data_cefprozil_4
_pd_block_id  2019-02-15T10:25|cefprozil_4|ButlerZachary|APS11BM
_audit_creation_method  "created in GSAS-II"
_audit_creation_date  2019-02-15T10:25
_audit_author_name  "Butler, Zachary"
_audit_update_record
   "2019-02-15T10:25  Initial software-generated CIF"
# GSAS-II edited template follows Publication_Template
#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 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

#==============================================================================

# 2. 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            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_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
; ?
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
; ?
;
_pd_proc_ls_special_details
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?        
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?        
_refine_ls_extinction_method      ?        
_refine_ls_extinction_coef        ?         
_refine_ls_number_constraints     ?        

_refine_ls_restrained_S_all       ?        
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# 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              ?        

_pd_char_colour                   ?       # use ICDD colour descriptions

_pd_proc_info_datetime  2019-02-15T10:25
_pd_calc_method  "Rietveld Refinement"
_computing_structure_refinement
   "GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)"
_refine_ls_number_parameters  204
_refine_ls_goodness_of_fit_all  1.991

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs  0.09583
_refine_ls_matrix_type  full
# GSAS-II edited template follows Phase_Template
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?        
_chemical_formula_structural      ?        
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and 
                                          # natural products
_symmetry_space_group_name_Hall   ?

_exptl_crystal_F_000               ?
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?

_cell_measurement_temperature     ?        

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     ?        

#==============================================================================

# 8. Phase information from GSAS



# phase info for cefprozil_h2o follows
_pd_phase_name  cefprozil_h2o
_cell_length_a  11.26513(6)
_cell_length_b  11.34004(5)
_cell_length_c  14.72649(11)
_cell_angle_alpha  90
_cell_angle_beta   90.1250(4)
_cell_angle_gamma  90
_cell_volume  1881.262(15)
_exptl_crystal_density_diffrn  1.4385
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  "P 21"
loop_
    _space_group_symop_id
    _space_group_symop_operation_xyz
     1  x,y,z
     2  -x,1/2+y,-z

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
loop_ 
   _atom_site_label
   _atom_site_type_symbol
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_occupancy
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_symmetry_multiplicity
S1     S    0.4450(4)   0.4840(17)  0.7758(4)   1.000      Uiso 0.0465(9)  2   
C2     C    0.3304(6)   0.5448(18)  0.8509(6)   1.000      Uiso 0.0491(12) 2   
C3     C    0.3707(6)   0.6400(18)  0.9166(5)   1.000      Uiso 0.0491     2   
C4     C    0.4506(7)   0.7216(18)  0.8845(5)   1.000      Uiso 0.0491     2   
N5     N    0.5177(5)   0.7035(17)  0.8046(4)   1.000      Uiso 0.0491     2   
C6     C    0.4894(5)   0.6225(18)  0.7302(4)   1.000      Uiso 0.0491     2   
C7     C    0.6218(6)   0.6318(18)  0.7012(4)   1.000      Uiso 0.0491     2   
C8     C    0.6382(6)   0.7009(19)  0.7896(6)   1.000      Uiso 0.0491     2   
O9     O    0.7219(6)   0.7432(17)  0.8315(7)   1.000      Uiso 0.0491     2   
C10    C    0.4849(9)   0.8289(18)  0.9371(5)   1.000      Uiso 0.026(6)   2   
O11    O    0.4840(9)   0.9277(18)  0.8899(7)   1.000      Uiso 0.055(5)   2   
O12    O    0.5138(9)   0.8231(18)  1.0183(6)   1.000      Uiso 0.049(4)   2   
N13    N    0.6919(7)   0.5239(18)  0.6965(5)   1.000      Uiso 0.0399(11) 2   
C14    C    0.7164(9)   0.4688(18)  0.6190(4)   1.000      Uiso 0.0399     2   
O15    O    0.6780(7)   0.4999(18)  0.5455(5)   1.000      Uiso 0.0399     2   
C16    C    0.7797(6)   0.3515(18)  0.6297(6)   1.000      Uiso 0.0399     2   
N17    N    0.8459(9)   0.3298(18)  0.5449(8)   1.000      Uiso 0.0399     2   
C18    C    0.6929(8)   0.2547(19)  0.6553(5)   1.000      Uiso 0.0537(12) 2   
C19    C    0.6946(11)  0.2042(20)  0.7407(5)   1.000      Uiso 0.0537     2   
C20    C    0.6262(11)  0.1055(20)  0.7600(6)   1.000      Uiso 0.0537     2   
C21    C    0.5446(10)  0.0660(20)  0.6970(6)   1.000      Uiso 0.0537     2   
C22    C    0.5315(11)  0.1253(20)  0.6155(6)   1.000      Uiso 0.0537     2   
C23    C    0.6024(11)  0.2222(21)  0.5969(7)   1.000      Uiso 0.0537     2   
O24    O    0.4674(8)   -0.0211(19) 0.7194(7)   1.000      Uiso 0.0537     2   
C25    C    0.2970(10)  0.6664(19)  0.9965(6)   1.000      Uiso 0.0802(26) 2   
C26    C    0.1999(8)   0.6153(19)  1.0217(8)   1.000      Uiso 0.0802     2   
C27    C    0.1893(11)  0.4894(21)  1.0507(12)  1.000      Uiso 0.0802     2   
H28    H    0.31508     0.44974     0.88497     1.000      Uiso 0.049      2   
H29    H    0.26039     0.55988     0.80981     1.000      Uiso 0.049      2   
H30    H    0.42920     0.66647     0.67912     1.000      Uiso 0.049      2   
H31    H    0.63627     0.68753     0.63705     1.000      Uiso 0.049      2   
H32    H    0.41070     0.91530     0.88793     1.000      Uiso 0.064      2   
H33    H    0.72045     0.48014     0.74124     1.000      Uiso 0.074      2   
H34    H    0.84726     0.36074     0.65628     1.000      Uiso 0.074      2   
H35    H    0.87603     0.39370     0.49929     1.000      Uiso 0.074      2   
H36    H    0.86522     0.24994     0.51775     1.000      Uiso 0.074      2   
H37    H    0.78443     0.20177     0.78445     1.000      Uiso 0.058      2   
H38    H    0.64150     0.04262     0.83184     1.000      Uiso 0.058      2   
H39    H    0.46125     0.06907     0.57057     1.000      Uiso 0.058      2   
H40    H    0.58355     0.24946     0.53367     1.000      Uiso 0.058      2   
H41    H    0.41407     0.01767     0.77362     1.000      Uiso 0.058      2   
H42    H    0.32393     0.74009     1.04500     1.000      Uiso 0.149      2   
H43    H    0.11314     0.66702     1.02297     1.000      Uiso 0.149      2   
H44    H    0.22158     0.42946     0.99372     1.000      Uiso 0.149      2   
H45    H    0.24571     0.47418     1.11399     1.000      Uiso 0.149      2   
H46    H    0.09253     0.46855     1.06650     1.000      Uiso 0.149      2   
S47    S    1.0553(4)   0.4766(17)  0.2767(4)   1.000      Uiso 0.0465     2   
C48    C    1.1686(7)   0.4217(19)  0.3565(7)   1.000      Uiso 0.0491     2   
C49    C    1.1402(8)   0.3136(18)  0.4136(6)   1.000      Uiso 0.0491     2   
C50    C    1.0460(6)   0.2431(18)  0.3906(5)   1.000      Uiso 0.0491     2   
N51    N    0.9849(5)   0.2556(18)  0.3072(5)   1.000      Uiso 0.0491     2   
C52    C    1.0151(5)   0.3357(17)  0.2326(4)   1.000      Uiso 0.0491     2   
C53    C    0.8840(6)   0.3243(17)  0.2000(4)   1.000      Uiso 0.0491     2   
C54    C    0.8660(6)   0.2512(19)  0.2863(6)   1.000      Uiso 0.0491     2   
O55    O    0.7797(6)   0.2239(19)  0.3321(6)   1.000      Uiso 0.0491     2   
C56    C    1.0206(9)   0.1289(17)  0.4381(5)   1.000      Uiso 0.050(8)   2   
O57    O    0.9858(10)  0.1346(19)  0.5237(6)   1.000      Uiso 0.067(5)   2   
O58    O    1.0216(8)   0.0365(18)  0.3945(6)   1.000      Uiso 0.018(4)   2   
N59    N    0.8101(7)   0.4300(18)  0.1972(5)   1.000      Uiso 0.0399     2   
C60    C    0.7900(10)  0.4905(18)  0.1209(5)   1.000      Uiso 0.0399     2   
O61    O    0.8198(7)   0.4559(18)  0.0461(5)   1.000      Uiso 0.0399     2   
C62    C    0.7206(6)   0.6055(18)  0.1329(6)   1.000      Uiso 0.0399     2   
N63    N    0.6487(9)   0.6255(20)  0.0504(8)   1.000      Uiso 0.0399     2   
C64    C    0.8022(8)   0.7083(18)  0.1551(6)   1.000      Uiso 0.0537     2   
C65    C    0.8944(11)  0.7379(21)  0.0976(7)   1.000      Uiso 0.0537     2   
C66    C    0.9744(10)  0.8258(21)  0.1204(7)   1.000      Uiso 0.0537     2   
C67    C    0.9647(8)   0.8832(19)  0.2029(7)   1.000      Uiso 0.0537     2   
C68    C    0.8677(10)  0.8621(21)  0.2571(7)   1.000      Uiso 0.0537     2   
C69    C    0.7900(9)   0.7713(20)  0.2351(6)   1.000      Uiso 0.0537     2   
O70    O    1.0361(8)   0.9769(19)  0.2201(7)   1.000      Uiso 0.0537     2   
C71    C    1.2181(9)   0.2828(19)  0.4902(8)   1.000      Uiso 0.0802     2   
C72    C    1.2838(13)  0.3531(20)  0.5396(8)   1.000      Uiso 0.0802     2   
C73    C    1.3221(12)  0.4743(21)  0.5135(11)  1.000      Uiso 0.0802     2   
H74    H    1.18740     0.47817     0.41897     1.000      Uiso 0.049      2   
H75    H    1.24841     0.38114     0.33650     1.000      Uiso 0.049      2   
H76    H    1.08701     0.28550     0.19516     1.000      Uiso 0.049      2   
H77    H    0.88190     0.26132     0.14805     1.000      Uiso 0.049      2   
H78    H    0.93277     0.17546     0.54330     1.000      Uiso 0.064      2   
H79    H    0.80038     0.45878     0.26740     1.000      Uiso 0.074      2   
H80    H    0.66807     0.58323     0.20414     1.000      Uiso 0.074      2   
H81    H    0.70303     0.67214    -0.00111     1.000      Uiso 0.074      2   
H82    H    0.57006     0.67996     0.06769     1.000      Uiso 0.074      2   
H83    H    0.90544     0.68967     0.03022     1.000      Uiso 0.058      2   
H84    H    1.04820     0.85080     0.07117     1.000      Uiso 0.058      2   
H85    H    0.85142     0.91897     0.31967     1.000      Uiso 0.058      2   
H86    H    0.71521     0.74897     0.28421     1.000      Uiso 0.058      2   
H87    H    1.03777     1.01798     0.14615     1.000      Uiso 0.058      2   
H88    H    1.22637     0.18705     0.51293     1.000      Uiso 0.149      2   
H89    H    1.31676     0.32305     0.60909     1.000      Uiso 0.149      2   
H90    H    1.33626     0.47836     0.43693     1.000      Uiso 0.149      2   
H91    H    1.25066     0.54037     0.53381     1.000      Uiso 0.149      2   
H92    H    1.40866     0.49683     0.54980     1.000      Uiso 0.149      2   
O93    O    0.3041(10)  0.9387(21)  0.1253(10)  1.000      Uiso 0.1074(28) 2   
O94    O    0.7948(10)  0.5060(22)  0.3812(9)   1.000      Uiso 0.1074     2   
H95    H    0.25000     0.94670     0.06680     1.000      Uiso 0.126      2   
H96    H    0.29510     1.01850     0.12870     1.000      Uiso 0.126      2   
H97    H    0.75660     0.50280     0.43050     1.000      Uiso 0.126      2   
H98    H    0.85830     0.49630     0.35390     1.000      Uiso 0.126      2   

