656 ?
  D    H    D   108.8(18)     18_556   25_666 ?
  D    H    H   91(10)        18_556   26_665 ?
  D    H    H   37(11)        18_556   27_565 ?
  D    H    H   90(10)        18_556   28_665 ?
  D    H    H   144(777)      18_556   29_555 ?
  D    H    H   36(11)        18_556   30_565 ?
  D    H    H   102.4(16)     18_556   31_566 ?
  D    H    H   5.8(12)       18_556   32_666 ?
  D    H    H   104.9(18)     18_556   33_676 ?
  D    H    H   103.5(17)     18_556   34_456 ?
  D    H    H   0.1(12)       18_556   35_556 ?
  D    H    H   103.5(17)     18_556   36_566 ?
  D    H    H   107.3(17)     18_556   37_556 ?
  D    H    H   3.7(12)       18_556   38_656 ?
  D    H    H   108.8(18)     18_556   39_666 ?
  D    H    H   103.6(17)     18_556   40_456 ?
  D    H    H   103.6(17)     18_556   42_566 ?
  D    H    H   102.4(16)     18_556   43_566 ?
  D    H    H   5.7(12)       18_556   44_666 ?
  D    H    H   104.8(18)     18_556   45_676 ?
  D    H    H   107.2(17)     18_556   46_556 ?
  D    H    H   3.8(12)       18_556   47_656 ?
  D    H    H   108.8(18)     18_556   48_666 ?
  D    H    D   113.3(12)     19_566   20_566 ?
  D    H    D   108.4(17)     19_566   21_666 ?
  D    H    D   3.9(9)        19_566   22_676 ?
  D    H    D   108.7(12)     19_566   23_556 ?
  D    H    D   105.2(18)     19_566   24_656 ?
  D    H    D   6.2(9)        19_566   25_666 ?
  D    H    H   144(8)        19_566   26_665 ?
  D    H    H   141(10)       19_566   27_565 ?
  D    H    H   145(8)        19_566   28_665 ?
  D    H    H   93(660)       19_566   29_555 ?
  D    H    H   140(10)       19_566   30_565 ?
  D    H    H   113.3(12)     19_566   31_566 ?
  D    H    H   108.4(17)     19_566   32_666 ?
  D    H    H   4.0(9)        19_566   33_676 ?
  D    H    H   110.1(13)     19_566   34_456 ?
  D    H    H   103.6(17)     19_566   35_556 ?
  D    H    H   0.1(9)        19_566   36_566 ?
  D    H    H   108.7(12)     19_566   37_556 ?
  D    H    H   105.1(18)     19_566   38_656 ?
  D    H    H   6.2(9)        19_566   39_666 ?
  D    H    H   110.0(13)     19_566   40_456 ?
  D    H    H   103.6(17)     19_566   41_556 ?
  D    H    H   113.3(12)     19_566   43_566 ?
  D    H    H   108.4(17)     19_566   44_666 ?
  D    H    H   3.9(9)        19_566   45_676 ?
  D    H    H   108.7(12)     19_566   46_556 ?
  D    H    H   105.2(18)     19_566   47_656 ?
  D    H    H   6.2(9)        19_566   48_666 ?
  D    H    D   97.4(16)      20_566   21_666 ?
  D    H    D   109.4(13)     20_566   22_676 ?
  D    H    D   5.7(8)        20_566   23_556 ?
  D    H    D   98.6(16)      20_566   24_656 ?
  D    H    D   108.3(12)     20_566   25_666 ?
  D    H    H   31(7)         20_566   26_665 ?
  D    H    H   84(10)        20_566   27_565 ?
  D    H    H   32(7)         20_566   28_665 ?
  D    H    H   41(657)       20_566   29_555 ?
  D    H    H   84(10)        20_566   30_565 ?
  D    H    H   0.1(8)        20_566   31_566 ?
  D    H    H   97.3(16)      20_566   32_666 ?
  D    H    H   109.4(13)     20_566   33_676 ?
  D    H    H   3.3(8)        20_566   34_456 ?
  D    H    H   102.4(16)     20_566   35_556 ?
  D    H    H   113.3(12)     20_566   36_566 ?
  D    H    H   5.8(8)        20_566   37_556 ?
  D    H    H   98.7(16)      20_566   38_656 ?
  D    H    H   108.3(12)     20_566   39_666 ?
  D    H    H   3.3(8)        20_566   40_456 ?
  D    H    H   102.4(16)     20_566   41_556 ?
  D    H    H   113.3(12)     20_566   42_566 ?
  D    H    H   97.4(16)      20_566   44_666 ?
  D    H    H   109.4(13)     20_566   45_676 ?
  D    H    H   5.7(8)        20_566   46_556 ?
  D    H    H   98.6(16)      20_566   47_656 ?
  D    H    H   108.3(12)     20_566   48_666 ?
  D    H    D   109.4(18)     21_666   22_676 ?
  D    H    D   102.4(17)     21_666   23_556 ?
  D    H    D   3.2(12)       21_666   24_656 ?
  D    H    D   113.4(18)     21_666   25_666 ?
  D    H    H   85(10)        21_666   26_665 ?
  D    H    H   32(11)        21_666   27_565 ?
  D    H    H   84(10)        21_666   28_665 ?
  D    H    H   139(776)      21_666   29_555 ?
  D    H    H   32(11)        21_666   30_565 ?
  D    H    H   97.4(16)      21_666   31_566 ?
  D    H    H   0.1(12)       21_666   32_666 ?
  D    H    H   109.5(18)     21_666   33_676 ?
  D    H    H   98.7(17)      21_666   34_456 ?
  D    H    H   5.7(12)       21_666   35_556 ?
  D    H    H   108.4(17)     21_666   36_566 ?
  D    H    H   102.4(17)     21_666   37_556 ?
  D    H    H   3.3(12)       21_666   38_656 ?
  D    H    H   113.4(18)     21_666   39_666 ?
  D    H    H   98.8(17)      21_666   40_456 ?
  D    H    H   5.7(12)       21_666   41_556 ?
  D    H    H   108.4(17)     21_666   42_566 ?
  D    H    H   97.4(16)      21_666   43_566 ?
  D    H    H   109.4(18)     21_666   45_676 ?
  D    H    H   102.4(17)     21_666   46_556 ?
  D    H    H   3.2(12)       21_666   47_656 ?
  D    H    H   113.4(18)     21_666   48_666 ?
  D    H    D   104.9(13)     22_676   23_556 ?
  D    H    D   106.2(19)     22_676   24_656 ?
  D    H    D   4.0(10)       22_676   25_666 ?
  D    H    H   141(8)        22_676   26_665 ?
  D    H    H   142(10)       22_676   27_565 ?
  D    H    H   141(8)        22_676   28_665 ?
  D    H    H   90(663)       22_676   29_555 ?
  D    H    H   141(11)       22_676   30_565 ?
  D    H    H   109.4(13)     22_676   31_566 ?
