# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2017

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

data_B1
_database_code_depnum_ccdc_archive 'CCDC 1527308'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2017-01-08T15:25|B1|Uribe-Romo|MiniFlex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2017-01-08T15:25

#=============================================================================
# 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           2017-01-08T15:25
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     56
_refine_ls_goodness_of_fit_all   7.727

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.13306
_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        MIL-125-NHCyp
_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_diffrn    ?
_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 MIL-125-NHCy_I4ommm_1 follows
_pd_phase_name                   MIL-125-NHCy_I4ommm_1
_cell_length_a                   18.682(29)
_cell_length_b                   18.682(29)
_cell_length_c                   18.204(28)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6354(29)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.21(14) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -1.90(28) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.7(6) 32
C4 C 0.30217 0.93329 0.69222 0.130 Uiso 0.2(5) 32
C5 C 0.58820 0.82561 0.43721 0.130 Uiso -0.21(26) 32
C6 C 0.37916 0.88802 0.85220 0.130 Uiso 3(15) 32
C7 C 0.31342 0.06390 0.86465 0.130 Uiso 2(7) 32
C8 C 0.25565 0.01497 0.64698 0.130 Uiso 1.1(10) 32
C9 C 0.33560 0.18912 0.59104 0.130 Uiso 1.3(27) 32
C10 C 0.75712 0.23074 0.77128 0.130 Uiso 0.03(16) 32
C11 C 0.59342 -0.00855 0.73518 0.130 Uiso 0.2(4) 32
C12 C 0.20446 0.47491 0.60749 0.130 Uiso 2(5) 32
C13 C 0.27116 0.64652 0.39613 0.130 Uiso -1.1(4) 32
C14 C 0.28758 0.56509 0.40627 0.130 Uiso -1.5(4) 32
C17 C 0.16070 0.51362 0.34431 0.130 Uiso 1.0(15) 32
C18 C 0.09583 0.48902 0.36810 0.130 Uiso 3(7) 32
C19 C 0.70362 0.47390 0.79381 0.130 Uiso 1.4(19) 32
C20 C 0.70127 0.45018 0.74503 0.130 Uiso -0.1(4) 32
Ti22 Ti 0.20830 0.07400 0.50000 0.500 Uiso -0.05(12) 16
O23 O 0.31110 0.05800 0.50000 0.500 Uiso 0.23(19) 16
C24 C 0.46333 0.06514 0.50000 0.500 Uiso 0.44(26) 16
N25 N 0.42348 0.12294 0.50000 0.130 Uiso -2.5(4) 16
O26 O 0.18190 0.00000 0.42650 0.500 Uiso 0.23(15) 16
O27 O 0.10740 0.10740 0.50000 0.250 Uiso -0.07(26) 8
C28 C 0.35070 0.00000 0.50000 0.250 Uiso -1.4(4) 8
C29 C 0.42650 0.00000 0.50000 0.250 Uiso -3.8(4) 8
C30 C 0.19400 0.19400 0.40230 0.500 Uiso 0.12(20) 16
C31 C 0.22250 0.22250 0.32090 0.500 Uiso 0.08(17) 16
O32 O 0.0529(26) 0.05291 0.3249(27) 0.83(8) Uiso 0.253 16
O33 O 0.00000 0.00000 -3.196(7) 0.95(11) Uiso 0.253 4
O38 O 0.00000 0.50000 0.25000 0.43(14) Uiso 0.253 4

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 94.56
N 10.08
O 68.767
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C2.955 N0.315 O2.149 Ti0.25'
_chemical_formula_weight         86.26

# 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
O1 Ti22 1.89837 1_555 1_555 yes
O1 C30 1.19149 1_555 1_555 yes
C2 C2 1.42235 1_555 32_555 yes
C2 N3 1.37694 1_555 1_555 yes
C2 C10 1.42646 1_555 10_566 yes
C2 C10 1.66829 1_555 15_656 yes
C2 C10 1.51434 1_555 18_544 yes
C2 C10 1.24292 1_555 23_454 yes
C2 C31 1.39782 1_555 1_555 yes
N3 C2 1.37694 1_555 1_555 yes
N3 C4 1.36126 1_555 12_656 yes
N3 C6 1.5086 1_555 21_544 yes
C4 N3 1.36126 1_555 10_566 yes
C4 C8 1.5388 1_555 7_565 yes
C5 C6 1.89556 1_555 18_654 yes
C5 C7 1.41519 1_555 24_554 yes
C5 C9 1.53842 1_555 9_666 yes
C5 C12 1.53878 1_555 16_666 yes
C5 N25 1.50933 1_555 3_665 yes
C6 N3 1.5086 1_555 21_555 yes
C6 C5 1.89556 1_555 20_465 yes
C6 C7 1.53836 1_555 7_565 yes
C7 C5 1.41519 1_555 24_445 yes
C7 C6 1.53836 1_555 7_565 yes
C7 C12 0.94578 1_555 25_556 yes
C7 C12 1.76995 1_555 31_546 yes
C7 C17 1.57106 1_555 19_555 yes
C7 C17 1.11947 1_555 21_545 yes
C8 C4 1.5388 1_555 7_565 yes
C8 C8 0.55934 1_555 7_555 yes
C8 C19 1.64176 1_555 27_446 yes
C8 C19 1.46625 1_555 29_456 yes
C9 C5 1.53842 1_555 9_666 yes
C9 C13 1.58594 1_555 12_656 yes
C10 C2 1.42646 1_555 12_656 yes
C10 C2 1.66829 1_555 15_656 yes
C10 C2 1.51434 1_555 20_555 yes
C10 C2 1.24292 1_555 23_555 yes
C10 C10 1.09053 1_555 25_656 yes
C10 C10 1.04229 1_555 30_546 yes
C10 C31 1.72759 1_555 12_656 yes
C10 C31 1.41337 1_555 20_555 yes
C11 O38 1.77329 1_555 10_556 yes