loop_  _atom_type_symbol _atom_type_number_in_cell
  C    72
  H    84
  N    12
  O    24
  S    4

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z  2
_chemical_formula_sum  "C36 H42 N6 O12 S2"
_chemical_formula_weight  814.88

# MOLECULAR GEOMETRY
loop_
   _geom_bond_atom_site_label_1
   _geom_bond_atom_site_label_2
   _geom_bond_distance
   _geom_bond_site_symmetry_1
   _geom_bond_site_symmetry_2
   _geom_bond_publ_flag
  S1     C2     1.836(4)     1_555    1_555 yes
  S1     C6     1.781(4)     1_555    1_555 yes
  C2     S1     1.836(4)     1_555    1_555 yes
  C2     C3     1.5178(23)   1_555    1_555 yes
  C2     H28    1.202(19)    1_555    1_555 yes
  C2     H29    1.008(10)    1_555    1_555 yes
  C3     C2     1.5178(23)   1_555    1_555 yes
  C3     C4     1.3746(31)   1_555    1_555 yes
  C3     C25    1.473(5)     1_555    1_555 yes
  C4     C3     1.3746(31)   1_555    1_555 yes
  C4     N5     1.415(4)     1_555    1_555 yes
  C4     C10    1.493(4)     1_555    1_555 yes
  N5     C4     1.415(4)     1_555    1_555 yes
  N5     C6     1.466(3)     1_555    1_555 yes
  N5     C8     1.376(5)     1_555    1_555 yes
  C6     S1     1.781(4)     1_555    1_555 yes
  C6     N5     1.466(3)     1_555    1_555 yes
  C6     C7     1.556(3)     1_555    1_555 yes
  C6     H30    1.128(10)    1_555    1_555 yes
  C7     C6     1.556(3)     1_555    1_555 yes
  C7     C8     1.530(4)     1_555    1_555 yes
  C7     N13    1.458(4)     1_555    1_555 yes
  C7     H31    1.148(12)    1_555    1_555 yes
  C8     N5     1.376(5)     1_555    1_555 yes
  C8     C7     1.530(4)     1_555    1_555 yes
  C8     O9     1.224(3)     1_555    1_555 yes
  O9     C8     1.224(3)     1_555    1_555 yes
  C10    C4     1.493(4)     1_555    1_555 yes
  C10    O11    1.319(5)     1_555    1_555 yes
  C10    O12    1.241(5)     1_555    1_555 yes
  C10    H32    1.477(15)    1_555    1_555 yes
  O11    C10    1.319(5)     1_555    1_555 yes
  O11    H32    0.839(10)    1_555    1_555 yes
  O11    H81    1.595(18)    1_555    2_656 yes
  O12    C10    1.241(5)     1_555    1_555 yes
  N13    C7     1.458(4)     1_555    1_555 yes
  N13    C14    1.332(4)     1_555    1_555 yes
  N13    H33    0.884(13)    1_555    1_555 yes
  C14    N13    1.332(4)     1_555    1_555 yes
  C14    O15    1.217(4)     1_555    1_555 yes
  C14    C16    1.517(4)     1_555    1_555 yes
  O15    C14    1.217(4)     1_555    1_555 yes
  C16    C14    1.517(4)     1_555    1_555 yes
  C16    N17    1.477(11)    1_555    1_555 yes
  C16    C18    1.5187(23)   1_555    1_555 yes
  C16    H34    0.861(7)     1_555    1_555 yes
  N17    C16    1.477(11)    1_555    1_555 yes
  N17    H34    1.678(12)    1_555    1_555 yes
  N17    H35    1.045(16)    1_555    1_555 yes
  N17    H36    1.014(19)    1_555    1_555 yes
  C18    C16    1.5187(23)   1_555    1_555 yes
  C18    C19    1.3828(30)   1_555    1_555 yes
  C18    C23    1.3821(30)   1_555    1_555 yes
  C19    C18    1.3828(30)   1_555    1_555 yes
  C19    C20    1.388(3)     1_555    1_555 yes
  C19    H37    1.198(9)     1_555    1_555 yes
  C20    C19    1.388(3)     1_555    1_555 yes
  C20    C21    1.380(3)     1_555    1_555 yes
  C20    H38    1.287(12)    1_555    1_555 yes
  C21    C20    1.380(3)     1_555    1_555 yes
  C21    C22    1.384(3)     1_555    1_555 yes
  C21    O24    1.357(4)     1_555    1_555 yes
  C22    C21    1.384(3)     1_555    1_555 yes
  C22    C23    1.385(3)     1_555    1_555 yes
  C22    H39    1.212(12)    1_555    1_555 yes
  C23    C18    1.3821(30)   1_555    1_555 yes
  C23    C22    1.385(3)     1_555    1_555 yes
  C23    H40    1.004(9)     1_555    1_555 yes
  C23    H92    1.784(14)    1_555    1_455 yes
  O24    C21    1.357(4)     1_555    1_555 yes
  O24    H41    1.093(13)    1_555    1_555 yes
  C25    C3     1.473(5)     1_555    1_555 yes
  C25    C26    1.293(7)     1_555    1_555 yes
  C25    H42    1.011(20)    1_555    1_555 yes
  C26    C25    1.293(7)     1_555    1_555 yes
  C26    C27    1.496(8)     1_555    1_555 yes
  C26    H43    1.108(9)     1_555    1_555 yes
  C27    C26    1.496(8)     1_555    1_555 yes
  C27    H44    1.549(19)    1_555    1_555 yes
  C27    H45    1.122(19)    1_555    1_555 yes
  C27    H46    1.242(17)    1_555    1_555 yes
  H28    C2     1.202(19)    1_555    1_555 yes
  H28    H44    1.50845      1_555    1_555 yes
  H29    C2     1.008(10)    1_555    1_555 yes
  H30    C6     1.128(10)    1_555    1_555 yes
  H31    C7     1.148(12)    1_555    1_555 yes
  H31    H90    1.44365      1_555    2_756 yes
  H32    C10    1.477(15)    1_555    1_555 yes
  H32    O11    0.839(10)    1_555    1_555 yes
  H32    H81    1.54665      1_555    2_656 yes
  H33    N13    0.884(13)    1_555    1_555 yes
  H34    C16    0.861(7)     1_555    1_555 yes
  H34    N17    1.678(12)    1_555    1_555 yes
  H35    N17    1.045(16)    1_555    1_555 yes
  H35    H36    1.65728      1_555    1_555 yes
  H36    N17    1.014(19)    1_555    1_555 yes
  H36    H35    1.65728      1_555    1_555 yes
  H36    H78    1.19697      1_555    1_555 yes
  H37    C19    1.198(9)     1_555    1_555 yes
  H38    C20    1.287(12)    1_555    1_555 yes
  H39    C22    1.212(12)    1_555    1_555 yes
  H39    H91    1.6388       1_555    1_455 yes
  H40    C23    1.004(9)     1_555    1_555 yes
  H40    H92    1.50004      1_555    1_455 yes
  H41    O24    1.093(13)    1_555    1_555 yes
  H41    H80    1.23188      1_555    2_646 yes
  H42    C25    1.011(20)    1_555    1_555 yes
  H43    C26    1.108(9)     1_555    1_555 yes
  H44    C27    1.549(19)    1_555    1_555 yes
  H44    H28    1.50845      1_555    1_555 yes
  H45    C27    1.122(19)    1_555    1_555 yes
  H46    C27    1.242(17)    1_555    1_555 yes
  S47    C48    1.842(4)     1_555    1_555 yes
  S47    C52    1.783(4)     1_555    1_555 yes
  C48    S47    1.842(4)     1_555    1_555 yes
  C48    C49    1.5202(23)   1_555    1_555 yes
  C48    H74    1.140(16)    1_555    1_555 yes
  C48    H75    1.053(14)    1_555    1_555 yes
  C49    C48    1.5202(23)   1_555    1_555 yes
  C49    C50    1.3707(31)   1_555    1_555 yes
  C49    C71    1.469(5)     1_555    1_555 yes
  C50    C49    1.3707(31)   1_555    1_555 yes
  C50    N51    1.414(4)     1_555    1_555 yes
  C50    C56    1.500(4)     1_555    1_555 yes
  N51    C50    1.414(4)     1_555    1_555 yes
  N51    C52    1.466(3)     1_555    1_555 yes
  N51    C54    1.375(5)     1_555    1_555 yes
  C52    S47    1.783(4)     1_555    1_555 yes
  C52    N51    1.466(3)     1_555    1_555 yes
  C52    C53    1.557(3)     1_555    1_555 yes
  C52    H76    1.134(10)    1_555    1_555 yes
  C53    C52    1.557(3)     1_555    1_555 yes
  C53    C54    1.531(4)     1_555    1_555 yes
  C53    N59    1.459(4)     1_555    1_555 yes
  C53    H77    1.047(14)    1_555    1_555 yes
  C54    N51    1.375(5)     1_555    1_555 yes
  C54    C53    1.531(4)     1_555    1_555 yes
  C54    O55    1.224(3)     1_555    1_555 yes
  O55    C54    1.224(3)     1_555    1_555 yes
  C56    C50    1.500(4)     1_555    1_555 yes
  C56    O57    1.322(5)     1_555    1_555 yes
  C56    O58    1.228(5)     1_555    1_555 yes
  O57    C56    1.322(5)     1_555    1_555 yes
  O57    H78    0.810(15)    1_555    1_555 yes
  O58    C56    1.228(5)     1_555    1_555 yes
  N59    C53    1.459(4)     1_555    1_555 yes
  N59    C60    1.335(4)     1_555    1_555 yes
  N59    H79    1.089(9)     1_555    1_555 yes
  C60    N59    1.335(4)     1_555    1_555 yes
  C60    O61    1.217(4)     1_555    1_555 yes
  C60    C62    1.531(4)     1_555    1_555 yes
  O61    C60    1.217(4)     1_555    1_555 yes
  C62    C60    1.531(4)     1_555    1_555 yes
  C62    N63    1.476(10)    1_555    1_555 yes
  C62    C64    1.5195(23)   1_555    1_555 yes
  C62    H80    1.232(9)     1_555    1_555 yes
  N63    C62    1.476(10)    1_555    1_555 yes
  N63    H81    1.281(19)    1_555    1_555 yes
  N63    H82    0.886(17)    1_555    1_555 yes
  C64    C62    1.5195(23)   1_555    1_555 yes
  C64    C65    1.3824(30)   1_555    1_555 yes
  C64    C69    1.3855(30)   1_555    1_555 yes
  C65    C64    1.3824(30)   1_555    1_555 yes
  C65    C66    1.385(3)     1_555    1_555 yes
  C65    H83    1.327(18)    1_555    1_555 yes
  C66    C65    1.385(3)     1_555    1_555 yes
  C66    C67    1.383(3)     1_555    1_555 yes
  C66    H84    1.166(9)     1_555    1_555 yes
  C67    C66    1.383(3)     1_555    1_555 yes
  C67    C68    1.375(3)     1_555    1_555 yes
  C67    O70    1.356(4)     1_555    1_555 yes
  C68    C67    1.375(3)     1_555    1_555 yes
  C68    C69    1.389(3)     1_555    1_555 yes
  C68    H85    1.037(12)    1_555    1_555 yes
  C69    C64    1.3855(30)   1_555    1_555 yes
  C69    C68    1.389(3)     1_555    1_555 yes
  C69    H86    1.229(12)    1_555    1_555 yes
  O70    C67    1.356(4)     1_555    1_555 yes
  O70    H87    1.184(13)    1_555    1_555 yes
  C71    C49    1.469(5)     1_555    1_555 yes
  C71    C72    1.308(7)     1_555    1_555 yes
  C71    H88    1.480(13)    1_555    1_555 yes
  C72    C71    1.308(7)     1_555    1_555 yes
  C72    C73    1.491(7)     1_555    1_555 yes
  C72    H89    0.848(22)    1_555    1_555 yes
  C73    C72    1.491(7)     1_555    1_555 yes
  C73    H89    0.742(22)    1_555    1_555 yes
  H74    C48    1.140(16)    1_555    1_555 yes
  H75    C48    1.053(14)    1_555    1_555 yes
  H76    C52    1.134(10)    1_555    1_555 yes
  H77    C53    1.047(14)    1_555    1_555 yes
  H78    H36    1.19697      1_555    1_555 yes
  H78    O57    0.810(15)    1_555    1_555 yes
  H79    N59    1.089(9)     1_555    1_555 yes
  H79    H98    1.49191      1_555    1_555 yes
  H80    H41    1.23188      1_555    2_656 yes
  H80    C62    1.232(9)     1_555    1_555 yes
  H81    O11    1.595(18)    1_555    2_646 yes
  H81    H32    1.54665      1_555    2_646 yes
  H81    N63    1.281(19)    1_555    1_555 yes
  H81    H82    1.65731      1_555    1_555 yes
  H82    N63    0.886(17)    1_555    1_555 yes
  H82    H81    1.65731      1_555    1_555 yes
  H83    C65    1.327(18)    1_555    1_555 yes
  H84    C66    1.166(9)     1_555    1_555 yes
  H85    C68    1.037(12)    1_555    1_555 yes
  H86    C69    1.229(12)    1_555    1_555 yes
  H87    O70    1.184(13)    1_555    1_555 yes
  H88    C71    1.480(13)    1_555    1_555 yes
  H89    C72    0.848(22)    1_555    1_555 yes
  H89    C73    0.742(22)    1_555    1_555 yes
  H90    H31    1.44365      1_555    2_746 yes
  H91    H39    1.6388       1_555    1_655 yes
  H92    C23    1.784(14)    1_555    1_655 yes
  H92    H40    1.50004      1_555    1_655 yes
  O93    H95    1.058(14)    1_555    1_555 yes
  O93    H96    0.913(23)    1_555    1_555 yes
  O94    H97    0.845(13)    1_555    1_555 yes
  O94    H98    0.829(13)    1_555    1_555 yes
  H95    O93    1.058(14)    1_555    1_555 yes
  H95    H96    1.32288      1_555    1_555 yes
  H96    O93    0.913(23)    1_555    1_555 yes
  H96    H95    1.32288      1_555    1_555 yes
  H97    O94    0.845(13)    1_555    1_555 yes
  H97    H98    1.61125      1_555    1_555 yes
  H98    H79    1.49191      1_555    1_555 yes
  H98    O94    0.829(13)    1_555    1_555 yes
  H98    H97    1.61125      1_555    1_555 yes