  D    H    H   109.5(18)     22_676   32_666 ?
  D    H    H   0.1(10)       22_676   33_676 ?
  D    H    H   106.2(13)     22_676   34_456 ?
  D    H    H   104.9(18)     22_676   35_556 ?
  D    H    H   3.9(9)        22_676   36_566 ?
  D    H    H   104.8(13)     22_676   37_556 ?
  D    H    H   106.1(19)     22_676   38_656 ?
  D    H    H   4.0(10)       22_676   39_666 ?
  D    H    H   106.1(13)     22_676   40_456 ?
  D    H    H   104.8(18)     22_676   41_556 ?
  D    H    H   3.9(9)        22_676   42_566 ?
  D    H    H   109.4(13)     22_676   43_566 ?
  D    H    H   109.4(18)     22_676   44_666 ?
  D    H    H   104.9(13)     22_676   46_556 ?
  D    H    H   106.2(19)     22_676   47_656 ?
  D    H    H   4.0(10)       22_676   48_666 ?
  D    H    D   103.5(17)     23_556   24_656 ?
  D    H    D   103.5(12)     23_556   25_666 ?
  D    H    H   36(8)         23_556   26_665 ?
  D    H    H   89(10)        23_556   27_565 ?
  D    H    H   36(8)         23_556   28_665 ?
  D    H    H   36(670)       23_556   29_555 ?
  D    H    H   90(10)        23_556   30_565 ?
  D    H    H   5.7(8)        23_556   31_566 ?
  D    H    H   102.3(17)     23_556   32_666 ?
  D    H    H   104.8(13)     23_556   33_676 ?
  D    H    H   3.7(9)        23_556   34_456 ?
  D    H    H   107.2(17)     23_556   35_556 ?
  D    H    H   108.8(12)     23_556   36_566 ?
  D    H    H   0.1(8)        23_556   37_556 ?
  D    H    H   103.6(17)     23_556   38_656 ?
  D    H    H   103.5(12)     23_556   39_666 ?
  D    H    H   3.7(9)        23_556   40_456 ?
  D    H    H   107.2(17)     23_556   41_556 ?
  D    H    H   108.7(12)     23_556   42_566 ?
  D    H    H   5.7(8)        23_556   43_566 ?
  D    H    H   102.4(17)     23_556   44_666 ?
  D    H    H   104.9(13)     23_556   45_676 ?
  D    H    H   103.5(17)     23_556   47_656 ?
  D    H    H   103.5(12)     23_556   48_666 ?
  D    H    D   110.2(18)     24_656   25_666 ?
  D    H    H   87(10)        24_656   26_665 ?
  D    H    H   35(11)        24_656   27_565 ?
  D    H    H   87(10)        24_656   28_665 ?
  D    H    H   140(771)      24_656   29_555 ?
  D    H    H   35(11)        24_656   30_565 ?
  D    H    H   98.7(16)      24_656   31_566 ?
  D    H    H   3.3(12)       24_656   32_666 ?
  D    H    H   106.3(19)     24_656   33_676 ?
  D    H    H   99.8(17)      24_656   34_456 ?
  D    H    H   3.7(12)       24_656   35_556 ?
  D    H    H   105.1(18)     24_656   36_566 ?
  D    H    H   103.5(17)     24_656   37_556 ?
  D    H    H   0.1(13)       24_656   38_656 ?
  D    H    H   110.2(18)     24_656   39_666 ?
  D    H    H   99.8(17)      24_656   40_456 ?
  D    H    H   3.8(12)       24_656   41_556 ?
  D    H    H   105.2(18)     24_656   42_566 ?
  D    H    H   98.6(16)      24_656   43_566 ?
  D    H    H   3.2(12)       24_656   44_666 ?
  D    H    H   106.2(19)     24_656   45_676 ?
  D    H    H   103.5(17)     24_656   46_556 ?
  D    H    H   110.2(18)     24_656   48_666 ?
  D    H    H   139(8)        25_666   26_665 ?
  D    H    H   146(11)       25_666   27_565 ?
  D    H    H   140(8)        25_666   28_665 ?
  D    H    H   87(675)       25_666   29_555 ?
  D    H    H   145(11)       25_666   30_565 ?
  D    H    H   108.3(12)     25_666   31_566 ?
  D    H    H   113.4(18)     25_666   32_666 ?
  D    H    H   3.9(10)       25_666   33_676 ?
  D    H    H   105.0(13)     25_666   34_456 ?
  D    H    H   108.9(18)     25_666   35_556 ?
  D    H    H   6.3(9)        25_666   36_566 ?
  D    H    H   103.4(12)     25_666   37_556 ?
  D    H    H   110.1(18)     25_666   38_656 ?
  D    H    H   0.1(9)        25_666   39_666 ?
  D    H    H   105.0(13)     25_666   40_456 ?
  D    H    H   108.8(18)     25_666   41_556 ?
  D    H    H   6.2(9)        25_666   42_566 ?
  D    H    H   108.3(12)     25_666   43_566 ?
  D    H    H   113.4(18)     25_666   44_666 ?
  D    H    H   4.0(10)       25_666   45_676 ?
  D    H    H   103.5(12)     25_666   46_556 ?
  D    H    H   110.2(18)     25_666   47_656 ?
  H    H    H   60(13)        26_665   27_565 ?
  H    H    H   1(7)          26_665   28_665 ?
  H    H    H   59(642)       26_665   29_555 ?
  H    H    H   61(13)        26_665   30_565 ?
  H    H    H   31(7)         26_665   31_566 ?
  H    H    H   85(10)        26_665   32_666 ?
  H    H    H   141(8)        26_665   33_676 ?
  H    H    H   34(7)         26_665   34_456 ?
  H    H    H   91(10)        26_665   35_556 ?
  H    H    H   144(8)        26_665   36_566 ?
  H    H    H   36(8)         26_665   37_556 ?
  H    H    H   88(10)        26_665   38_656 ?
  H    H    H   139(8)        26_665   39_666 ?
  H    H    H   34(7)         26_665   40_456 ?
  H    H    H   91(10)        26_665   41_556 ?
  H    H    H   144(8)        26_665   42_566 ?
  H    H    H   31(7)         26_665   43_566 ?
  H    H    H   85(10)        26_665   44_666 ?
  H    H    H   141(8)        26_665   45_676 ?
  H    H    H   36(8)         26_665   46_556 ?
  H    H    H   87(10)        26_665   47_656 ?
  H    H    H   139(8)        26_665   48_666 ?
  H    H    H   59(13)        27_565   28_665 ?
  H    H    H   119(772)      27_565   29_555 ?
  H    H    H   1(12)         27_565   30_565 ?
  H    H    H   84(10)        27_565   31_566 ?
  H    H    H   32(11)        27_565   32_666 ?