C12 C5 1.53878 1_555 16_666 yes
C12 C7 0.94578 1_555 25_556 yes
C12 C7 1.76995 1_555 31_556 yes
C12 C12 0.93746 1_555 7_565 yes
C12 C14 1.74141 1_555 13_566 yes
C12 C17 1.40045 1_555 11_556 yes
C12 C17 1.21827 1_555 13_566 yes
C13 C9 1.58594 1_555 10_566 yes
C13 C14 1.56283 1_555 1_555 yes
C14 C12 1.74141 1_555 13_566 yes
C14 C13 1.56283 1_555 1_555 yes
C17 C7 1.57106 1_555 19_554 yes
C17 C7 1.11947 1_555 21_554 yes
C17 C12 1.40045 1_555 11_556 yes
C17 C12 1.21827 1_555 13_566 yes
C17 C17 0.5089 1_555 7_565 yes
C17 C18 1.36655 1_555 1_555 yes
C17 C18 1.2879 1_555 7_565 yes
C18 C17 1.36655 1_555 1_555 yes
C18 C17 1.2879 1_555 7_565 yes
C19 C8 1.64176 1_555 27_556 yes
C19 C8 1.46625 1_555 29_556 yes
C19 C19 0.9752 1_555 7_565 yes
C19 C20 0.99341 1_555 1_555 yes
C19 C20 1.67397 1_555 7_565 yes
C20 C19 0.99341 1_555 1_555 yes
C20 C19 1.67397 1_555 7_565 yes
C20 C20 1.86147 1_555 7_565 yes
Ti22 O1 1.89837 1_555 1_555 yes
Ti22 O1 1.89837 1_555 11_556 yes
Ti22 Ti22 2.76493 1_555 7_555 yes
Ti22 O23 1.94363 1_555 1_555 yes
Ti22 O26 1.98614 1_555 1_555 yes
Ti22 O26 1.98614 1_555 11_556 yes
Ti22 O27 1.9856 1_555 1_555 yes
O23 Ti22 1.94363 1_555 1_555 yes
O23 C28 1.31202 1_555 1_555 yes
C24 C24 1.37014 1_555 5_655 yes
C24 N25 1.31158 1_555 1_555 yes
C24 C29 1.39799 1_555 1_555 yes
N25 C5 1.50933 1_555 3_665 yes
N25 C5 1.50933 1_555 9_666 yes
N25 C24 1.31158 1_555 1_555 yes
O26 Ti22 1.98614 1_555 1_555 yes
O26 Ti22 1.98614 1_555 7_555 yes
O27 Ti22 1.9856 1_555 1_555 yes
O27 Ti22 1.9856 1_555 8_555 yes
C28 O23 1.31202 1_555 1_555 yes
C28 O23 1.31202 1_555 7_555 yes
C28 C29 1.41609 1_555 1_555 yes
C29 C24 1.39799 1_555 1_555 yes
C29 C24 1.39799 1_555 7_555 yes
C29 C28 1.41609 1_555 1_555 yes
C30 O1 1.19149 1_555 1_555 yes
C30 O1 1.19149 1_555 8_555 yes
C30 C31 1.66217 1_555 1_555 yes
C31 C2 1.39782 1_555 1_555 yes
C31 C2 1.39782 1_555 8_555 yes
C31 C10 1.72759 1_555 10_566 yes
C31 C10 1.72759 1_555 15_656 yes
C31 C10 1.41337 1_555 18_544 yes
C31 C10 1.41337 1_555 23_454 yes
C31 C30 1.66217 1_555 1_555 yes
O38 C11 1.77329 1_555 10_566 yes
O38 C11 1.77329 1_555 12_556 yes
O38 C11 1.77329 1_555 14_556 yes
O38 C11 1.77329 1_555 16_566 yes
O38 C11 1.77329 1_555 17_454 yes
O38 C11 1.77329 1_555 19_554 yes
O38 C11 1.77329 1_555 21_554 yes
O38 C11 1.77329 1_555 23_454 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
Ti22 O1 C30 135.689 1_555 1_555 1_555 yes
C2 C2 N3 120.002 32_555 1_555 1_555 yes
C2 C2 C10 51.735 32_555 1_555 10_566 yes
N3 C2 C10 159.315 1_555 1_555 10_566 yes
C2 C2 C10 69.152 32_555 1_555 18_544 yes
N3 C2 C10 157.043 1_555 1_555 18_544 yes
C10 C2 C10 43.405 10_566 1_555 18_544 yes
C2 C2 C10 64.303 32_555 1_555 23_454 yes
N3 C2 C10 153.988 1_555 1_555 23_454 yes
C10 C2 C10 45.321 10_566 1_555 23_454 yes
C10 C2 C10 7.143 18_544 1_555 23_454 yes
C2 C2 C31 123.419 32_555 1_555 1_555 yes
N3 C2 C31 116.545 1_555 1_555 1_555 yes
C10 C2 C31 75.416 10_566 1_555 1_555 yes
C10 C2 C31 57.903 18_544 1_555 1_555 yes
C10 C2 C31 64.404 23_454 1_555 1_555 yes
C2 N3 C4 124.924 1_555 1_555 12_656 yes
C2 N3 C6 139.341 1_555 1_555 21_544 yes
C4 N3 C6 91.674 12_656 1_555 21_544 yes
N3 C4 C8 129.401 10_566 1_555 7_565 yes
C7 C5 C9 87.48 24_554 1_555 9_666 yes
C7 C5 C12 37.048 24_554 1_555 16_666 yes
C9 C5 C12 117.835 9_666 1_555 16_666 yes
C7 C5 N25 139.727 24_554 1_555 3_665 yes
C9 C5 N25 120.057 9_666 1_555 3_665 yes
C12 C5 N25 121.481 16_666 1_555 3_665 yes
N3 C6 C7 114.621 21_555 1_555 7_565 yes
C5 C7 C6 79.732 24_445 1_555 7_565 yes
C5 C7 C12 78.593 24_445 1_555 25_556 yes
C6 C7 C12 143.958 7_565 1_555 25_556 yes
C5 C7 C17 120.557 24_445 1_555 21_545 yes
C6 C7 C17 95.532 7_565 1_555 21_545 yes
C12 C7 C17 71.739 25_556 1_555 21_545 yes
C4 C8 C8 128.914 7_565 1_555 7_555 yes
C4 C8 C19 83.794 7_565 1_555 29_456 yes
C8 C8 C19 98.153 7_555 1_555 29_456 yes
C2 C10 C2 136.595 12_656 1_555 20_555 yes
C2 C10 C2 63.962 12_656 1_555 23_555 yes
C2 C10 C2 115.247 20_555 1_555 23_555 yes
C2 C10 C10 72.592 12_656 1_555 25_656 yes
C2 C10 C10 64.004 20_555 1_555 25_656 yes
C2 C10 C10 91.037 23_555 1_555 25_656 yes
C2 C10 C10 57.987 12_656 1_555 30_546 yes
C2 C10 C10 79.109 20_555 1_555 30_546 yes
C2 C10 C10 76.691 23_555 1_555 30_546 yes
C10 C10 C10 17.105 25_656 1_555 30_546 yes
C2 C10 C31 121.965 12_656 1_555 20_555 yes
C2 C10 C31 56.912 20_555 1_555 20_555 yes
C2 C10 C31 63.119 23_555 1_555 20_555 yes
C10 C10 C31 86.238 25_656 1_555 20_555 yes