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_2
   _geom_angle_site_symmetry_3
   _geom_angle_publ_flag
  C2     S1     C6     95.42(29)     1_555  1_555    1_555 yes
  S1     C2     C3     116.18(31)    1_555  1_555    1_555 yes
  S1     C2     H28    90.9(5)       1_555  1_555    1_555 yes
  C3     C2     H28    114.5(8)      1_555  1_555    1_555 yes
  S1     C2     H29    104.6(7)      1_555  1_555    1_555 yes
  C3     C2     H29    119.7(12)     1_555  1_555    1_555 yes
  H28    C2     H29    106.8(11)     1_555  1_555    1_555 yes
  C2     C3     C4     117.1(4)      1_555  1_555    1_555 yes
  C2     C3     C25    119.06(18)    1_555  1_555    1_555 yes
  C4     C3     C25    120.52(14)    1_555  1_555    1_555 yes
  C3     C4     N5     122.66(20)    1_555  1_555    1_555 yes
  C3     C4     C10    122.65(20)    1_555  1_555    1_555 yes
  N5     C4     C10    114.26(26)    1_555  1_555    1_555 yes
  C4     N5     C6     126.66(28)    1_555  1_555    1_555 yes
  C4     N5     C8     131.8(4)      1_555  1_555    1_555 yes
  C6     N5     C8     94.49(23)     1_555  1_555    1_555 yes
  S1     C6     N5     109.34(31)    1_555  1_555    1_555 yes
  S1     C6     C7     115.73(29)    1_555  1_555    1_555 yes
  N5     C6     C7     87.46(19)     1_555  1_555    1_555 yes
  S1     C6     H30    118.2(9)      1_555  1_555    1_555 yes
  N5     C6     H30    110.6(10)     1_555  1_555    1_555 yes
  C7     C6     H30    111.3(5)      1_555  1_555    1_555 yes
  C6     C7     C8     85.13(21)     1_555  1_555    1_555 yes
  C6     C7     N13    118.4(4)      1_555  1_555    1_555 yes
  C8     C7     N13    113.9(5)      1_555  1_555    1_555 yes
  C6     C7     H31    113.6(6)      1_555  1_555    1_555 yes
  C8     C7     H31    113.7(10)     1_555  1_555    1_555 yes
  N13    C7     H31    110.2(8)      1_555  1_555    1_555 yes
  N5     C8     C7     91.82(23)     1_555  1_555    1_555 yes
  N5     C8     O9     132.0(3)      1_555  1_555    1_555 yes
  C7     C8     O9     136.1(4)      1_555  1_555    1_555 yes
  C4     C10    O11    114.7(4)      1_555  1_555    1_555 yes
  C4     C10    O12    121.6(4)      1_555  1_555    1_555 yes
  O11    C10    O12    123.7(4)      1_555  1_555    1_555 yes
  C10    O11    H32    83.2(14)      1_555  1_555    1_555 yes
  C7     N13    C14    123.2(4)      1_555  1_555    1_555 yes
  C7     N13    H33    129.2(10)     1_555  1_555    1_555 yes
  C14    N13    H33    107.4(10)     1_555  1_555    1_555 yes
  N13    C14    O15    123.54(28)    1_555  1_555    1_555 yes
  N13    C14    C16    114.84(21)    1_555  1_555    1_555 yes
  O15    C14    C16    120.90(23)    1_555  1_555    1_555 yes
  C14    C16    N17    107.2(4)      1_555  1_555    1_555 yes
  C14    C16    C18    110.9(4)      1_555  1_555    1_555 yes
  N17    C16    C18    114.5(4)      1_555  1_555    1_555 yes
  C14    C16    H34    110.8(14)     1_555  1_555    1_555 yes
  N17    C16    H34    87.6(8)       1_555  1_555    1_555 yes
  C18    C16    H34    123.0(12)     1_555  1_555    1_555 yes
  C16    N17    H35    126.4(11)     1_555  1_555    1_555 yes
  C16    N17    H36    126.3(9)      1_555  1_555    1_555 yes
  H35    N17    H36    107.2(10)     1_555  1_555    1_555 yes
  C16    C18    C19    121.1(3)      1_555  1_555    1_555 yes
  C16    C18    C23    120.9(3)      1_555  1_555    1_555 yes
  C19    C18    C23    117.70(21)    1_555  1_555    1_555 yes
  C18    C19    C20    120.83(18)    1_555  1_555    1_555 yes
  C18    C19    H37    120.6(8)      1_555  1_555    1_555 yes
  C20    C19    H37    109.9(11)     1_555  1_555    1_555 yes
  C19    C20    C21    119.61(18)    1_555  1_555    1_555 yes
  C19    C20    H38    122.8(8)      1_555  1_555    1_555 yes
  C21    C20    H38    117.4(8)      1_555  1_555    1_555 yes
  C20    C21    C22    119.68(20)    1_555  1_555    1_555 yes
  C20    C21    O24    120.0(4)      1_555  1_555    1_555 yes
  C22    C21    O24    119.8(4)      1_555  1_555    1_555 yes
  C21    C22    C23    119.74(18)    1_555  1_555    1_555 yes
  C21    C22    H39    106.6(8)      1_555  1_555    1_555 yes
  C23    C22    H39    133.3(8)      1_555  1_555    1_555 yes
  C18    C23    C22    120.88(18)    1_555  1_555    1_555 yes
  C18    C23    H40    130.5(9)      1_555  1_555    1_555 yes
  C22    C23    H40    107.9(10)     1_555  1_555    1_555 yes
  C21    O24    H41    103.8(13)     1_555  1_555    1_555 yes
  C3     C25    C26    128.04(31)    1_555  1_555    1_555 yes
  C3     C25    H42    122.6(7)      1_555  1_555    1_555 yes
  C26    C25    H42    102.6(8)      1_555  1_555    1_555 yes
  C25    C26    C27    125.3(4)      1_555  1_555    1_555 yes
  C25    C26    H43    141.9(12)     1_555  1_555    1_555 yes
  C27    C26    H43    86.9(13)      1_555  1_555    1_555 yes
  C26    C27    H45    133.2(15)     1_555  1_555    1_555 yes
  C26    C27    H46    122.8(14)     1_555  1_555    1_555 yes
  H45    C27    H46    103.8(16)     1_555  1_555    1_555 yes
  N17    H36    H78    130.1(7)      1_555  1_555    1_555 yes
  O24    H41    H80    148.4(7)      1_555  1_555    2_646 yes
  C48    S47    C52    96.04(29)     1_555  1_555    1_555 yes
  S47    C48    C49    118.63(29)    1_555  1_555    1_555 yes
  S47    C48    H74    116.9(10)     1_555  1_555    1_555 yes
  C49    C48    H74    92.6(10)      1_555  1_555    1_555 yes
  S47    C48    H75    124.0(8)      1_555  1_555    1_555 yes
  C49    C48    H75    89.1(11)      1_555  1_555    1_555 yes
  H74    C48    H75    108.3(5)      1_555  1_555    1_555 yes
  C48    C49    C50    119.82(20)    1_555  1_555    1_555 yes
  C48    C49    C71    119.34(17)    1_555  1_555    1_555 yes
  C50    C49    C71    120.76(13)    1_555  1_555    1_555 yes
  C49    C50    N51    122.11(21)    1_555  1_555    1_555 yes
  C49    C50    C56    122.49(21)    1_555  1_555    1_555 yes
  N51    C50    C56    113.48(28)    1_555  1_555    1_555 yes
  C50    N51    C52    126.90(28)    1_555  1_555    1_555 yes
  C50    N51    C54    131.5(4)      1_555  1_555    1_555 yes
  C52    N51    C54    94.71(23)     1_555  1_555    1_555 yes
  S47    C52    N51    109.93(31)    1_555  1_555    1_555 yes
  S47    C52    C53    115.25(29)    1_555  1_555    1_555 yes
  N51    C52    C53    87.63(19)     1_555  1_555    1_555 yes
  S47    C52    H76    116.4(9)      1_555  1_555    1_555 yes
  N51    C52    H76    102.7(9)      1_555  1_555    1_555 yes
  C53    C52    H76    119.2(6)      1_555  1_555    1_555 yes
  C52    C53    C54    85.22(21)     1_555  1_555    1_555 yes
  C52    C53    N59    118.8(4)      1_555  1_555    1_555 yes
  C54    C53    N59    113.0(4)      1_555  1_555    1_555 yes
  C52    C53    H77    107.5(5)      1_555  1_555    1_555 yes
  C54    C53    H77    103.5(10)     1_555  1_555    1_555 yes
  N59    C53    H77    121.9(8)      1_555  1_555    1_555 yes
  N51    C54    C53    91.99(23)     1_555  1_555    1_555 yes
  N51    C54    O55    131.3(4)      1_555  1_555    1_555 yes
  C53    C54    O55    134.5(4)      1_555  1_555    1_555 yes
  C50    C56    O57    117.3(4)      1_555  1_555    1_555 yes
  C50    C56    O58    119.4(4)      1_555  1_555    1_555 yes
  O57    C56    O58    122.9(4)      1_555  1_555    1_555 yes
  C56    O57    H78    126.1(12)     1_555  1_555    1_555 yes
  C53    N59    C60    122.7(4)      1_555  1_555    1_555 yes
  C53    N59    H79    106.1(9)      1_555  1_555    1_555 yes
  C60    N59    H79    128.8(10)     1_555  1_555    1_555 yes
  N59    C60    O61    123.32(25)    1_555  1_555    1_555 yes
  N59    C60    C62    115.25(20)    1_555  1_555    1_555 yes
  O61    C60    C62    121.36(22)    1_555  1_555    1_555 yes
  C60    C62    N63    108.4(4)      1_555  1_555    1_555 yes
  C60    C62    C64    111.7(4)      1_555  1_555    1_555 yes
  N63    C62    C64    113.0(4)      1_555  1_555    1_555 yes
  C60    C62    H80    99.8(9)       1_555  1_555    1_555 yes
  N63    C62    H80    117.9(7)      1_555  1_555    1_555 yes
  C64    C62    H80    105.4(8)      1_555  1_555    1_555 yes
  C62    N63    H81    94.9(7)       1_555  1_555    1_555 yes
  C62    N63    H82    101.9(9)      1_555  1_555    1_555 yes
  H81    N63    H82    98.1(10)      1_555  1_555    1_555 yes
  C62    C64    C65    120.6(3)      1_555  1_555    1_555 yes
  C62    C64    C69    121.2(3)      1_555  1_555    1_555 yes
  C65    C64    C69    118.11(17)    1_555  1_555    1_555 yes
  C64    C65    C66    121.06(16)    1_555  1_555    1_555 yes
  C64    C65    H83    113.3(9)      1_555  1_555    1_555 yes
  C66    C65    H83    119.8(10)     1_555  1_555    1_555 yes
  C65    C66    C67    119.95(18)    1_555  1_555    1_555 yes
  C65    C66    H84    113.2(11)     1_555  1_555    1_555 yes
  C67    C66    H84    121.7(9)      1_555  1_555    1_555 yes
  C66    C67    C68    119.49(25)    1_555  1_555    1_555 yes
  C66    C67    O70    119.0(4)      1_555  1_555    1_555 yes
  C68    C67    O70    120.0(4)      1_555  1_555    1_555 yes
  C67    C68    C69    119.64(18)    1_555  1_555    1_555 yes
  C67    C68    H85    128.1(9)      1_555  1_555    1_555 yes
  C69    C68    H85    112.2(9)      1_555  1_555    1_555 yes
  C64    C69    C68    121.16(16)    1_555  1_555    1_555 yes
  C64    C69    H86    110.2(9)      1_555  1_555    1_555 yes
  C68    C69    H86    126.9(8)      1_555  1_555    1_555 yes
  C67    O70    H87    98.5(10)      1_555  1_555    1_555 yes
  C49    C71    C72    128.20(30)    1_555  1_555    1_555 yes
  C71    C72    C73    125.6(4)      1_555  1_555    1_555 yes
  C71    C72    H89    142.6(8)      1_555  1_555    1_555 yes
  C73    C72    H89    19.0(8)       1_555  1_555    1_555 yes
  C72    C73    H89    21.8(11)      1_555  1_555    1_555 yes
  H36    H78    O57    139.5(9)      1_555  1_555    1_555 yes
  H41    H80    C62    135.4(7)      2_656  1_555    1_555 yes
  C72    H89    C73    139.2(16)     1_555  1_555    1_555 yes
  H95    O93    H96    84.0(14)      1_555  1_555    1_555 yes
  H97    O94    H98    148.5(19)     1_555  1_555    1_555 yes
  O93    H95    H96    43.3(13)      1_555  1_555    1_555 yes
  O93    H96    H95    52.7(9)       1_555  1_555    1_555 yes