  H    H    H   142(11)       27_565   33_676 ?
  H    H    H   86(10)        27_565   34_456 ?
  H    H    H   37(11)        27_565   35_556 ?
  H    H    H   141(10)       27_565   36_566 ?
  H    H    H   89(10)        27_565   37_556 ?
  H    H    H   36(11)        27_565   38_656 ?
  H    H    H   146(11)       27_565   39_666 ?
  H    H    H   86(10)        27_565   40_456 ?
  H    H    H   37(11)        27_565   41_556 ?
  H    H    H   141(10)       27_565   42_566 ?
  H    H    H   84(10)        27_565   43_566 ?
  H    H    H   32(11)        27_565   44_666 ?
  H    H    H   142(10)       27_565   45_676 ?
  H    H    H   89(10)        27_565   46_556 ?
  H    H    H   35(11)        27_565   47_656 ?
  H    H    H   146(11)       27_565   48_666 ?
  H    H    H   60(642)       28_665   29_555 ?
  H    H    H   60(13)        28_665   30_565 ?
  H    H    H   32(7)         28_665   31_566 ?
  H    H    H   84(10)        28_665   32_666 ?
  H    H    H   141(8)        28_665   33_676 ?
  H    H    H   35(7)         28_665   34_456 ?
  H    H    H   90(10)        28_665   35_556 ?
  H    H    H   145(8)        28_665   36_566 ?
  H    H    H   36(8)         28_665   37_556 ?
  H    H    H   87(10)        28_665   38_656 ?
  H    H    H   140(8)        28_665   39_666 ?
  H    H    H   35(7)         28_665   40_456 ?
  H    H    H   90(10)        28_665   41_556 ?
  H    H    H   145(8)        28_665   42_566 ?
  H    H    H   32(7)         28_665   43_566 ?
  H    H    H   84(10)        28_665   44_666 ?
  H    H    H   141(8)        28_665   45_676 ?
  H    H    H   36(8)         28_665   46_556 ?
  H    H    H   87(10)        28_665   47_656 ?
  H    H    H   140(8)        28_665   48_666 ?
  H    H    H   120(773)      29_555   30_565 ?
  H    H    H   41(657)       29_555   31_566 ?
  H    H    H   139(776)      29_555   32_666 ?
  H    H    H   90(663)       29_555   33_676 ?
  H    H    H   40(660)       29_555   34_456 ?
  H    H    H   144(777)      29_555   35_556 ?
  H    H    H   93(660)       29_555   36_566 ?
  H    H    H   36(670)       29_555   37_556 ?
  H    H    H   140(771)      29_555   38_656 ?
  H    H    H   87(675)       29_555   39_666 ?
  H    H    H   40(660)       29_555   40_456 ?
  H    H    H   144(777)      29_555   41_556 ?
  H    H    H   93(660)       29_555   42_566 ?
  H    H    H   41(657)       29_555   43_566 ?
  H    H    H   139(776)      29_555   44_666 ?
  H    H    H   90(663)       29_555   45_676 ?
  H    H    H   36(670)       29_555   46_556 ?
  H    H    H   140(771)      29_555   47_656 ?
  H    H    H   87(675)       29_555   48_666 ?
  H    H    H   84(10)        30_565   31_566 ?
  H    H    H   32(11)        30_565   32_666 ?
  H    H    H   141(11)       30_565   33_676 ?
  H    H    H   87(10)        30_565   34_456 ?
  H    H    H   36(11)        30_565   35_556 ?
  H    H    H   140(10)       30_565   36_566 ?
  H    H    H   90(10)        30_565   37_556 ?
  H    H    H   35(11)        30_565   38_656 ?
  H    H    H   145(11)       30_565   39_666 ?
  H    H    H   87(10)        30_565   40_456 ?
  H    H    H   36(11)        30_565   41_556 ?
  H    H    H   140(10)       30_565   42_566 ?
  H    H    H   84(10)        30_565   43_566 ?
  H    H    H   32(11)        30_565   44_666 ?
  H    H    H   141(11)       30_565   45_676 ?
  H    H    H   90(10)        30_565   46_556 ?
  H    H    H   35(11)        30_565   47_656 ?
  H    H    H   145(11)       30_565   48_666 ?
  H    H    H   97.4(16)      31_566   32_666 ?
  H    H    H   109.3(13)     31_566   33_676 ?
  H    H    H   3.2(8)        31_566   34_456 ?
  H    H    H   102.4(16)     31_566   35_556 ?
  H    H    H   113.3(12)     31_566   36_566 ?
  H    H    H   5.7(8)        31_566   37_556 ?
  H    H    H   98.8(16)      31_566   38_656 ?
  H    H    H   108.3(12)     31_566   39_666 ?
  H    H    H   3.3(8)        31_566   40_456 ?
  H    H    H   102.4(16)     31_566   41_556 ?
  H    H    H   113.3(12)     31_566   42_566 ?
  H    H    H   0.1(8)        31_566   43_566 ?
  H    H    H   97.4(16)      31_566   44_666 ?
  H    H    H   109.4(13)     31_566   45_676 ?
  H    H    H   5.7(8)        31_566   46_556 ?
  H    H    H   98.7(16)      31_566   47_656 ?
  H    H    H   108.3(12)     31_566   48_666 ?
  H    H    H   109.6(18)     32_666   33_676 ?
  H    H    H   98.6(17)      32_666   34_456 ?
  H    H    H   5.7(12)       32_666   35_556 ?
  H    H    H   108.4(17)     32_666   36_566 ?
  H    H    H   102.4(17)     32_666   37_556 ?
  H    H    H   3.3(12)       32_666   38_656 ?
  H    H    H   113.4(18)     32_666   39_666 ?
  H    H    H   98.7(17)      32_666   40_456 ?
  H    H    H   5.8(12)       32_666   41_556 ?
  H    H    H   108.4(17)     32_666   42_566 ?
  H    H    H   97.3(16)      32_666   43_566 ?
  H    H    H   0.1(12)       32_666   44_666 ?
  H    H    H   109.5(18)     32_666   45_676 ?
  H    H    H   102.3(17)     32_666   46_556 ?
  H    H    H   3.3(12)       32_666   47_656 ?
  H    H    H   113.4(18)     32_666   48_666 ?
  H    H    H   106.1(13)     33_676   34_456 ?
  H    H    H   105.0(18)     33_676   35_556 ?
  H    H    H   4.0(9)        33_676   36_566 ?
  H    H    H   104.7(13)     33_676   37_556 ?
  H    H    H   106.2(19)     33_676   38_656 ?
  H    H    H   3.9(10)       33_676   39_666 ?
  H    H    H   106.0(13)     33_676   40_456 ?