C10 C10 C31 88.067 30_546 1_555 20_555 yes
C5 C12 C7 64.358 16_666 1_555 25_556 yes
C5 C12 C12 140.014 16_666 1_555 7_565 yes
C7 C12 C12 140.051 25_556 1_555 7_565 yes
C5 C12 C17 120.923 16_666 1_555 11_556 yes
C7 C12 C17 81.588 25_556 1_555 11_556 yes
C12 C12 C17 58.91 7_565 1_555 11_556 yes
C5 C12 C17 105.704 16_666 1_555 13_566 yes
C7 C12 C17 60.765 25_556 1_555 13_566 yes
C12 C12 C17 79.87 7_565 1_555 13_566 yes
C17 C12 C17 20.96 11_556 1_555 13_566 yes
C7 C17 C12 88.506 21_554 1_555 11_556 yes
C7 C17 C12 47.496 21_554 1_555 13_566 yes
C12 C17 C12 41.221 11_556 1_555 13_566 yes
C7 C17 C17 147.044 21_554 1_555 7_565 yes
C12 C17 C17 58.91 11_556 1_555 7_565 yes
C12 C17 C17 100.13 13_566 1_555 7_565 yes
C7 C17 C18 124.082 21_554 1_555 1_555 yes
C12 C17 C18 98.364 11_556 1_555 1_555 yes
C12 C17 C18 115.214 13_566 1_555 1_555 yes
C17 C17 C18 70.348 7_565 1_555 1_555 yes
C7 C17 C18 109.106 21_554 1_555 7_565 yes
C12 C17 C18 108.593 11_556 1_555 7_565 yes
C12 C17 C18 113.328 13_566 1_555 7_565 yes
C17 C17 C18 87.805 7_565 1_555 7_565 yes
C18 C17 C18 17.457 1_555 1_555 7_565 yes
C17 C18 C17 21.846 1_555 1_555 7_565 yes
C8 C19 C19 81.847 29_556 1_555 7_565 yes
C8 C19 C20 138.563 29_556 1_555 1_555 yes
C19 C19 C20 116.492 7_565 1_555 1_555 yes
O1 Ti22 O1 89.168 1_555 1_555 11_556 yes
O1 Ti22 O23 86.279 1_555 1_555 1_555 yes
O1 Ti22 O23 86.279 11_556 1_555 1_555 yes
O1 Ti22 O26 92.922 1_555 1_555 1_555 yes
O1 Ti22 O26 175.39 11_556 1_555 1_555 yes
O23 Ti22 O26 97.951 1_555 1_555 1_555 yes
O1 Ti22 O26 175.39 1_555 1_555 11_556 yes
O1 Ti22 O26 92.922 11_556 1_555 11_556 yes
O23 Ti22 O26 97.951 1_555 1_555 11_556 yes
O26 Ti22 O26 84.703 1_555 1_555 11_556 yes
O1 Ti22 O27 86.981 1_555 1_555 1_555 yes
O1 Ti22 O27 86.981 11_556 1_555 1_555 yes
O23 Ti22 O27 170.531 1_555 1_555 1_555 yes
O26 Ti22 O27 89.026 1_555 1_555 1_555 yes
O26 Ti22 O27 89.026 11_556 1_555 1_555 yes
Ti22 O23 C28 133.17 1_555 1_555 1_555 yes
C24 C24 N25 124.584 5_655 1_555 1_555 yes
C24 C24 C29 119.484 5_655 1_555 1_555 yes
N25 C24 C29 115.932 1_555 1_555 1_555 yes
C5 N25 C5 98.458 3_665 1_555 9_666 yes
C5 N25 C24 127.327 3_665 1_555 1_555 yes
C5 N25 C24 127.327 9_666 1_555 1_555 yes
Ti22 O26 Ti22 88.223 1_555 1_555 7_555 yes
Ti22 O27 Ti22 126.631 1_555 1_555 8_555 yes
O23 C28 O23 111.353 1_555 1_555 7_555 yes
O23 C28 C29 124.324 1_555 1_555 1_555 yes
O23 C28 C29 124.324 7_555 1_555 1_555 yes
C24 C29 C24 121.033 1_555 1_555 7_555 yes
C24 C29 C28 119.484 1_555 1_555 1_555 yes
C24 C29 C28 119.484 7_555 1_555 1_555 yes
O1 C30 O1 129.866 1_555 1_555 8_555 yes
C2 C31 C2 113.143 1_555 1_555 8_555 yes
C2 C31 C10 65.185 1_555 1_555 18_544 yes
C2 C31 C10 52.477 8_555 1_555 18_544 yes
C2 C31 C10 52.477 1_555 1_555 23_454 yes
C2 C31 C10 65.185 8_555 1_555 23_454 yes
C10 C31 C10 13.031 18_544 1_555 23_454 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -0.59(22); 
;
_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
    -1.3(10)e3, 3(4)e2, 34(26), 13.3462, 31.4829, 0.0667(5), 
  Crystallite size model "isotropic" for MIL-125-NHCy_I4ommm_1 (microns)
  parameters: Size, G/L mix
    0.735170, 1.000, 
  Mustrain model "isotropic" for MIL-125-NHCy_I4ommm_1 (10^6^)
    parameters: Mustrain, G/L mix
    170.501, 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.14831
_refine_ls_R_Fsqd_factor         0.30104
_pd_proc_ls_prof_R_factor        0.07869
_pd_proc_ls_prof_wR_factor       0.13306
_gsas_proc_ls_prof_R_B_factor    0.07777
_gsas_proc_ls_prof_wR_B_factor   0.13659
_pd_proc_ls_prof_wR_expected     0.01749 # GOF = 7.60
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 0.3(17)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    9.6(4)e2, -7.6(10)e2, 1.25(17)e3, -1.4(4)e3, 7.1(17)e2, 45(4), 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             92
_reflns_limit_h_min              7
_reflns_limit_h_max              7
_reflns_limit_k_min              2
_reflns_limit_k_max              2
_reflns_limit_l_min              3
_reflns_limit_l_max              3
_reflns_d_resolution_low         13.210
_reflns_d_resolution_high        2.364

# POWDER DATA TABLE
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        1.23753
_pd_proc_2theta_range_max        38.21753
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1850

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
3933 0 0 0
4210 0 0 0
4176 0 0 0
4069 0 0 0
4170 0 0 0