# Difference density results
_refine_diff_density_max  1.330
_refine_diff_density_min  -0.870
_pd_proc_ls_pref_orient_corr
;
Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,-2) = -0.158(6); 0:0:C(2,0) = 0.275(5); 
    0:0:C(2,2) = -0.243(6); 
;
_pd_proc_ls_profile_function
;
Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    1.163, -0.126, 0.063, 0.000, 0.000, 0.002, 
  Crystallite size in microns with "isotropic" model:
  parameters: Size, G/L mix
    1.000, 1.000, 
  Microstrain, "generalized" model (10^6^ * delta Q/Q)
  parameters: S400, S040, S004, S220, S202, S022, S301, S103, S121, G/L mix
    505.914, 271.471, 108.452, -222.635, 31.718, -29.647, -72.683, 
    -46.610, 38.320, 1.000, 

;
# GSAS-II edited template follows Instrument_Template
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
; ?
;

# 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
; ?
;
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
; ?
;

_diffrn_source                    ?       
_diffrn_source_target             ?
_diffrn_source_type               ?
_diffrn_measurement_device_type   ?       
_diffrn_detector                  ?       
_diffrn_detector_type             ?       # make or model of detector

_pd_meas_scan_method              ?       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection        ?        
_computing_data_reduction         ?                   