  H    H    H   104.9(18)     33_676   41_556 ?
  H    H    H   4.0(9)        33_676   42_566 ?
  H    H    H   109.4(13)     33_676   43_566 ?
  H    H    H   109.5(18)     33_676   44_666 ?
  H    H    H   0.1(10)       33_676   45_676 ?
  H    H    H   104.8(13)     33_676   46_556 ?
  H    H    H   106.3(19)     33_676   47_656 ?
  H    H    H   3.9(10)       33_676   48_666 ?
  H    H    H   103.5(17)     34_456   35_556 ?
  H    H    H   110.1(13)     34_456   36_566 ?
  H    H    H   3.8(9)        34_456   37_556 ?
  H    H    H   99.8(17)      34_456   38_656 ?
  H    H    H   105.1(13)     34_456   39_666 ?
  H    H    H   0.1(9)        34_456   40_456 ?
  H    H    H   103.5(17)     34_456   41_556 ?
  H    H    H   110.1(13)     34_456   42_566 ?
  H    H    H   3.3(8)        34_456   43_566 ?
  H    H    H   98.7(17)      34_456   44_666 ?
  H    H    H   106.2(13)     34_456   45_676 ?
  H    H    H   3.7(9)        34_456   46_556 ?
  H    H    H   99.8(17)      34_456   47_656 ?
  H    H    H   105.0(13)     34_456   48_666 ?
  H    H    H   103.6(17)     35_556   36_566 ?
  H    H    H   107.2(17)     35_556   37_556 ?
  H    H    H   3.7(12)       35_556   38_656 ?
  H    H    H   108.8(18)     35_556   39_666 ?
  H    H    H   103.6(17)     35_556   40_456 ?
  H    H    H   0.1(12)       35_556   41_556 ?
  H    H    H   103.6(17)     35_556   42_566 ?
  H    H    H   102.4(16)     35_556   43_566 ?
  H    H    H   5.7(12)       35_556   44_666 ?
  H    H    H   104.9(18)     35_556   45_676 ?
  H    H    H   107.2(17)     35_556   46_556 ?
  H    H    H   3.7(12)       35_556   47_656 ?
  H    H    H   108.9(18)     35_556   48_666 ?
  H    H    H   108.7(12)     36_566   37_556 ?
  H    H    H   105.1(18)     36_566   38_656 ?
  H    H    H   6.2(9)        36_566   39_666 ?
  H    H    H   110.0(13)     36_566   40_456 ?
  H    H    H   103.5(17)     36_566   41_556 ?
  H    H    H   0.1(9)        36_566   42_566 ?
  H    H    H   113.3(12)     36_566   43_566 ?
  H    H    H   108.4(17)     36_566   44_666 ?
  H    H    H   3.9(9)        36_566   45_676 ?
  H    H    H   108.8(12)     36_566   46_556 ?
  H    H    H   105.1(18)     36_566   47_656 ?
  H    H    H   6.3(9)        36_566   48_666 ?
  H    H    H   103.6(17)     37_556   38_656 ?
  H    H    H   103.5(12)     37_556   39_666 ?
  H    H    H   3.7(9)        37_556   40_456 ?
  H    H    H   107.3(17)     37_556   41_556 ?
  H    H    H   108.7(12)     37_556   42_566 ?
  H    H    H   5.8(8)        37_556   43_566 ?
  H    H    H   102.4(17)     37_556   44_666 ?
  H    H    H   104.8(13)     37_556   45_676 ?
  H    H    H   0.1(8)        37_556   46_556 ?
  H    H    H   103.5(17)     37_556   47_656 ?
  H    H    H   103.4(12)     37_556   48_666 ?
  H    H    H   110.1(18)     38_656   39_666 ?
  H    H    H   99.9(17)      38_656   40_456 ?
  H    H    H   3.7(12)       38_656   41_556 ?
  H    H    H   105.1(18)     38_656   42_566 ?
  H    H    H   98.7(16)      38_656   43_566 ?
  H    H    H   3.3(12)       38_656   44_666 ?
  H    H    H   106.1(19)     38_656   45_676 ?
  H    H    H   103.6(17)     38_656   46_556 ?
  H    H    H   0.1(13)       38_656   47_656 ?
  H    H    H   110.1(18)     38_656   48_666 ?
  H    H    H   105.0(13)     39_666   40_456 ?
  H    H    H   108.8(18)     39_666   41_556 ?
  H    H    H   6.2(9)        39_666   42_566 ?
  H    H    H   108.3(12)     39_666   43_566 ?
  H    H    H   113.4(18)     39_666   44_666 ?
  H    H    H   4.0(10)       39_666   45_676 ?
  H    H    H   103.5(12)     39_666   46_556 ?
  H    H    H   110.2(18)     39_666   47_656 ?
  H    H    H   0.1(9)        39_666   48_666 ?
  H    H    H   103.6(17)     40_456   41_556 ?
  H    H    H   110.0(13)     40_456   42_566 ?
  H    H    H   3.3(8)        40_456   43_566 ?
  H    H    H   98.8(17)      40_456   44_666 ?
  H    H    H   106.1(13)     40_456   45_676 ?
  H    H    H   3.7(9)        40_456   46_556 ?
  H    H    H   99.8(17)      40_456   47_656 ?
  H    H    H   105.0(13)     40_456   48_666 ?
  H    H    H   103.6(17)     41_556   42_566 ?
  H    H    H   102.4(16)     41_556   43_566 ?
  H    H    H   5.7(12)       41_556   44_666 ?
  H    H    H   104.8(18)     41_556   45_676 ?
  H    H    H   107.2(17)     41_556   46_556 ?
  H    H    H   3.8(12)       41_556   47_656 ?
  H    H    H   108.8(18)     41_556   48_666 ?
  H    H    H   113.3(12)     42_566   43_566 ?
  H    H    H   108.4(17)     42_566   44_666 ?
  H    H    H   3.9(9)        42_566   45_676 ?
  H    H    H   108.7(12)     42_566   46_556 ?
  H    H    H   105.2(18)     42_566   47_656 ?
  H    H    H   6.2(9)        42_566   48_666 ?
  H    H    H   97.4(16)      43_566   44_666 ?
  H    H    H   109.4(13)     43_566   45_676 ?
  H    H    H   5.7(8)        43_566   46_556 ?
  H    H    H   98.6(16)      43_566   47_656 ?
  H    H    H   108.3(12)     43_566   48_666 ?
  H    H    H   109.4(18)     44_666   45_676 ?
  H    H    H   102.4(17)     44_666   46_556 ?
  H    H    H   3.2(12)       44_666   47_656 ?
  H    H    H   113.4(18)     44_666   48_666 ?
  H    H    H   104.9(13)     45_676   46_556 ?
  H    H    H   106.2(19)     45_676   47_656 ?
  H    H    H   4.0(10)       45_676   48_666 ?
  H    H    H   103.5(17)     46_556   47_656 ?
  H    H    H   103.5(12)     46_556   48_666 ?
  H    H    H   110.2(18)     47_656   48_666 ?
 