4318 0 0 0
4398 0 0 0
4406 0 0 0
4514 0 0 0
4620 0 0 0
4696 0 0 0
4690 0 0 0
4564 0 0 0
4616 0 0 0
4730 0 0 0
4894 0 0 0
5230 0 0 0
5377 0 0 0
4995 0 0 0
4640 0 0 0
4827 0 0 0
4957 0 0 0
4993 0 0 0
5045 0 0 0
4909 0 0 0
5158 0 0 0
4996 0 0 0
4894 0 0 0
4956 0 0 0
5038 0 0 0
5119 0 0 0
5044 0 0 0
4857 0 0 0
5035 0 0 0
5139 0 0 0
5056 0 0 0
5019 0 0 0
5117 0 0 0
5100 0 0 0
5048 0 0 0
5036 0 0 0
4917 0 0 0
5042 0 0 0
5084 0 0 0
4927 0 0 0
5098 0 0 0
5163 0 0 0
5075 0 0 0
5054 0 0 0
5165 0 0 0
5251 5137.20652 5014.70434 0.00019044
5062 5127.81766 5003.56938 0.00019755
5070 5118.48948 4992.45716 0.000197239
5132 5109.22311 4981.36767 0.000194856
5061 5100.01963 4970.30086 0.000197589
5055 5090.88027 4959.2567 0.000197824
4931 5081.80619 4948.23517 0.000202799
5083 5072.79871 4937.23623 0.000196734
4950 5063.85914 4926.25986 0.00020202
5105 5054.98882 4915.30601 0.000195886
5072 5046.18924 4904.37466 0.000197161
5008 5037.46181 4893.46579 0.000199681
4954 5028.80814 4882.57934 0.000201857
5040 5020.22981 4871.71531 0.000198413
5139 5011.72848 4860.87365 0.00019459
5067 5003.30598 4850.05434 0.000197355
4966 4994.96404 4839.25733 0.000201369
4990 4986.7046 4828.48262 0.000200401
5010 4978.52965 4817.73015 0.000199601
4983 4970.44127 4806.9999 0.000200682
4838 4962.44159 4796.29185 0.000206697
4820 4954.53289 4785.60595 0.000207469
4735 4946.71752 4774.94218 0.000211193
4660 4938.99793 4764.30051 0.000214592
4893 4931.37673 4753.6809 0.000204374
4813 4923.8566 4743.08333 0.000207771
4858 4916.44038 4732.50777 0.000205846
4911 4909.13095 4721.95418 0.000203625
4787 4901.93149 4711.42254 0.000208899
4766 4894.84519 4700.9128 0.00020982
4774 4887.87547 4690.42495 0.000209468
4979 4881.02589 4679.95896 0.000200844
4793 4874.30025 4669.51478 0.000208638
4640 4867.70235 4659.09239 0.000215517
4656 4861.23642 4648.69176 0.000214777
4811 4854.90678 4638.31286 0.000207857
4727 4848.71795 4627.95567 0.000211551
4747 4842.67479 4617.62013 0.000210659
4672 4836.78233 4607.30624 0.000214041
4688 4831.04587 4597.01395 0.000213311
4590 4825.47106 4586.74324 0.000217865
4800 4820.06378 4576.49408 0.000208333
4552 4814.83037 4566.26643 0.000219684
4672 4809.77736 4556.06027 0.000214041
4825 4804.91178 4545.87556 0.000207254
4927 4800.241 4535.71227 0.000202963
4683 4795.77284 4525.57038 0.000213538
4744 4791.5156 4515.44985 0.000210793
4683 4787.47804 4505.35066 0.000213538
4571 4783.66955 4495.27277 0.000218771
4720 4780.09999 4485.21615 0.000211864
4586 4776.77983 4475.18077 0.000218055
4620 4773.72046 4465.16661 0.00021645
4587 4770.93369 4455.17362 0.000218007
4536 4768.43225 4445.20179 0.000220459
4760 4766.22983 4435.25108 0.000210084
4679 4764.34091 4425.32146 0.000213721
4810 4762.78102 4415.4129 0.0002079
4860 4761.56684 4405.52538 0.000205761
4773 4760.71623 4395.65885 0.000209512
4783 4760.24833 4385.81329 0.000209074
4833 4760.1838 4375.98867 0.000206911
4911 4760.54486 4366.18497 0.000203625
4810 4761.35542 4356.40214 0.0002079
4817 4762.64137 4346.64017 0.000207598
4764 4764.43071 4336.89901 0.000209908
4921 4766.7538 4327.17864 0.000203211
4829 4769.64359 4317.47904 0.000207082
4675 4773.13589 4307.80016 0.000213904
4651 4777.26989 4298.14198 0.000215008
4980 4782.08817 4288.50448 0.000200803
4779 4787.63758 4278.88761 0.000209249
4878 4793.96948 4269.29135 0.000205002
5099 4801.14044 4259.71568 0.000196117
5180 4809.21288 4250.16055 0.00019305
4961 4818.25634 4240.62595 0.000201572
5102 4828.34816 4231.11183 0.000196002
5184 4839.57503 4221.61818 0.000192901
5102 4852.0354 4212.14496 0.000196002
5000 4865.84189 4202.69214 0.0002
5286 4881.12499 4193.25969 0.000189179
5420 4898.03884 4183.84758 0.000184502
5205 4916.76837 4174.45579 0.000192123
5256 4939.19952 4165.08428 0.000190259
5326 4963.13801 4155.73302 0.000187758
5527 4988.93146 4146.40198 0.00018093
5462 5017.84275 4137.09114 0.000183083
5550 5050.42826 4127.80046 0.00018018
5470 5087.38072 4118.52991 0.000182815
5644 5129.54847 4109.27947 0.000177179
5799 5177.9488 4100.04911 0.000172444
5885 5233.77359 4090.83879 0.000169924
5989 5298.3804 4081.64848 0.000166973
6304 5373.27306 4072.47817 0.000158629
6095 5460.06819 4063.32781 0.000164069
6321 5567.92244 4054.19737 0.000158203
6457 5687.36663 4045.08684 0.000154871
6392 5819.94819 4035.99617 0.000156446
6536 5970.62903 4026.92535 0.000152999
6693 6140.10704 4017.87433 0.00014941
6985 6328.16284 4008.84309 0.000143164