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   ?        

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           ?
_pd_instr_dist_mono/spec          ?
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          ?

# 10. Specimen size and mounting information

# 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

_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'


_diffrn_radiation_wavelength  0.41334
_refine_ls_R_F_factor        0.05160
_refine_ls_R_Fsqd_factor     0.06718
_pd_proc_ls_prof_R_factor     0.07329
_pd_proc_ls_prof_wR_factor    0.09267
_gsas_proc_ls_prof_R_B_factor   0.07507
_gsas_proc_ls_prof_wR_B_factor  0.09758
_pd_proc_ls_prof_wR_expected  0.04835
_diffrn_radiation_probe  x-ray
_diffrn_radiation_polarisn_ratio  0.9900
_pd_proc_ls_background_function
;
Background function: "chebyschev" function with 3 terms:
    293(13), -28(24), -86(12), 
  Background Debye function parameters: A, R, U:
    -3.31(28), 0.180, 0.100, 
    2.41(19), 0.540, 0.100, 
    2.08(26), 0.940, 0.100, 
    -1.86(16), 1.450, 0.100, 
;
_diffrn_ambient_temperature  295
_diffrn_ambient_pressure  100

# STRUCTURE FACTOR TABLE
_reflns_number_total  2407
_reflns_limit_h_min  10
_reflns_limit_h_max  10
_reflns_limit_k_min  5
_reflns_limit_k_max  5
_reflns_limit_l_min  -5
_reflns_limit_l_max  -5
_reflns_d_resolution_low    11.265
_reflns_d_resolution_high   0.955

# POWDER DATA TABLE
_pd_meas_2theta_range_min  0.50000
_pd_meas_2theta_range_max  49.99010
_pd_meas_2theta_range_inc  0.00100
_pd_meas_number_of_points  49497