#=============================================================================
 
#=============================================================================
# Additional structures (last six sections and associated data_? identifiers) 
# may be added at this point.                                                 
#=============================================================================
 
data_Mg(OH)2                       
 
#=============================================================================
 
# 5. CHEMICAL DATA
 
_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_iupac           ?
_chemical_formula_sum             ?
_chemical_formula_weight          ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and 
                                          # natural products
 
loop_
    _atom_type_symbol               
    _atom_type_scat_Cromer_Mann_a1 
    _atom_type_scat_Cromer_Mann_b1 
    _atom_type_scat_Cromer_Mann_a2 
    _atom_type_scat_Cromer_Mann_b2 
    _atom_type_scat_Cromer_Mann_a3 
    _atom_type_scat_Cromer_Mann_b3 
    _atom_type_scat_Cromer_Mann_a4 
    _atom_type_scat_Cromer_Mann_b4 
    _atom_type_scat_Cromer_Mann_c 
    _atom_type_scat_dispersion_real 
    _atom_type_scat_dispersion_imag 
    _atom_type_scat_source          
 
#=============================================================================
 
# 6. POWDER SPECIMEN AND CRYSTAL DATA
 
_symmetry_cell_setting                Trigonal
_symmetry_space_group_name_H-M       'P -3 m 1'
_symmetry_space_group_name_Hall      '-P 3 2"'
 
loop_
    _symmetry_equiv_pos_as_xyz   #<--must include 'x,y,z'
'x,y,z'
'-y,x-y,z'
'y,x,-z'
'-x+y,-x,z'
'-x,-x+y,-z'
'x-y,-y,-z'
'-x,-y,-z'
'y,-x+y,-z'
'-y,-x,z'
'x-y,x,-z'
'x,x-y,z'
'-x+y,y,z'
 
_cell_length_a                       3.1420(2)
_cell_length_b                       3.1420(2)
_cell_length_c                       4.7465(6)
_cell_angle_alpha                    90.00000
_cell_angle_beta                     90.00000
_cell_angle_gamma                    120.00000
_cell_volume                         0.00000
_cell_formula_units_Z                1
_cell_measurement_temperature        ?
_cell_special_details
; ?
;
# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.
 
_pd_spec_size_axial               ?       # perpendicular to 
                                          # equatorial plane
_pd_spec_size_equat               ?       # parallel to 
                                          # scattering vector
                                          # in transmission
_pd_spec_size_thick               ?       # parallel to 
                                          # scattering vector
                                          # in reflection
 
# The next five fields are character fields that describe the specimen.
 
_pd_spec_mounting                         # This field should be
                                          # used to give details of the 
                                          # container.
; ?
;
_pd_spec_mount_mode               ?       # options are 'reflection'
                                          # or 'transmission'
_pd_spec_shape                    ?       # options are 'cylinder' 
                                          # 'flat_sheet' or 'irregular'
_pd_char_particle_morphology      ?
_pd_char_colour                   ?       # use ICDD colour descriptions
 
# The following three fields describe the preparation of the specimen.
# The cooling rate is in K/min.  The pressure at which the sample was 
# prepared is in kPa.  The temperature of preparation is in K.        
 
_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              ?
 
# The next four fields are normally only needed for transmission experiments.
 
_exptl_absorpt_coefficient_mu        ?
_exptl_absorpt_correction_type       ?
_exptl_absorpt_process_details       ?
_exptl_absorpt_correction_T_min      ?
_exptl_absorpt_correction_T_max      ?
 
#=============================================================================
 
# 7. EXPERIMENTAL DATA
 
_exptl_special_details
; ?
;
 
# The following item is used to identify the equipment used to record 
# the powder pattern when the diffractogram was measured at a laboratory 
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.
 
_pd_instr_location		     'Oak Ridge National Laboratory'
;
_pd_calibration_special_details      'Si standard'   # description of the method used
                                          # to calibrate the instrument
;
 
_diffrn_ambient_temperature          '295K'
_diffrn_source                       'nuclear reactor' 
_diffrn_radiation_type               'Constant Wavelength Neutron Diffraction' 
_diffrn_radiation_wavelength         1.11760
_diffrn_source_type                  'ORNL HFIR HB-2A'
 
_diffrn_radiation_monochromator      'Ge'
_diffrn_measurement_device_type      'neutron powder diffractometer'
_diffrn_measurement_method           'Debye Scherrer'
_diffrn_detector_area_resol_mean     ?   # Not in version 2.0.1
_diffrn_detector                     '44 He-3 tube'
_diffrn_detector_type                '44 He-3 tube'
_pd_meas_scan_method                 'step'   # options are 'step', 'cont',
                                         # 'tof', 'fixed' or
                                         # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;
 
#  The following four items give details of the measured (not processed)
#  powder pattern.  Angles are in degrees.
 
_pd_meas_number_of_points         1808
_pd_meas_2theta_range_min         10.50000
_pd_meas_2theta_range_max         131.91901
_pd_meas_2theta_range_inc         0.067230
 
#=============================================================================
 
# 8. REFINEMENT DATA
 
_refine_special_details
; ?
;
 
# Use the next field to give any special details about the fitting of the
# powder pattern.
 
_pd_proc_ls_special_details
; ?
;
 
# The next three items are given as text.
 
_pd_proc_ls_profile_function      ?
_pd_proc_ls_background_function   ?
_pd_proc_ls_pref_orient_corr
; ?
;
 
#  The following profile R-factors are NOT CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These are the current CIF standard
 
_pd_proc_ls_prof_R_factor                6.3036
_pd_proc_ls_prof_wR_factor               8.0946
_pd_proc_ls_prof_wR_expected             3.2268
 
#  The following profile R-factors are CORRECTED for background
#  The sum is extended to all non-excluded points.
#  These items are not in the current CIF standard, but are defined above
 
_pd_proc_ls_prof_cR_factor               16.6447
_pd_proc_ls_prof_cwR_factor              15.4177
_pd_proc_ls_prof_cwR_expected             6.1460
 
#  The following items are not in the CIF standard, but are defined above
 
_pd_proc_ls_prof_chi2                 6.2930
_pd_proc_ls_prof_echi2                6.6031
 
#  Items related to LS refinement
 
_refine_ls_R_I_factor                 0.0000
_refine_ls_number_reflns                     0
_refine_ls_number_parameters                37
_refine_ls_number_restraints                 0
 
# The following four items apply to angular dispersive measurements.
# 2theta minimum, maximum and increment (in degrees) are for the 
# intensities used in the refinement.
 
_pd_proc_2theta_range_min               10.5485
_pd_proc_2theta_range_max              131.9675
_pd_proc_2theta_range_inc              0.067230
_pd_proc_wavelength                    1.117600
 
_pd_block_diffractogram_id        ?  # The id used for the block containing
                                     # the powder pattern profile (section 11)
 
# Give appropriate details in the next two text fields.
 
_pd_proc_info_excluded_regions    ?
_pd_proc_info_data_reduction      ?
 
# The following items are used to identify the programs used.
 
_computing_data_collection           ?
_computing_structure_solution        ?
_computing_structure_refinement      FULLPROF
_computing_molecular_graphics        ?
_computing_publication_material      ?
 