7051 6533.47327 3999.83161 0.000141824
7371 6753.99346 3990.83984 0.000135667
7547 6988.2175 3981.86777 0.000132503
7473 7236.85887 3972.91536 0.000133815
7755 7503.65712 3963.98258 0.000128949
8175 7794.28391 3955.06941 0.000122324
8024 8113.69466 3946.17582 0.000124626
8410 8463.24582 3937.30177 0.000118906
8845 8838.85497 3928.44724 0.000113058
9341 9231.33198 3919.61219 0.000107055
9518 9629.8573 3910.7966 0.000105064
9814 10028.06397 3902.00045 0.000101895
10230 10429.20229 3893.22369 0.000097752
10572 10846.00871 3884.4663 0.000094589
11055 11294.54955 3875.72826 0.000090457
11566 11785.82211 3867.00952 0.00008646
11963 12319.64718 3858.31008 0.000083591
12422 12883.77913 3849.62988 0.000080502
12517 13459.69599 3840.96891 0.000079891
13179 14033.96887 3832.32714 0.000075878
13830 14608.81975 3823.70454 0.000072307
14306 15203.52008 3815.10107 0.000069901
14910 15844.33424 3806.51672 0.000067069
15596 16549.70364 3797.95144 0.000064119
16045 17319.89699 3789.40522 0.000062325
16998 18137.11291 3780.87802 0.00005883
17598 18977.43601 3772.36981 0.000056825
18771 19829.33259 3763.88057 0.000053274
19591 20705.87804 3755.41027 0.000051044
20743 21639.78981 3746.95887 0.000048209
21485 22663.9921 3738.52636 0.000046544
23082 23792.26181 3730.11269 0.000043324
24385 25014.09899 3721.71784 0.000041009
25125 26308.51949 3713.34179 0.000039801
27378 27668.38311 3704.9845 0.000036526
29070 29115.82821 3696.64594 0.0000344
30497 30693.80694 3688.3261 0.00003279
32996 32439.9751 3680.02493 0.000030307
35604 34365.87041 3671.7424 0.000028087
37782 36459.41519 3663.4785 0.000026468
40358 38706.92952 3655.2332 0.000024778
42676 41110.34317 3647.00645 0.000023432
45378 43677.91614 3638.79824 0.000022037
49036 46395.31822 3630.60853 0.000020393
51455 49206.20439 3622.43731 0.000019434
53776 52018.80326 3614.28453 0.000018596
55828 54722.1388 3606.15017 0.000017912
57893 57186.13854 3598.03421 0.000017273
59311 59247.24309 3589.93661 0.00001686
59815 60704.63652 3581.85734 0.000016718
61108 61339.45746 3573.79638 0.000016364
60436 60948.82242 3565.7537 0.000016546
58161 59391.90482 3557.72927 0.000017194
56802 56646.67919 3549.72307 0.000017605
53125 52850.68245 3541.73505 0.000018824
49814 48287.82215 3533.7652 0.000020075
45479 43317.06627 3525.81349 0.000021988
40455 38283.74266 3517.87989 0.000024719
35113 33459.21142 3509.96436 0.000028479
30419 29022.967 3502.06689 0.000032874
26229 25073.09289 3494.18744 0.000038126
22330 21646.29612 3486.32599 0.000044783
19122 18736.76185 3478.48251 0.000052296
16381 16310.86993 3470.65696 0.000061046
13838 14318.27878 3462.84933 0.000072265
12384 12700.35031 3455.05958 0.000080749
11521 11396.57162 3447.28768 0.000086798
9914 10349.23151 3439.53361 0.000100867
9203 9506.49421 3431.79734 0.00010866
8845 8824.03649 3424.07884 0.000113058
8373 8265.50717 3416.37809 0.000119432
8022 7802.13725 3408.69505 0.000124657
7407 7411.81955 3401.02969 0.000135007
7060 7077.95299 3393.38199 0.000141643
6705 6788.26805 3385.75193 0.000149142
6583 6533.7631 3378.13947 0.000151906
6625 6307.8233 3370.54458 0.000150943
6111 6105.5374 3362.96724 0.000163639
5907 5923.19215 3355.40742 0.000169291
5880 5757.91221 3347.86509 0.000170068
5472 5607.4176 3340.34022 0.000182749
5680 5469.85341 3332.83279 0.000176056
5463 5343.68215 3325.34277 0.00018305
4933 5227.60681 3317.87013 0.000202716
5032 5120.52032 3310.41484 0.000198728
5082 5021.46942 3302.97688 0.000196773
4861 4929.62541 3295.55621 0.000205719
5031 4848.11318 3288.15281 0.000198768
4658 4770.5595 3280.76666 0.000214684
4548 4696.40811 3273.39772 0.000219877
4506 4627.06312 3266.04596 0.000221926
4601 4562.09023 3258.71136 0.000217344
4312 4501.10388 3251.3939 0.000231911
4327 4443.76082 3244.09354 0.000231107
4309 4390.32784 3236.81025 0.000232072
4206 4339.39142 3229.54401 0.000237756
4311 4291.56109 3222.2948 0.000231965
4166 4246.04448 3215.06258 0.000240038
4179 4202.92762 3207.84732 0.000239292
4154 4162.03249 3200.649 0.000240732
4035 4123.19748 3193.46759 0.000247831
4076 4086.27655 3186.30307 0.000245339
3980 4051.13763 3179.15541 0.000251256
4009 4017.66073 3172.02457 0.000249439
3990 3985.73683 3164.91053 0.000250627
3964 3955.267 3157.81327 0.00025227
3803 3926.16106 3150.73276 0.00026295
3922 3898.33675 3143.66896 0.000254972
3919 3871.71935 3136.62186 0.000255167
3648 3846.24057 3129.59142 0.000274123