loop_
   _pd_meas_intensity_total
   _pd_calc_intensity_total
   _pd_proc_intensity_bkg_calc
   _pd_proc_ls_weight
  398.20454    0            0           0         
  386.82853    0            0           0         
  370.76014    0            0           0         
  337.61658    0            0           0         
  332.32831    0            0           0         
  401.63344    0            0           0         
  389.82626    0            0           0         
  373.30845    0            0           0         
  360.17847    0            0           0         
  387.25392    0            0           0         
  362.47737    0            0           0         
  356.46349    0            0           0         
  398.69329    0            0           0         
  398.8566     0            0           0         
  402.14647    0            0           0         
  380.22142    0            0           0         
  378.14476    0            0           0         
  351.92208    0            0           0         
  373.73146    0            0           0         
  424.56898    0            0           0         
  401.29673    0            0           0         
  386.01633    0            0           0         
  367.11074    0            0           0         
  323.12452    0            0           0         
  396.56559    0            0           0         
  407.72502    0            0           0         
  360.28704    0            0           0         
  356.7022     0            0           0         
  396.45908    0            0           0         
  373.35402    0            0           0         
  383.92043    0            0           0         
  417.18304    0            0           0         
  388.50479    0            0           0         
  382.52714    0            0           0         
  400.50865    0            0           0         
  369.88974    0            0           0         
  346.15224    0            0           0         
  358.1031     0            0           0         
  341.35       0            0           0         
  378.78291    0            0           0         
  361.45043    0            0           0         
  353.27251    0            0           0         
  356.57672    0            0           0         
  336.28251    0            0           0         
  381.29299    0            0           0         
  377.83808    0            0           0         
  367.28242    0            0           0         
  351.5826     0            0           0         
  340.1197     0            0           0         
  362.98002    0            0           0         
  402.60077    0            0           0         
  400.70844    0            0           0         
  335.08447    0            0           0         
  333.2233     0            0           0         
  343.24993    0            0           0         
  371.00886    0            0           0         
  382.28071    0            0           0         
  329.31805    0            0           0         
  406.22667    0            0           0         
  364.38375    0            0           0         
  372.75221    0            0           0         
  373.36825    0            0           0         
  396.00594    0            0           0         
  359.08141    0            0           0         
  352.26999    0            0           0         
  373.98249    0            0           0         
  339.19139    0            0           0         
  329.9613     0            0           0         
  324.44018    0            0           0         
  353.0202     0            0           0         
  385.24891    0            0           0         
  438.65565    0            0           0         
  375.86947    0            0           0         
  423.84216    0            0           0         
  335.13322    0            0           0         
  396.034      0            0           0         
  361.74378    0            0           0         
  359.33611    0            0           0         
  335.84827    0            0           0         
  340.1117     0            0           0         
  372.24711    0            0           0         
  346.98673    0            0           0         
  376.21281    0            0           0         
  361.05469    0            0           0         
  409.97214    0            0           0         
  379.82049    0            0           0         
  340.19243    0            0           0         
  326.77259    0            0           0         
  386.18063    0            0           0         
  389.85951    0            0           0         
  335.29832    0            0           0         
  378.56997    0            0           0         
  347.91282    0            0           0         
  317.4365     0            0           0         
  355.45681    0            0           0         
  355.63574    0            0           0         
  374.68843    0            0           0         
  384.10755    0            0           0         
  359.51538    0            0           0         
  383.95417    0            0           0         
  372.11435    0            0           0         
  377.18407    0            0           0         
  348.793      0            0           0         
  348.42793    0            0           0         
  372.60802    0            0           0         
  368.57634    0            0           0         
  369.18849    0            0           0         
  364.73988    0            0           0         
  364.85405    0            0           0         
  394.29605    0            0           0         
  374.28546    0            0           0         
  369.34736    0            0           0         
  333.05919    0            0           0         
  306.44918    0            0           0         
  360.51415    0            0           0         
  370.75421    0            0           0         
  322.09286    0            0           0         
  287.61522    0            0           0         
  290.92537    0            0           0         
  311.35345    0            0           0         
  349.7742     0            0           0         
  336.78489    0            0           0         
  376.33834    0            0           0         
  335.23753    0            0           0         
  369.4411     0            0           0         
  362.74785    0            0           0         
  362.43634    0            0           0         
  365.48655    0            0           0         
  342.40762    0            0           0         
  361.07181    0            0           0         
  385.11363    0            0           0         
  392.60324    0            0           0         
  377.01484    0            0           0         
  298.06027    0            0           0         
  325.3283     0            0           0         
  352.1949     0            0           0         
  371.70768    0            0           0         
  388.33453    0            0           0         
  343.24964    0            0           0         
  389.12485    0            0           0         
  350.42051    0            0           0         
  375.12237    0            0           0         
  312.247      0            0           0         
  336.53773    0            0           0         
  294.47914    0            0           0         
  339.82249    0            0           0         
  349.38412    0            0           0         
  310.63131    0            0           0         
  345.67782    0            0           0         
  312.9324     0            0           0         
  306.14362    0            0           0         
  347.67935    0            0           0         
  400.00763    0            0           0         
  375.69367    0            0           0         
  386.77356    0            0           0         
  341.28659    0            0           0         
  273.45722    0            0           0         
  274.41226    0            0           0         
  303.57858    0            0           0         
  312.94949    0            0           0         
  325.58965    0            0           0         
  340.3716     0            0           0         
  364.6286     0            0           0         
  333.39993    0            0           0         
  325.57981    0            0           0         
  340.41928    0            0           0         
  368.67574    0            0           0         
  318.18739    0            0           0         
  373.81381    0            0           0         
  321.79266    0            0           0         
  352.8918     0            0           0         
  347.77947    0            0           0         
  333.99186    0            0           0         
  343.92996    0            0           0         
  300.77034    0            0           0         
  364.60197    0            0           0         
  334.59632    0            0           0         
  331.1124     0            0           0         
  320.7289     0            0           0         
  362.81383    0            0           0         
  346.7681     0            0           0         
  364.26658    0            0           0         
  414.84772    0            0           0         
  323.13837    0            0           0         
  334.69395    0            0           0         
  357.48478    0            0           0         
  325.87538    0            0           0         
  357.33027    0            0           0         
  312.009      0            0           0         
  354.74684    0            0           0         
  321.09916    0            0           0         
  320.06043    0            0           0         
  358.55978    0            0           0         
  334.3424     0            0           0         
  315.49816    0            0           0         
  296.4518     0            0           0         
  346.00611    0            0           0         
  362.61701    0            0           0         
  323.30579    0            0           0         
  348.94088    0            0           0         
  348.93343    0            0           0         
  371.48029    0            0           0         
  350.90657    0            0           0         
  298.57184    0            0           0         
  349.14943    0            0           0         
  320.56466    0            0           0         
  324.27486    0            0           0         
  311.73605    0            0           0         
  294.75737    0            0           0         
  361.26763    0            0           0         
  316.06343    0            0           0         
  343.80586    0            0           0         
  351.2908     0            0           0         
  353.07719    0            0           0         
  385.42056    0            0           0         
  366.69318    0            0           0         
  345.83893    0            0           0         
  331.17779    0            0           0         
  371.75037    0            0           0         
  282.52149    0            0           0         
  314.94948    0            0           0         
  348.99928    0            0           0         
  322.13376    0            0           0         
  364.37818    0            0           0         
  384.29303    0            0           0         
  332.29396    0            0           0         
  325.20156    0            0           0         
  357.95062    0            0           0         
  377.36827    0            0           0         
  295.71333    0            0           0         
  296.87072    0            0           0         
  332.94553    0            0           0         
  319.39007    0            0           0         
  315.8386     0            0           0         
  329.73443    0            0           0         
  340.81902    0            0           0         
  286.65853    0            0           0         
  315.92001    0            0           0         
  327.75358    0            0           0         
  326.52782    0            0           0         
  291.65871    0            0           0         
  316.11499    0            0           0         
  318.33411    0            0           0         
  317.83637    0            0           0         
  317.32962    0            0           0         
  340.1762     0            0           0         
  357.00349    0            0           0         
  316.71475    0            0           0         
  306.01508    0            0           0         
  325.55676    0            0           0         
  333.95171    0            0           0         
  343.36185    0            0           0         
  325.68182    0            0           0         
  320.0709     0            0           0         
  292.3768     0            0           0         
  374.101      0            0           0         
  326.23793    0            0           0         
  258.64056    0            0           0         
  340.02471    0            0           0         
  334.17354    0            0           0         
  309.01325    0            0           0         
  330.8131     0            0           0         
  340.77306    0            0           0         
  362.7625     0            0           0         
  337.65736    0            0           0         
  347.8798     0            0           0         
  345.49981    0            0           0         
  342.71084    0            0           0         
  329.42938    0            0           0         
  330.10831    0            0           0         
  325.32969    0            0           0         
  307.56574    0            0           0         
  332.77908    0            0           0         
  311.43752    0            0           0         
  319.1862     0            0           0         
  346.67889    0            0           0         
  319.72017    0            0           0         
  284.28494    0            0           0         
  360.04832    0            0           0         
  366.75578    0            0           0         
  336.25156    0            0           0         
  320.64496    0            0           0         
  313.91941    0            0           0         
  343.17526    0            0           0         
  280.14724    0            0           0         
  338.96262    0            0           0         
  357.32113    0            0           0         
  344.61363    0            0           0         
  332.85153    0            0           0         
  282.99751    0            0           0         
  317.09703    0            0           0         
  336.54486    0            0           0         
  346.69379    0            0           0         
  326.17606    0            0           0         
  325.8301     0            0           0         
  340.57565    0            0           0         
  331.77564    0            0           0         
  344.43283    0            0           0         
  338.38857    0            0           0         
  308.83025    0            0           0         
  309.41682    0            0           0         
  346.72191    0            0           0         
  341.56708    0            0           0         
  292.91975    0            0           0         
  321.67825    0            0           0         
  325.26411    0            0           0         
  347.11182    0            0           0         
  356.44237    0            0           0         
  316.35978    0            0           0         
  321.27586    0            0           0         
  314.2136     0            0           0         
  287.45043    0            0           0         
  291.49745    0            0           0         
  301.61613    0            0           0         
  317.71448    0            0           0         
  355.57655    0            0           0         
  276.81113    0            0           0         
  314.97089    0            0           0         
  328.64302    0            0           0         
  361.1802     0            0           0         
  363.67685    0            0           0         
  370.53423    0            0           0         
  313.32259    0            0           0         
  296.71753    0            0           0         
  314.05395    0            0           0         
  347.32713    0            0           0         