#=============================================================================
 
# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
 
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_occupancy
    _atom_site_adp_type              # Not in version 2.0.1
    _atom_site_type_symbol
 Mg   0.00000     0.00000     0.00000     0.0077(9)   1.00000    Uiso MG  
 O   0.33333     0.66667     0.2169(18)  0.0027(5)   1.00006    Uiso O   
 H   0.372(10)   0.745(10)   0.424(4)    0.017(7)    0.33335    Uiso H   
 
# Note: if the displacement parameters were refined anisotropically
# the U matrices should be given as for single-crystal studies.
 
#=============================================================================
 
# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 
 
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
Mg    O     2.086(4)      1_445 ?
Mg    O     2.086(4)      1_545 ?
Mg    O     2.086(4)          . ?
Mg    O     2.086(4)      7_555 ?
Mg    O     2.086(4)      7_565 ?
Mg    O     2.086(4)      7_665 ?
O     Mg    2.086(4)          . ?
O     Mg    2.086(4)      1_565 ?
O     Mg    2.086(4)      1_665 ?
O     H     1.01(2)           . ?
O     H     1.01(2)       2_665 ?
O     H     1.01(2)       3_565 ?
O     H     1.01(2)       4_665 ?
O     H     1.01(2)       6_565 ?
O     H     2.34(2)       7_676 ?
O     H     2.34(2)       8_456 ?
O     H     2.34(3)       9_656 ?
O     H     2.34(2)      11_676 ?
O     H     2.34(3)      12_656 ?
H     O     1.01(2)           . ?
H     O     2.34(2)       7_676 ?
H     H     0.37(3)       2_665 ?
H     H     0.37(5)       3_565 ?
H     H     0.37(3)       4_665 ?
H     H     0.37(5)       6_565 ?
H     H     2.18(3)       7_566 ?
H     H     2.19(5)       7_666 ?
H     H     1.56(4)       7_676 ?
H     H     1.86(3)       8_456 ?
H     H     2.15(5)       8_556 ?
H     H     1.86(3)       8_566 ?
H     H     2.15(4)       9_556 ?
H     H     1.86(5)       9_656 ?
H     H     1.86(4)       9_666 ?
H     H     1.86(3)      10_566 ?
H     H     2.18(5)      11_666 ?
H     H     1.56(4)      11_676 ?
H     H     2.15(4)      12_556 ?
H     H     1.86(5)      12_656 ?
H     H     1.86(4)      12_666 ?