3734 3821.83829 3122.57762 0.000267809
3732 3798.45574 3115.58044 0.000267953
3637 3776.04134 3108.59983 0.000274952
3687 3754.54807 3101.63578 0.000271223
3748 3733.93323 3094.68826 0.000266809
3788 3714.15804 3087.75725 0.000263992
3748 3695.18751 3080.8427 0.000266809
3799 3676.99014 3073.94461 0.000263227
3534 3659.53754 3067.06294 0.000282965
3634 3642.80458 3060.19766 0.000275179
3513 3626.76898 3053.34874 0.000284657
3403 3611.41136 3046.51617 0.000293858
3582 3596.71515 3039.69991 0.000279174
3483 3582.66625 3032.89994 0.000287109
3656 3569.25351 3026.11622 0.000273523
3599 3556.46831 3019.34873 0.000277855
3481 3544.30459 3012.59746 0.000287274
3604 3532.75936 3005.86235 0.000277469
3467 3521.83243 2999.1434 0.000288434
3476 3511.5268 2992.44058 0.000287687
3494 3501.84888 2985.75385 0.000286205
3633 3492.8091 2979.08319 0.000275255
3510 3484.42245 2972.42858 0.0002849
3545 3476.70912 2965.78998 0.000282087
3340 3469.69599 2959.16737 0.000299401
3371 3463.41771 2952.56073 0.000296648
3438 3457.9182 2945.97002 0.000290867
3494 3453.2527 2939.39523 0.000286205
3488 3449.48952 2932.83631 0.000286697
3508 3446.71191 2926.29326 0.000285063
3483 3445.02 2919.76603 0.000287109
3452 3444.53193 2913.25461 0.000289687
3396 3445.38528 2906.75897 0.000294464
3640 3447.73773 2900.27907 0.000274725
3599 3451.76761 2893.8149 0.000277855
3503 3457.67384 2887.36643 0.00028547
3551 3465.67643 2880.93362 0.000281611
3487 3476.01398 2874.51647 0.000286779
3664 3488.93842 2868.11492 0.000272926
3621 3504.70534 2861.72898 0.000276167
3557 3523.55926 2855.35859 0.000281136
3694 3545.7253 2849.00375 0.000270709
3785 3571.42733 2842.66441 0.000264201
3826 3600.95298 2836.34056 0.00026137
3783 3634.75737 2830.03218 0.00026434
3791 3673.54546 2823.73922 0.000263783
3829 3718.24993 2817.46167 0.000261165
3988 3769.89239 2811.1995 0.000250752
4002 3829.37708 2804.95269 0.000249875
4142 3897.32318 2798.7212 0.000241429
4155 3974.02652 2792.50502 0.000240674
4037 4059.61654 2786.30411 0.000247709
4395 4154.36458 2780.11845 0.000227531
4285 4258.93455 2773.94802 0.000233372
4352 4374.31107 2767.79278 0.000229779
4522 4501.36354 2761.65271 0.000221141
4654 4640.37575 2755.52778 0.000214869
4778 4791.0094 2749.41798 0.000209293
5017 4952.93803 2743.32327 0.000199322
5274 5126.87872 2737.24362 0.000189609
5553 5315.31365 2731.17902 0.000180083
5547 5522.23195 2725.12943 0.000180278
6071 5751.97497 2719.09483 0.000164718
6324 6006.56632 2713.07519 0.000158128
6358 6285.12621 2707.07048 0.000157282
6741 6583.64199 2701.08069 0.000148346
7190 6896.66876 2695.10578 0.000139082
7519 7220.57837 2689.14574 0.000132996
7723 7555.90385 2683.20052 0.000129483
8338 7906.95491 2677.27011 0.000119933
8463 8279.22169 2671.35449 0.000118161
8893 8673.86941 2665.45362 0.000112448
9374 9088.29751 2659.56748 0.000106678
9687 9513.05451 2653.69604 0.000103231
10171 9935.47386 2647.83928 0.000098319
10524 10342.99318 2641.99718 0.000095021
10713 10728.7732 2636.1697 0.000093345
11354 11094.95096 2630.35682 0.000088075
11434 11450.93662 2624.55852 0.000087458
11992 11807.3799 2618.77476 0.000083389
11789 12169.52181 2613.00554 0.000084825
11968 12533.98303 2607.25081 0.000083556
11933 12890.38356 2601.51055 0.000083801
11975 13224.86415 2595.78474 0.000083507
11977 13520.65033 2590.07336 0.000083493
12138 13754.46832 2584.37637 0.000082386
12089 13893.45331 2578.69375 0.00008272
11922 13897.99774 2573.02548 0.000083879
12220 13730.97669 2567.37152 0.000081833
11903 13368.98546 2561.73187 0.000084012
11620 12811.18441 2556.10648 0.000086059
11338 12082.82926 2550.49533 0.000088199
10544 11231.18809 2544.89841 0.000094841
10199 10314.43436 2539.31567 0.000098049
9437 9388.60828 2533.74711 0.000105966
8459 8498.5114 2528.19269 0.000118217
7676 7674.62165 2522.65238 0.000130276
6936 6934.34302 2517.12617 0.000144175
6504 6284.93753 2511.61402 0.000153752
5773 5726.46821 2506.11592 0.00017322
5271 5254.16705 2500.63183 0.000189717
4878 4860.23968 2495.16173 0.000205002
4518 4535.22152 2489.7056 0.000221337
4419 4269.06527 2484.26341 0.000226296
3964 4051.91793 2478.83514 0.00025227
3889 3874.68438 2473.42075 0.000257136
3737 3729.36654 2468.02024 0.000267594
3408 3609.21433 2462.63356 0.000293427
3420 3508.72801 2457.2607 0.000292398
3507 3423.55947 2451.90163 0.000285144
3278 3350.3546 2446.55632 0.000305064
3302 3286.57425 2441.22475 0.000302847