  351.81287    0            0           0         
  311.14071    0            0           0         
  323.66186    0            0           0         
  291.97696    0            0           0         
  300.88634    0            0           0         
  256.34219    0            0           0         
  317.98878    0            0           0         
  349.58973    0            0           0         
  315.61368    0            0           0         
  339.97355    0            0           0         
  337.94887    0            0           0         
  372.39508    0            0           0         
  369.89861    0            0           0         
  315.25879    0            0           0         
  302.61186    0            0           0         
  307.22405    0            0           0         
  311.49553    0            0           0         
  312.15954    0            0           0         
  305.82041    0            0           0         
  308.40299    0            0           0         
  368.59444    0            0           0         
  371.38256    0            0           0         
  331.87332    0            0           0         
  321.721      0            0           0         
  343.33127    0            0           0         
  331.93502    0            0           0         
  347.52713    0            0           0         
  346.75075    0            0           0         
  366.46081    0            0           0         
  338.14026    0            0           0         
  334.39312    0            0           0         
  345.13025    0            0           0         
  313.03464    0            0           0         
  301.24002    0            0           0         
  304.9576     0            0           0         
  336.00083    0            0           0         
  301.08017    0            0           0         
  327.35311    0            0           0         
  341.97024    0            0           0         
  318.16461    0            0           0         
  334.58588    0            0           0         
  308.8148     0            0           0         
  314.06573    0            0           0         
  318.96983    0            0           0         
  298.03251    0            0           0         
  335.16871    0            0           0         
  307.65818    0            0           0         
  338.7867     0            0           0         
  354.69118    0            0           0         
  314.24924    0            0           0         
  367.84661    0            0           0         
  328.2866     0            0           0         
  368.11468    0            0           0         
  323.28788    0            0           0         
  331.01584    0            0           0         
  361.45472    0            0           0         
  323.6635     0            0           0         
  361.57521    0            0           0         
  360.38982    0            0           0         
  315.60492    0            0           0         
  317.2937     0            0           0         
  301.49113    0            0           0         
  309.51452    0            0           0         
  328.95877    0            0           0         
  348.15404    0            0           0         
  335.94456    0            0           0         
  329.41308    0            0           0         
  350.40229    0            0           0         
  302.91023    0            0           0         
  343.92854    0            0           0         
  300.26943    0            0           0         
  310.2294     0            0           0         
  321.00854    0            0           0         
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  200.41332    139.1189     134.95652   0.00255246 
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  157.2126     140.2761     135.48316   0.00323012 
  145.81228    140.34096    135.5109    0.00351108 
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  150.16015    183.39719    140.28618   0.00342044 
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  318.27118    433.30482    141.77748   0.00159416 
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  315.68282    550.76115    141.9184    0.0016095 
  368.67625    582.96417    141.94659   0.00138299 
  382.9828     619.25758    141.97478   0.001322  
  338.38167    660.39959    142.00298   0.00149579 
  404.09245    707.35331    142.03117   0.00125033 
  481.22376    761.3845     142.05937   0.0010524 
  542.87019    824.31804    142.08756   0.00093465 
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  1172.19933   1763.19829   142.25678   0.00043089 
  1437.38729   2188.85266   142.28499   0.00035109 
  1916.44055   2785.86353   142.3132    0.0002636 
  2671.64417   3591.51706   142.34141   0.00019009 
  3946.2227    4620.95147   142.36962   0.00012841 
  5304.99881   5850.37902   142.39784   0.0000953 
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  12222.88874  12022.60274  142.62361   0.00004138 
  13534.08124  13314.23393  142.65183   0.00003736 
  15009.98179  14813.674    142.68006   0.00003364 
  16542.14711  16206.24801  142.70829   0.00003051 
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  18724.02722  17731.71621  142.76476   0.00002696 
  19414.68296  17969.72821  142.793     0.00002604 
  19268.02213  18036.10056  142.82123   0.0000262 
  19107.30785  17816.55336  142.84947   0.0000264 
  18305.00674  17007.17286  142.87771   0.00002758 
  16954.10996  15419.03656  142.90595   0.00002979 
  14701.78681  13226.31985  142.93419   0.00003438 
  12492.2219   10826.78635  142.96244   0.00004051 
  9765.52783   8558.59169   142.99068   0.00005184 
  7298.23102   6609.83739   143.01893   0.00006943 
  5141.28546   5045.27575   143.04718   0.00009862 
  3600.31562   3856.30074   143.07543   0.00014139 
  2502.79277   2990.82213   143.10368   0.00020286 
  1852.29812   2378.97878   143.13193   0.00027374 
  1376.59385   1951.62823   143.16018   0.00036828 
  1104.18301   1650.09745   143.18844   0.00045963 
  902.15069    1431.20077   143.2167    0.00056013 
  840.18926    1265.71595   143.24495   0.00060217 
  735.50531    1135.28638   143.27321   0.00068881 
  617.71554    1028.9424    143.30147   0.0008184 
  597.63625    939.98696    143.32974   0.00084723 
  532.53584    864.31306    143.358     0.0009495 
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  447.8482     742.57824    143.41453   0.00113097 
  416.49733    693.09993    143.4428    0.0012121 
  358.96187    649.55607    143.47107   0.00142184 
  354.35534    611.04985    143.49934   0.00143584 
  337.19013    576.82024    143.52761   0.00150735 
  328.6022     546.24782    143.55588   0.00154985 
  292.74427    518.84186    143.58416   0.00172315 
  284.53572    494.16605    143.61243   0.00177714 
  304.99466    471.8801     143.64071   0.00166756 
  284.42734    451.675      143.66899   0.00177537 
  267.44759    433.3033     143.69727   0.0018834 
  279.4166     416.54959    143.72555   0.00180994 
  249.70272    401.22365    143.75383   0.00203509 
  231.63477    387.17472    143.78212   0.00219558 
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  259.73601    351.37327    143.86698   0.00195275 
  244.75629    341.20557    143.89527   0.00206049 
  245.42783    331.78152    143.92356   0.00206841 
  248.76576    323.02716    143.95185   0.00202388 
  227.40793    314.8816     143.98014   0.00222964 
  260.07139    307.29024    144.00844   0.00194889 
  250.98278    300.2016     144.03673   0.0020168 
  210.92839    293.57547    144.06503   0.00241758 
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  223.54275    281.5521     144.12163   0.00225589 
  238.85237    276.089      144.14993   0.00211714 
  228.37034    270.95323    144.17823   0.00222394 
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  235.41242    261.5632     144.23484   0.00214107 
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  224.25346    253.20611    144.29146   0.00223681 
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  198.52759    235.93569    144.43301   0.00255974 
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  181.17392    194.4331     145.05623   0.00279328 
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  212.87422    186.51424    145.283     0.00237984 
  154.0154     185.67579    145.31135   0.00330795 
  183.64905    184.86594    145.3397    0.00276323 
  179.71575    184.08387    145.36805   0.00281249 
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  157.1395     171.6304     146.02049   0.00321274 
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  155.58169    169.90168    146.1624    0.003261  
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  139.78487    163.1114     147.09965   0.00360965 
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  136.46241    161.55068    147.58287   0.00376063 
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  146.75583    161.3268     147.72504   0.00345618 
  146.1729     161.27845    147.75348   0.00349835 
  161.53326    161.2329     147.78192   0.00318476 
  175.98332    161.19013    147.81036   0.00292097 
  135.59201    161.15011    147.8388    0.00376141 
  142.53364    161.11286    147.86724   0.00357821 
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  162.65291    161.0465     147.92412   0.00310611 
  142.64496    161.01739    147.95257   0.00354942 
  123.16703    160.99098    147.98101   0.00414937 
  137.41966    160.96726    148.00945   0.00370229 
  146.76084    160.94622    148.0379    0.0034643 
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  174.30758    160.91221    148.09479   0.00290447 
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  142.06806    160.89323    148.35085   0.00358632 
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  153.53118    160.91945    148.40777   0.00326576 
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  172.67609    160.98039    148.49314   0.00291556 
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  144.58193    161.22894    148.69237   0.00348641 
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  165.24201    161.79414    148.94857   0.00306141 
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  135.85211    162.05355    149.03398   0.00375438 
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  140.16011    163.09343    149.29026   0.00362382 
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  146.60003    163.38706    149.34722   0.00351109 
  174.15834    163.54376    149.3757    0.00291202 
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  140.2847     166.93121    149.80297   0.00361687 
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  157.4828     168.28935    149.91694   0.00321438 
  182.38754    168.67075    149.94543   0.002761  
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  150.68405    169.49076    150.00242   0.0033729 
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  135.92534    174.40954    150.25888   0.00375945 
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  194.76141    224.45061    151.00002   0.00260373 
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  227.9677     301.7821     151.25664   0.002214  
  253.14599    317.71842    151.28516   0.00200437 
  255.62126    336.37357    151.31367   0.00197767 
  291.90861    358.39127    151.34219   0.0017307 
  308.31213    384.67767    151.37071   0.00164553 
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  441.29858    579.28157    151.48478   0.00114588 
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  621.63887    852.46966    151.54182   0.0008152 
  854.36792    1123.26293   151.57034   0.00059544 
  1116.05453   1556.53227   151.59886   0.00045515 
  1644.19582   2218.37076   151.62738   0.0003095 
  2395.09136   3161.83906   151.6559    0.00021182 
  3453.52294   4395.17436   151.68442   0.00014699 
  5025.94943   5844.12689   151.71294   0.00010111 
  6710.09169   7318.10365   151.74146   0.00007544 
  8405.42957   8481.57972   151.76998   0.00006013 
  9808.55973   8930.28705   151.79851   0.00005145 
  10033.63285  8464.78178   151.82703   0.00005032 
  8892.84217   7291.4726    151.85555   0.00005694 
  6847.50189   5815.30433   151.88407   0.0000743 
  4732.56354   4369.17151   151.9126    0.00010801 
  3100.80172   3141.0656    151.94112   0.00016471 
  1969.91644   2203.32459   151.96965   0.00026063 
  1309.74492   1546.50709   151.99817   0.00038878 
  945.95579    1117.02247   152.0267    0.00053966 
  698.91457    848.76567    152.05522   0.00072643 
  545.80761    683.11219    152.08375   0.00093182 
  442.04156    578.04243    152.11227   0.00115121 
  374.28535    507.22536    152.1408    0.0013572 
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  331.69265    416.40913    152.19785   0.00152162 
  333.00318    384.66453    152.22638   0.00151744 
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  278.33437    336.59725    152.28344   0.00182463 
  251.55602    318.03569    152.31197   0.00201187 
  263.35385    302.182      152.34049   0.00192668 
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  245.43385    257.34091    152.45461   0.00206711 
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  247.64892    242.3013     152.51167   0.0020442 
  203.24701    236.01609    152.5402    0.002515  
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  193.39223    225.36096    152.59726   0.0026202 
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  157.35269    172.52997    153.5389    0.003196  
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  165.35703    171.69294    153.59598   0.00306666 
  145.04684    171.30658    153.62451   0.00349041 
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  174.08421    164.85682    154.96586   0.00288994 
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  165.9203     164.93246    155.27979   0.00305124 
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  221.30535    217.34789    186.81199   0.002933  
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  408.24524    549.33635    190.02788   0.001584  
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  1347.25754   1512.88119   190.36127   0.0004798 
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  4372.68803   4101.578     190.48929   0.00014826 
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  8856.44567   8412.4192    190.56606   0.00007308 
  10756.34442  10336.83262  190.59164   0.00006008 
  12432.33621  12290.8785   190.61721   0.000052  
  14066.95879  13993.2144   190.64278   0.00004597 
  15129.24764  15157.65959  190.66835   0.00004269 
  15830.47751  15719.76536  190.69391   0.00004076 
  16210.02742  15916.91628  190.71947   0.00003979 
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  12569.72742  11805.04695  190.89824   0.0000514 
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  4091.49522   4277.1498    191.0003    0.00015838 
  3048.53916   3266.49859   191.02581   0.00021298 
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  1179.70282   1468.67328   191.12778   0.00054853 
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  2071.17333   1870.99367   211.90262   0.00031203 
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  333.98365    398.33283    232.32582   0.002347  
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  392.60996    444.96905    232.3576    0.00201184 
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  829.27358    811.39701    232.43149   0.00095176 
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  1166.92074   1003.29615   232.97835   0.00067438 
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  444.88944    503.97012    233.07904   0.00177034 
  413.9587     489.73418    233.08907   0.0019052 
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  351.13066    433.00284    233.16899   0.00223818 
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  341.24714    438.94123    233.27806   0.00231637 
  353.11644    442.9965     233.28793   0.0022308 
  364.5043     447.69246    233.29779   0.00216236 
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  349.0305     466.04802    233.32732   0.00224764 
  379.01237    473.78143    233.33715   0.00207523 
  386.89723    482.4495     233.34697   0.00202617 
  392.14425    492.1559     233.35678   0.0020078 
  382.50995    503.02159    233.36659   0.00205693 
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  416.12786    544.14767    233.39596   0.00190339 
  436.80124    561.42059    233.40573   0.00180863 
  450.4609     580.95012    233.41549   0.00174915 