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
  O   Mg    O   97.73(16)      1_445    2_545 ?
  O   Mg    O   97.73(16)      1_445    3_555 ?
  O   Mg    O   82.3(4)        1_445    4_555 ?
  O   Mg    O   82.3(4)        1_445    5_565 ?
  O   Mg    O   180.0(4)       1_445    6_665 ?
  O   Mg    O   97.73(16)      2_545    3_555 ?
  O   Mg    O   82.3(4)        2_545    4_555 ?
  O   Mg    O   180.0(4)       2_545    5_565 ?
  O   Mg    O   82.3(4)        2_545    6_665 ?
  O   Mg    O   180.0(4)       3_555    4_555 ?
  O   Mg    O   82.3(4)        3_555    5_565 ?
  O   Mg    O   82.3(4)        3_555    6_665 ?
  O   Mg    O   97.73(16)      4_555    5_565 ?
  O   Mg    O   97.73(16)      4_555    6_665 ?
  O   Mg    O   97.73(16)      5_565    6_665 ?
 Mg    O   Mg   97.73(16)          .    2_565 ?
 Mg    O   Mg   97.73(16)          .    3_665 ?
 Mg    O    H   132(2)             .    4_555 ?
 Mg    O    H   113(2)             .    5_665 ?
 Mg    O    H   113(2)             .    6_565 ?
 Mg    O    H   113(2)             .    7_665 ?
 Mg    O    H   113(2)             .    8_565 ?
 Mg    O    H   162.8(14)          .    9_676 ?
 Mg    O    H   93.6(12)           .   10_456 ?
 Mg    O    H   93.5(11)           .   11_656 ?
 Mg    O    H   162.8(14)          .   12_676 ?
 Mg    O    H   93.6(11)           .   13_656 ?
 Mg    O   Mg   97.73(16)      2_565    3_665 ?
 Mg    O    H   113(2)         2_565    4_555 ?
 Mg    O    H   113(2)         2_565    5_665 ?
 Mg    O    H   132(3)         2_565    6_565 ?
 Mg    O    H   113(2)         2_565    7_665 ?
 Mg    O    H   132(3)         2_565    8_565 ?
 Mg    O    H   93.6(10)       2_565    9_676 ?
 Mg    O    H   93.5(10)       2_565   10_456 ?
 Mg    O    H   162.8(18)      2_565   11_656 ?
 Mg    O    H   93.5(10)       2_565   12_676 ?
 Mg    O    H   162.8(18)      2_565   13_656 ?
 Mg    O    H   113(2)         3_665    4_555 ?
 Mg    O    H   132(2)         3_665    5_665 ?
 Mg    O    H   113(2)         3_665    6_565 ?
 Mg    O    H   132(2)         3_665    7_665 ?
 Mg    O    H   113(2)         3_665    8_565 ?
 Mg    O    H   93.5(12)       3_665    9_676 ?
 Mg    O    H   162.8(14)      3_665   10_456 ?
 Mg    O    H   93.6(11)       3_665   11_656 ?
 Mg    O    H   93.6(12)       3_665   12_676 ?
 Mg    O    H   93.5(11)       3_665   13_656 ?
  H    O    H   21.1(18)       4_555    5_665 ?
  H    O    H   21(2)          4_555    6_565 ?
  H    O    H   21.1(18)       4_555    7_665 ?
  H    O    H   21(2)          4_555    8_565 ?
  H    O    H   31.0(19)       4_555    9_676 ?
  H    O    H   50(2)          4_555   10_456 ?
  H    O    H   50(3)          4_555   11_656 ?
  H    O    H   31.0(19)       4_555   12_676 ?
  H    O    H   50(3)          4_555   13_656 ?
  H    O    H   21(2)          5_665    6_565 ?
  H    O    H   0.2(17)        5_665    7_665 ?
  H    O    H   21(2)          5_665    8_565 ?
  H    O    H   50(2)          5_665    9_676 ?
  H    O    H   31.0(19)       5_665   10_456 ?
  H    O    H   50(3)          5_665   11_656 ?
  H    O    H   50(2)          5_665   12_676 ?
  H    O    H   50(3)          5_665   13_656 ?
  H    O    H   21(2)          6_565    7_665 ?
  H    O    H   0.2(18)        6_565    8_565 ?
  H    O    H   50(2)          6_565    9_676 ?
  H    O    H   50(2)          6_565   10_456 ?
  H    O    H   31(2)          6_565   11_656 ?
  H    O    H   50(2)          6_565   12_676 ?
  H    O    H   31(2)          6_565   13_656 ?
  H    O    H   21(2)          7_665    8_565 ?
  H    O    H   50(2)          7_665    9_676 ?
  H    O    H   31.0(19)       7_665   10_456 ?
  H    O    H   50(3)          7_665   11_656 ?
  H    O    H   50(2)          7_665   12_676 ?
  H    O    H   50(3)          7_665   13_656 ?
  H    O    H   50(2)          8_565    9_676 ?
  H    O    H   50(2)          8_565   10_456 ?
  H    O    H   31(2)          8_565   11_656 ?
  H    O    H   50(2)          8_565   12_676 ?
  H    O    H   31(2)          8_565   13_656 ?
  H    O    H   72.7(12)       9_676   10_456 ?
  H    O    H   72.7(17)       9_676   11_656 ?
  H    O    H   0.1(8)         9_676   12_676 ?
  H    O    H   72.7(17)       9_676   13_656 ?
  H    O    H   72.7(17)      10_456   11_656 ?
  H    O    H   72.7(12)      10_456   12_676 ?
  H    O    H   72.8(17)      10_456   13_656 ?
  H    O    H   72.8(17)      11_656   12_676 ?
  H    O    H   0.1(11)       11_656   13_656 ?
  H    O    H   72.7(17)      12_676   13_656 ?
  O    H    O   149.0(16)          .    2_676 ?
  O    H    H   79(6)              .    3_665 ?
  O    H    H   79(9)              .    4_565 ?
  O    H    H   79(6)              .    5_665 ?
  O    H    H   79(8)              .    6_565 ?
  O    H    H   101(2)             .    7_566 ?
  O    H    H   101(3)             .    8_666 ?
  O    H    H   130(3)             .    9_676 ?
  O    H    H   105(2)             .   10_456 ?
  O    H    H   103(3)             .   11_556 ?
  O    H    H   125(2)             .   12_566 ?
  O    H    H   103(2)             .   13_556 ?
  O    H    H   105(3)             .   14_656 ?
  O    H    H   125(3)             .   15_666 ?
  O    H    H   125(2)             .   16_566 ?
  O    H    H   101(3)             .   17_666 ?
  O    H    H   130(3)             .   18_676 ?
  O    H    H   103(2)             .   19_556 ?
  O    H    H   105(3)             .   20_656 ?
  O    H    H   125(3)             .   21_666 ?
  O    H    H   127(6)         2_676    3_665 ?
  O    H    H   126(9)         2_676    4_565 ?
  O    H    H   126(6)         2_676    5_665 ?
  O    H    H   126(9)         2_676    6_565 ?
  O    H    H   100.2(14)      2_676    7_566 ?
  O    H    H   100.2(20)      2_676    8_666 ?
  O    H    H   19.3(15)       2_676    9_676 ?
  O    H    H   95.2(15)       2_676   10_456 ?
  O    H    H   94.4(20)       2_676   11_556 ?
  O    H    H   24.5(13)       2_676   12_566 ?
  O    H    H   94.5(14)       2_676   13_556 ?
  O    H    H   95(2)          2_676   14_656 ?
  O    H    H   24.5(14)       2_676   15_666 ?
  O    H    H   24.5(13)       2_676   16_566 ?
  O    H    H   100.2(20)      2_676   17_666 ?
  O    H    H   19.3(15)       2_676   18_676 ?
  O    H    H   94.5(14)       2_676   19_556 ?
  O    H    H   95(2)          2_676   20_656 ?
  O    H    H   24.5(14)       2_676   21_666 ?
  H    H    H   60(12)         3_665    4_565 ?
  H    H    H   0(7)           3_665    5_665 ?
  H    H    H   60(12)         3_665    6_565 ?
  H    H    H   28(7)          3_665    7_566 ?
  H    H    H   80(9)          3_665    8_666 ?
  H    H    H   141(8)         3_665    9_676 ?
  H    H    H   33(7)          3_665   10_456 ?
  H    H    H   90(10)         3_665   11_556 ?
  H    H    H   148(8)         3_665   12_566 ?
  H    H    H   36(7)          3_665   13_556 ?
  H    H    H   84(9)          3_665   14_656 ?
  H    H    H   138(8)         3_665   15_666 ?
  H    H    H   148(8)         3_665   16_566 ?
  H    H    H   80(9)          3_665   17_666 ?
  H    H    H   141(8)         3_665   18_676 ?
  H    H    H   36(7)          3_665   19_556 ?
  H    H    H   84(9)          3_665   20_656 ?
  H    H    H   139(8)         3_665   21_666 ?
  H    H    H   60(12)         4_565    5_665 ?
  H    H    H   0(11)          4_565    6_565 ?
  H    H    H   81(10)         4_565    7_566 ?
  H    H    H   27(10)         4_565    8_666 ?
  H    H    H   140(11)        4_565    9_676 ?
  H    H    H   85(10)         4_565   10_456 ?
  H    H    H   35(10)         4_565   11_556 ?
  H    H    H   138(10)        4_565   12_566 ?