3153 3230.31937 2435.9069 0.000317158
3204 3180.17617 2430.60274 0.00031211
3091 3135.08916 2425.31225 0.00032352
3190 3094.26161 2420.0354 0.00031348
3102 3057.08222 2414.77216 0.000322373
2992 3023.07186 2409.52252 0.000334225
3037 2991.84706 2404.28644 0.000329272
3046 2963.09421 2399.0639 0.000328299
3140 2936.55281 2393.85488 0.000318471
2948 2912.003 2388.65935 0.000339213
2836 2889.25791 2383.47729 0.000352609
2876 2868.15746 2378.30867 0.000347705
2949 2848.56384 2373.15347 0.000339098
2876 2830.35858 2368.01166 0.000347705
2792 2813.43971 2362.88322 0.000358166
2742 2797.71969 2357.76812 0.000364697
2886 2783.12391 2352.66635 0.0003465
2844 2769.58909 2347.57787 0.000351617
2746 2757.0625 2342.50265 0.000364166
2903 2745.50102 2337.44069 0.000344471
2818 2734.87045 2332.39194 0.000354862
2698 2725.14525 2327.35639 0.000370645
2840 2716.30831 2322.33402 0.000352113
2751 2708.35118 2317.32479 0.000363504
2728 2701.27436 2312.32868 0.000366569
2659 2695.0884 2307.34567 0.000376081
2804 2689.81501 2302.37574 0.000356633
2748 2685.74202 2297.41885 0.000363901
2635 2682.41812 2292.475 0.000379507
2784 2682.14662 2287.54414 0.000359195
2688 2681.07929 2282.62626 0.000372024
2562 2682.23377 2277.72133 0.00039032
2741 2683.92489 2272.82933 0.00036483
2731 2687.27749 2267.95023 0.000366166
2695 2692.54528 2263.08402 0.000371058
2726 2700.03523 2258.23066 0.000366838
2795 2710.11059 2253.39013 0.000357782
2776 2723.19184 2248.56241 0.000360231
2898 2739.75548 2243.74747 0.000345066
2911 2760.33012 2238.94529 0.000343525
2954 2785.49035 2234.15584 0.000338524
2883 2815.84545 2229.37911 0.000346861
2830 2852.02017 2224.61506 0.000353357
3057 2894.61961 2219.86368 0.000327118
3045 2944.90362 2215.12493 0.000328407
3251 3001.78565 2210.3988 0.000307598
3165 3066.49801 2205.68526 0.000315956
3200 3138.22803 2200.98428 0.0003125
3252 3217.20978 2196.29585 0.000307503
3431 3303.64532 2191.61994 0.00029146
3456 3398.47875 2186.95652 0.000289352
3549 3503.54341 2182.30557 0.00028177
3724 3621.25028 2177.66707 0.000268528
3829 3753.90058 2173.04099 0.000261165
4006 3902.91053 2168.42732 0.000249626
4245 4068.28717 2163.82602 0.000235571
4371 4248.68198 2159.23707 0.000228781
4454 4442.26287 2154.66045 0.000224517
4691 4648.24935 2150.09613 0.000213174
4996 4868.27357 2145.54409 0.00020016
4978 5106.45092 2141.00431 0.000200884
5476 5367.73423 2136.47677 0.000182615
5887 5655.27307 2131.96143 0.000169866
6129 5968.16043 2127.45828 0.000163159
6442 6300.83709 2122.9673 0.000155231
6817 6644.58346 2118.48845 0.000146692
7298 6990.19514 2114.02172 0.000137024
7686 7329.68458 2109.56708 0.000130107
8104 7655.25803 2105.12451 0.000123396
8592 7956.13277 2100.69398 0.000116387
8505 8215.93344 2096.27547 0.000117578
8941 8413.20491 2091.86897 0.000111844
9065 8525.20142 2087.47443 0.000110314
8929 8532.98154 2083.09185 0.000111995
9067 8426.02089 2078.7212 0.00011029
8622 8205.55111 2074.36245 0.000115982
8196 7885.56274 2070.01558 0.000122011
7719 7490.03391 2065.68057 0.00012955
7205 7047.63752 2061.3574 0.000138793
6283 6585.04704 2057.04604 0.00015916
5651 6123.20798 2052.74646 0.00017696
4922 5651.6723 2048.45865 0.000203169
4260 5217.11712 2044.18258 0.000234742
3720 4824.99696 2039.91823 0.000268817
3377 4466.34875 2035.66557 0.000296121
3225 4143.47553 2031.42459 0.000310078
3008 3857.42332 2027.19526 0.000332447
2864 3607.80921 2022.97755 0.000349162
2712 3392.85003 2018.77144 0.000368732
2584 3209.67104 2014.57692 0.000386997
2683 3054.75374 2010.39395 0.000372717
2480 2924.35769 2006.22251 0.000403226
2451 2814.83235 2002.06259 0.000407997
2359 2722.80786 1997.91415 0.000423908
2402 2645.29033 1993.77718 0.00041632
2323 2579.69192 1989.65165 0.000430478
2351 2523.82243 1985.53754 0.000425351
2199 2475.85985 1981.43482 0.000454752
2310 2434.3105 1977.34348 0.0004329
2185 2397.96546 1973.26349 0.000457666
2231 2365.85721 1969.19483 0.000448229
2175 2337.21857 1965.13747 0.00045977
2240 2311.44524 1961.09139 0.000446429
2228 2288.06286 1957.05658 0.000448833
2123 2269.35043 1953.033 0.000471032
2197 2249.73714 1949.02063 0.000455166
2178 2231.61645 1945.01946 0.000459137
2117 2216.138 1941.02945 0.000472367
2164 2200.48872 1937.05059 0.000462107
2050 2185.86726 1933.08285 0.000487805
2069 2172.16869 1929.12622 0.000483325
2121 2159.30429 1925.18066 0.000471476
2043 2147.19838 1921.24615 0.000489476