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  483.36639    628.69908    233.435     0.00163511 
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  552.67035    693.02046    233.45448   0.00142063 
  602.73185    734.72276    233.4642    0.00131001 
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  778.78956    850.20001    233.48363   0.00101242 
  860.82227    932.89745    233.49333   0.00091569 
  987.01755    1040.80413   233.50303   0.00079954 
  1228.81103   1182.35886   233.51272   0.00064496 
  1449.27666   1366.70154   233.52239   0.00054384 
  1627.08264   1603.04613   233.53206   0.00048306 
  1986.65736   1898.75134   233.54173   0.00039617 
  2381.4883    2257.06487   233.55138   0.00033073 
  2723.7623    2673.64106   233.56103   0.0002892 
  3065.33851   3129.44989   233.57067   0.00025623 
  3454.81676   3585.28181   233.5803    0.0002273 
  3685.83812   3983.09606   233.58992   0.00021312 
  4007.01064   4272.96964   233.59954   0.00019643 
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  3516.18644   3336.66072   233.73333   0.00022342 
  3843.9567    3563.2909    233.74283   0.00020495 
  4407.6878    4016.72438   233.75232   0.00017885 
  5009.13222   4724.08568   233.7618    0.000157  
  5753.97831   5694.07046   233.77127   0.00013687 
  6756.66827   6903.00225   233.78074   0.00011669 
  7809.27209   8270.37732   233.7902    0.000101  
  8722.29082   9633.76136   233.79965   0.0000903 
  9656.47496   10733.55358  233.80909   0.00008134 
  10380.57597  11295.04531  233.81852   0.00007565 
  10780.4055   11230.61541  233.82795   0.00007292 
  11206.17337  10751.75141  233.83737   0.0000702 
  11454.03762  10215.88266  233.84678   0.0000687 
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  11500.95973  10389.00305  233.87496   0.00006833 
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  2458.09551   2622.37936   234.00556   0.00032031 
  2391.57775   2731.772     234.01483   0.00032916 
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  2855.66329   2890.88464   234.42378   0.0002752 
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  3149.9078    2888.64426   234.75673   0.00024969 
  2746.34733   2523.07779   234.76534   0.000287  
  2422.88537   2189.59663   234.77394   0.0003251 
  2118.37502   1896.75706   234.78253   0.00037176 
  1798.06429   1646.18361   234.79112   0.00043874 
  1553.59947   1436.09317   234.79969   0.00050748 
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  383.8137     464.08973    234.94431   0.00205025 
  388.4427     451.34412    234.95274   0.00202881 
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  384.80515    429.15216    234.96959   0.00203878 
  358.0098     419.4557     234.97801   0.00220628 
  339.73927    410.54795    234.98641   0.00233444 
  313.50255    402.3438     234.99481   0.00251386 
  317.37103    394.77325    235.0032    0.00248769 
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  320.71064    381.28081    235.01995   0.00246623 
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  310.2636     369.63559    235.03668   0.00254963 
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  278.59393    350.65043    235.07003   0.00283517 
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  315.45787    342.84013    235.08666   0.00251373 
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  325.48647    297.32296    235.25123   0.00241987 
  303.35913    296.0047     235.25938   0.00260614 
  276.21549    294.79439    235.26752   0.00285555 
  313.49984    293.58097    235.27565   0.0025144 
  292.2946     292.416      235.28377   0.00270045 
  313.12744    291.2972     235.29189   0.00250158 
  289.96869    290.22203    235.3       0.0026936 
  298.05449    289.18831    235.3081    0.00264051 
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  255.21403    285.42896    235.34042   0.00309966 
  281.42729    284.57465    235.34848   0.00278444 
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  280.73391    282.95755    235.36457   0.00279705 
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  293.13121    281.45471    235.38064   0.00268986 
  305.54905    280.74299    235.38866   0.00257785 
  287.80741    280.05596    235.39668   0.00273236 
  318.88959    279.39323    235.40468   0.00246011 
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  230.19957    272.18628    235.51595   0.00342539 
  273.88532    271.7942     235.52383   0.00290717 
  330.16481    271.41587    235.53172   0.00240227 
  296.96531    271.05087    235.53959   0.00265634 
  290.10516    270.71061    235.54745   0.00271675 
  282.55514    270.37103    235.55531   0.00278715 
  293.65212    270.04389    235.56316   0.00268077 
  305.16267    269.72877    235.571     0.00257107 
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  277.30249    268.89143    235.59448   0.00284209 
  271.832      268.62163    235.60229   0.00288622 
  264.66254    268.36254    235.6101    0.00298532 
  254.59528    268.11393    235.61789   0.00308758 
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  299.95805    267.6473     235.63346   0.0026261 
  278.33758    267.42905    235.64123   0.00283009 
  286.67096    267.2206     235.649     0.00276908 
  273.7537     267.02177    235.65675   0.00289788 
  276.86037    266.83244    235.6645    0.00285419 
  306.66155    266.65243    235.67224   0.00256193 
  267.27743    266.48179    235.67997   0.00295427 
  269.89817    266.32032    235.6877    0.00290362 
  279.08762    266.16796    235.69542   0.00282263 
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  269.57708    265.64794    235.72621   0.00293395 
  259.14119    265.54012    235.73389   0.00305515 
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  281.3269     265.1329     235.77216   0.00280643 
  291.01791    265.0779     235.77979   0.00271394 
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  298.35461    264.94784    235.81024   0.00263461 
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  282.46152    265.76603    235.91584   0.00280576 
  325.23947    265.90432    235.92332   0.00242762 
  283.72669    266.05515    235.9308    0.00276576 
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  276.26394    267.01489    235.96806   0.0028723 
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  278.57348    267.5043     235.98291   0.00282781 
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  269.42879    268.36731    236.00513   0.00290704 
  282.49523    268.69247    236.01252   0.00279475 
  300.04763    269.03783    236.0199    0.00263062 
  308.54075    269.40442    236.02728   0.00256765 
  278.19585    269.79332    236.03465   0.00283303 
  257.7456     270.25781    236.04201   0.00305762 
  283.6206     270.69492    236.04936   0.00279115 
  297.9718     271.15807    236.0567    0.00264288 
  303.39069    271.64883    236.06404   0.0025882 
  286.44871    272.16875    236.07137   0.00272056 
  272.41589    272.71945    236.07869   0.00288918 
  292.80228    273.30307    236.086     0.00268081 
  293.24443    273.92166    236.09331   0.00269467 
  267.85116    274.57764    236.1006    0.00294467 
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  282.23798    277.63015    236.12972   0.00281574 
  269.91986    278.51757    236.13698   0.00295979 
  252.04728    279.46237    236.14423   0.00313171 
  280.46185    280.46997    236.15147   0.0028188 
  276.35446    281.54614    236.15871   0.00287255 
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  284.80615    285.25717    236.18037   0.00276907 
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  345.34671    351.52884    236.29471   0.00227474 
  345.99804    362.0066     236.30179   0.00228672 
  365.15431    372.54588    236.30886   0.00215935 
  353.51035    382.08039    236.31593   0.00223434 
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  361.01883    393.5519     236.33004   0.00217957 
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  387.06487    411.13218    236.39314   0.00204421 
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  421.29756    432.61961    236.40707   0.00187394 
  422.3405     446.86989    236.41403   0.00186277 
  464.3316     463.85375    236.42098   0.00169056 
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  631.2682     570.36485    236.4487    0.00124118 
  692.16937    610.89864    236.45561   0.00113686 
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  855.01255    717.12167    236.46941   0.00091742 
  978.40469    785.86369    236.4763    0.00080524 
  1019.63986   867.24309    236.48317   0.00077388 
  1163.62663   962.69796    236.49005   0.00067619 
  1235.90929   1073.40776   236.49691   0.0006353 
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  1424.48267   1340.14543   236.51062   0.0005532 
  1573.5419    1491.29588   236.51746   0.00050038 
  1660.06428   1646.35835   236.52429   0.00047427 
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  2445.78143   2520.56616   236.61915   0.00032202 
  2467.91335   2494.31449   236.62587   0.00031845 
  2416.42582   2396.39667   236.63258   0.00032527 
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  1959.35954   1565.01006   236.65934   0.00040119 
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  314.97478    264.38122    237.07083   0.00250172 
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  368.49439    379.87153    238.38879   0.002138  
  318.21051    369.42923    238.39307   0.0024802 
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  339.72614    352.03094    238.40162   0.00233824 
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  805.3167     803.11525    238.9396    0.00097723 
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  1059.77813   1061.66958   238.94601   0.00074285 
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  1473.63357   1493.31677   238.95239   0.00053577 
  1749.39964   1792.98856   238.95557   0.00045045 
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  2607.30262   2568.92801   238.96191   0.0003031 
  2954.33264   3022.50962   238.96507   0.00026649 
  3327.53098   3474.60514   238.96822   0.00023631 
  3639.13115   3860.13481   238.97136   0.00021627 
  3859.41944   4096.1057    238.9745    0.00020366 
  3907.49378   4116.88701   238.97763   0.00020177 
  3911.55424   3915.98424   238.98075   0.000201  
  3622.68503   3551.14715   238.98386   0.0002172 
  3277.14191   3105.78107   238.98697   0.0002399 
  2879.73626   2649.556     238.99007   0.0002733 
  2399.50258   2225.73415   238.99316   0.00033002 
  1925.79379   1855.16297   238.99625   0.00040825 
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  933.04861    942.01031    239.00852   0.00084737 
  750.52499    824.35642    239.01157   0.00105241 
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  294.70354    349.29427    239.07686   0.00266509 
  286.93184    346.86582    239.07974   0.0027747 
  276.83269    344.8602     239.08262   0.00285918 
  319.34734    343.26432    239.08549   0.0024809 
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  340.58517    348.7623     239.11381   0.00230511 
  327.36155    351.78254    239.1166    0.00240462 
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  1008.78536   829.14476    239.16298   0.00078421 
  1113.10983   967.3035     239.16565   0.00070863 
  1275.10273   1135.93965   239.1683    0.00061822 
  1429.0151    1333.12885   239.17095   0.00055047 
  1580.13169   1550.03507   239.1736    0.00049809 
  1652.59995   1767.93263   239.17623   0.00047645 
  1846.87642   1954.6648    239.17886   0.00042685 
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  2013.94326   2018.52655   239.1867    0.00039061 
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  2171.81424   1775.81696   239.1919    0.00036304 
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  2073.89365   2412.21042   239.21239   0.00037939 
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  1385.48945   1240.15226   239.22496   0.00056811 
  1158.3765    1024.64059   239.22746   0.00067959 
  1030.72194   856.84002    239.22994   0.00076305 
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  761.00268    644.99992    239.2349    0.00103376 
  632.04785    585.03501    239.23736   0.00124875 
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  621.70997    731.15648    239.28519   0.001266  
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  636.21246    541.58671    239.35166   0.00124074 
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  940.56182    740.01704    239.35797   0.00083792 
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  1106.37613   883.37368    239.36213   0.00071223 
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  1159.02153   1126.59919   239.38852   0.00067738 
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  1482.41169   1454.69143   239.39248   0.00053054 
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  1714.81421   1950.28198   239.41184   0.00045899 
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  302.4963     292.13       239.47082   0.00260708 
  311.2278     290.08733    239.47249   0.002534  
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  841.82145    754.75001    239.65637   0.00093574 
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  1210.21636   1044.76956   239.65844   0.00065142 
  1314.38399   1169.1528    239.65894   0.00059895 
  1452.07037   1313.57731   239.65944   0.00054115 
  1517.28447   1472.45586   239.65993   0.00051962 
  1540.4569    1634.94144   239.66041   0.00051324 
  1680.50454   1785.65444   239.66088   0.00046885 
  1710.94552   1910.54131   239.66135   0.00045986 
  1754.54861   2004.85921   239.66181   0.00044844 
  1892.58634   2076.46519   239.66227   0.00041653 
  1940.79848   2138.56495   239.66271   0.00040559 
  2019.42738   2199.32048   239.66316   0.00039019 
  2041.88534   2254.16361   239.66359   0.00038645 
  2012.98091   2285.29863   239.66402   0.00039096 
  2051.09062   2269.08977   239.66444   0.00038338 
  2025.11627   2189.95571   239.66486   0.00038847 
  2030.05282   2052.32662   239.66527   0.00038805 
  1920.6708    1878.08187   239.66567   0.00040925 
  1734.42459   1694.26273   239.66606   0.00045345 
  1553.89832   1522.44451   239.66645   0.00050766 
  1395.17175   1376.27244   239.66684   0.00056495 
  1314.73993   1262.72009   239.66721   0.00059965 
  1197.44221   1184.34351   239.66758   0.00065815 
  1128.2897    1140.86811   239.66794   0.0006983 
  1101.8201    1129.59943   239.6683    0.00071637 
  1004.32123   1145.2953    239.66865   0.00078422 
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  1094.96365   1218.55376   239.66933   0.00072046 
  1112.14073   1244.92846   239.66966   0.00070892 
  1085.87914   1240.50723   239.66998   0.00072529 
  1014.56874   1196.02795   239.6703    0.00077882 
  1025.57693   1116.39489   239.67061   0.00076977 
  998.17312    1016.1466    239.67091   0.00078979 
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  794.92921    720.30821    239.67178   0.0009933 
  735.223      643.70266    239.67206   0.00107363 
  633.78979    580.24194    239.67233   0.00124876 
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  478.09119    455.72276    239.67311   0.00165527 
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  267.9757     276.90679    239.67781   0.003435  
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  281.29733    274.87547    239.67782   0.00325442 
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  278.44892    271.75581    239.67767   0.00330131 
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  250.64614    269.55289    239.66591   0.003669  
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  1522.48189   1419.67139   239.60139   0.00060197 
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  2030.31874   1926.80169   239.59942   0.00045085 
  2411.70926   2214.90471   239.59843   0.00038056 
  2757.44953   2495.18642   239.59743   0.00033217 
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  4080.12125   3984.10903   239.54983   0.00022385 
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  3243.92334   3006.44531   239.54474   0.00028181 
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  2478.35079   2201.45383   239.54085   0.0003694 
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  2015.74247   2011.26764   236.98541   0.00045426 
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  265.90733    298.17725    234.22853   0.003466  
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#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