  H    H    H   90(10)         4_565   13_556 ?
  H    H    H   32(10)         4_565   14_656 ?
  H    H    H   147(11)        4_565   15_666 ?
  H    H    H   138(10)        4_565   16_566 ?
  H    H    H   27(10)         4_565   17_666 ?
  H    H    H   140(11)        4_565   18_676 ?
  H    H    H   90(10)         4_565   19_556 ?
  H    H    H   32(10)         4_565   20_656 ?
  H    H    H   147(11)        4_565   21_666 ?
  H    H    H   60(12)         5_665    6_565 ?
  H    H    H   27(7)          5_665    7_566 ?
  H    H    H   80(9)          5_665    8_666 ?
  H    H    H   140(8)         5_665    9_676 ?
  H    H    H   33(7)          5_665   10_456 ?
  H    H    H   90(10)         5_665   11_556 ?
  H    H    H   148(8)         5_665   12_566 ?
  H    H    H   35(7)          5_665   13_556 ?
  H    H    H   84(9)          5_665   14_656 ?
  H    H    H   138(8)         5_665   15_666 ?
  H    H    H   148(8)         5_665   16_566 ?
  H    H    H   80(9)          5_665   17_666 ?
  H    H    H   140(8)         5_665   18_676 ?
  H    H    H   35(7)          5_665   19_556 ?
  H    H    H   84(9)          5_665   20_656 ?
  H    H    H   138(8)         5_665   21_666 ?
  H    H    H   80(10)         6_565    7_566 ?
  H    H    H   27(10)         6_565    8_666 ?
  H    H    H   140(11)        6_565    9_676 ?
  H    H    H   84(10)         6_565   10_456 ?
  H    H    H   35(10)         6_565   11_556 ?
  H    H    H   138(10)        6_565   12_566 ?
  H    H    H   90(10)         6_565   13_556 ?
  H    H    H   32(10)         6_565   14_656 ?
  H    H    H   147(11)        6_565   15_666 ?
  H    H    H   138(10)        6_565   16_566 ?
  H    H    H   27(10)         6_565   17_666 ?
  H    H    H   140(11)        6_565   18_676 ?
  H    H    H   90(10)         6_565   19_556 ?
  H    H    H   33(10)         6_565   20_656 ?
  H    H    H   147(11)        6_565   21_666 ?
  H    H    H   92(2)          7_566    8_666 ?
  H    H    H   113(2)         7_566    9_676 ?
  H    H    H   5.3(14)        7_566   10_456 ?
  H    H    H   101(3)         7_566   11_556 ?
  H    H    H   120(2)         7_566   12_566 ?
  H    H    H   9.7(14)        7_566   13_556 ?
  H    H    H   94(3)          7_566   14_656 ?
  H    H    H   111(2)         7_566   15_666 ?
  H    H    H   120(2)         7_566   16_566 ?
  H    H    H   92(2)          7_566   17_666 ?
  H    H    H   113(2)         7_566   18_676 ?
  H    H    H   9.8(14)        7_566   19_556 ?
  H    H    H   94(3)          7_566   20_656 ?
  H    H    H   111(2)         7_566   21_666 ?
  H    H    H   113(3)         8_666    9_676 ?
  H    H    H   94(3)          8_666   10_456 ?
  H    H    H   9.7(19)        8_666   11_556 ?
  H    H    H   111(3)         8_666   12_566 ?
  H    H    H   101(3)         8_666   13_556 ?
  H    H    H   5(2)           8_666   14_656 ?
  H    H    H   120(3)         8_666   15_666 ?
  H    H    H   111(3)         8_666   16_566 ?
  H    H    H   0.1(19)        8_666   17_666 ?
  H    H    H   113(3)         8_666   18_676 ?
  H    H    H   101(3)         8_666   19_556 ?
  H    H    H   5(2)           8_666   20_656 ?
  H    H    H   120(3)         8_666   21_666 ?
  H    H    H   108(2)         9_676   10_456 ?
  H    H    H   105(3)         9_676   11_556 ?
  H    H    H   7.2(17)        9_676   12_566 ?
  H    H    H   105(2)         9_676   13_556 ?
  H    H    H   108(3)         9_676   14_656 ?
  H    H    H   7.4(18)        9_676   15_666 ?
  H    H    H   7.2(17)        9_676   16_566 ?
  H    H    H   113(3)         9_676   17_666 ?
  H    H    H   0.1(19)        9_676   18_676 ?
  H    H    H   105(2)         9_676   19_556 ?
  H    H    H   108(3)         9_676   20_656 ?
  H    H    H   7.3(18)        9_676   21_666 ?
  H    H    H   103(3)        10_456   11_556 ?
  H    H    H   115(2)        10_456   12_566 ?
  H    H    H   6.5(15)       10_456   13_556 ?
  H    H    H   96(3)         10_456   14_656 ?
  H    H    H   106(2)        10_456   15_666 ?
  H    H    H   115(2)        10_456   16_566 ?
  H    H    H   94(3)         10_456   17_666 ?
  H    H    H   108(2)        10_456   18_676 ?
  H    H    H   6.6(15)       10_456   19_556 ?
  H    H    H   96(3)         10_456   20_656 ?
  H    H    H   106(2)        10_456   21_666 ?
  H    H    H   103(3)        11_556   12_566 ?
  H    H    H   109(3)        11_556   13_556 ?
  H    H    H   7(2)          11_556   14_656 ?
  H    H    H   112(3)        11_556   15_666 ?
  H    H    H   103(3)        11_556   16_566 ?
  H    H    H   9.8(19)       11_556   17_666 ?
  H    H    H   105(3)        11_556   18_676 ?
  H    H    H   109(3)        11_556   19_556 ?
  H    H    H   7(2)          11_556   20_656 ?
  H    H    H   112(3)        11_556   21_666 ?
  H    H    H   113(2)        12_566   13_556 ?
  H    H    H   106(3)        12_566   14_656 ?
  H    H    H   11.4(16)      12_566   15_666 ?
  H    H    H   0.1(15)       12_566   16_566 ?
  H    H    H   111(3)        12_566   17_666 ?
  H    H    H   7.3(17)       12_566   18_676 ?
  H    H    H   113(2)        12_566   19_556 ?
  H    H    H   106(3)        12_566   20_656 ?
  H    H    H   11.3(16)      12_566   21_666 ?
  H    H    H   103(3)        13_556   14_656 ?
  H    H    H   103(2)        13_556   15_666 ?
  H    H    H   113(2)        13_556   16_566 ?
  H    H    H   101(3)        13_556   17_666 ?
  H    H    H   105(2)        13_556   18_676 ?
  H    H    H   0.0(14)       13_556   19_556 ?
  H    H    H   103(3)        13_556   20_656 ?
  H    H    H   103(2)        13_556   21_666 ?
  H    H    H   115(3)        14_656   15_666 ?
  H    H    H   106(3)        14_656   16_566 ?
  H    H    H   5(2)          14_656   17_666 ?
  H    H    H   108(3)        14_656   18_676 ?
  H    H    H   103(3)        14_656   19_556 ?
  H    H    H   0(2)          14_656   20_656 ?
  H    H    H   115(3)        14_656   21_666 ?
  H    H    H   11.4(16)      15_666   16_566 ?
  H    H    H   120(3)        15_666   17_666 ?
  H    H    H   7.3(18)       15_666   18_676 ?
  H    H    H   103(2)        15_666   19_556 ?
  H    H    H   115(3)        15_666   20_656 ?
  H    H    H   0.1(17)       15_666   21_666 ?
  H    H    H   111(3)        16_566   17_666 ?
  H    H    H   7.3(17)       16_566   18_676 ?
  H    H    H   113(2)        16_566   19_556 ?
  H    H    H   106(3)        16_566   20_656 ?
  H    H    H   11.4(16)      16_566   21_666 ?
  H    H    H   113(3)        17_666   18_676 ?
  H    H    H   101(3)        17_666   19_556 ?
  H    H    H   5(2)          17_666   20_656 ?
  H    H    H   120(3)        17_666   21_666 ?
  H    H    H   105(2)        18_676   19_556 ?
  H    H    H   108(3)        18_676   20_656 ?
  H    H    H   7.2(18)       18_676   21_666 ?
  H    H    H   103(3)        19_556   20_656 ?
  H    H    H   103(2)        19_556   21_666 ?
  H    H    H   115(3)        20_656   21_666 ?
 
#=============================================================================
 
#=============================================================================
# Additional structures (last six sections and associated data_? identifiers) 
# may be added at this point.                                                 
#=============================================================================
 
# The following lines are used to test the character set of files sent by     
# network email or other means. They are not part of the CIF data set.        
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# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