2057 2135.78593 1917.32268 0.000486145
2103 2125.0109 1913.41022 0.000475511
2045 2114.8249 1909.50875 0.000488998
2030 2105.18617 1905.61825 0.000492611
1929 2096.059 1901.73869 0.000518403
2039 2087.41304 1897.87004 0.000490436
2005 2079.22311 1894.0123 0.000498753
1882 2071.46892 1890.16543 0.00053135
1964 2064.13505 1886.32942 0.000509165
1990 2057.21108 1882.50424 0.000502513
1998 2050.69187 1878.68986 0.000500501
1936 2044.57781 1874.88628 0.000516529
1955 2038.87537 1871.09346 0.000511509
1943 2033.59753 1867.31138 0.000514668
1921 2028.76416 1863.54002 0.000520562
1937 2024.40268 1859.77935 0.000516262
1912 2020.54831 1856.02937 0.000523013
1925 2017.24457 1852.29003 0.000519481
1961 2014.54368 1848.56133 0.000509944
1909 2012.50682 1844.84324 0.000523834
2008 2011.20439 1841.13573 0.000498008
1889 2010.71542 1837.43879 0.000529381
1825 2011.12593 1833.75239 0.000547945
1938 2012.52531 1830.07652 0.000515996
1868 2015.00084 1826.41114 0.000535332
1887 2018.63235 1822.75624 0.000529942
1939 2023.49253 1819.11179 0.00051573
1922 2029.66043 1815.47778 0.000520291
1934 2037.25046 1811.85418 0.000517063
1870 2046.44523 1808.24097 0.000534759
2002 2057.5086 1804.63812 0.0004995
1958 2070.76076 1801.04562 0.000510725
1977 2086.51618 1797.46345 0.000505817
2008 2105.00267 1793.89158 0.000498008
1933 2126.28868 1790.32998 0.000517331
1967 2150.25294 1786.77865 0.000508388
2010 2176.63564 1783.23755 0.000497512
1946 2205.18478 1779.70667 0.000513875
1946 2235.84013 1776.18598 0.000513875
1938 2268.82576 1772.67546 0.000515996
1947 2304.54734 1769.17509 0.000513611
1972 2343.30903 1765.68485 0.000507099
2074 2384.98046 1762.20472 0.00048216
2119 2428.78086 1758.73467 0.000471921
2133 2473.29506 1755.27469 0.000468823
2095 2516.7291 1751.82475 0.000477327
2140 2557.29268 1748.38483 0.00046729
2232 2593.54416 1744.95491 0.000448029
2165 2624.58348 1741.53496 0.000461894
2202 2650.05798 1738.12497 0.000454133
2305 2669.98696 1734.72492 0.000433839
2330 2684.5187 1731.33478 0.000429185
2342 2693.24865 1727.95453 0.000426985
2512 2695.58419 1724.58416 0.000398089
2403 2690.34377 1721.22363 0.000416146
2431 2676.31623 1717.87293 0.000411353
2388 2654.2561 1714.53204 0.00041876
2374 2619.40336 1711.20093 0.00042123
2459 2574.48328 1707.87959 0.000406669
2378 2518.54918 1704.56799 0.000420521
2487 2454.84634 1701.26611 0.000402091
2379 2386.58812 1697.97393 0.000420345
2353 2317.2194 1694.69143 0.000424989
2323 2249.76125 1691.41859 0.000430478
2159 2188.34817 1688.15539 0.000463177
2144 2130.59616 1684.9018 0.000466418
2073 2079.0753 1681.65781 0.000482393
2023 2034.90451 1678.4234 0.000494315
1881 1995.98369 1675.19853 0.000531632
1931 1962.83105 1671.9832 0.000517866
1917 1934.88125 1668.77738 0.000521648
1752 1911.50347 1665.58105 0.000570776
1820 1892.05484 1662.39419 0.000549451
1750 1875.91972 1659.21678 0.000571429
1818 1862.53666 1656.04879 0.000550055
1765 1851.41437 1652.89021 0.000566572
1738 1842.13841 1649.74102 0.000575374
1655 1834.37048 1646.60119 0.00060423
1786 1827.84269 1643.47071 0.00055991
1717 1822.34883 1640.34955 0.000582411
1721 1817.73427 1637.23769 0.000581058
1786 1813.88628 1634.13511 0.00055991
1800 1810.72521 1631.0418 0.000555556
1752 1808.19727 1627.95773 0.000570776
1711 1806.26879 1624.88287 0.000584454
1713 1804.92218 1621.81722 0.000583771
1668 1804.1532 1618.76074 0.00059952
1746 1803.9695 1615.71342 0.000572738
1730 1804.39016 1612.67524 0.000578035
1710 1805.44624 1609.64618 0.000584795
1729 1807.18218 1606.62621 0.000578369
1724 1809.65816 1603.61532 0.000580046
1805 1812.9532 1600.61349 0.000554017
1770 1817.16927 1597.62069 0.000564972
1682 1822.43588 1594.6369 0.00059453
1808 1828.91557 1591.66211 0.000553097
1818 1836.8093 1588.69629 0.000550055
1823 1846.36219 1585.73943 0.000548546
1841 1857.86851 1582.7915 0.000543183
1821 1871.6764 1579.85248 0.000549149
1816 1888.19137 1576.92236 0.000550661
1825 1907.87892 1574.00111 0.000547945
1900 1931.2656 1571.08871 0.000526316
1978 1958.9379 1568.18514 0.000505561
2050 1991.53638 1565.29038 0.000487805
2025 2029.74275 1562.40441 0.000493827
2117 2074.25412 1559.52722 0.000472367
2046 2125.74325 1556.65878 0.000488759
2128 2184.81102 1553.79907 0.000469925
2228 2251.9536 1550.94807 0.000448833
2196 2327.58771 1548.10576 0.000455373
2291 2412.72017 1545.27212 0.000436491
2468 2506.98185 1542.44713 0.000405186
2573 2611.43819 1539.63077 0.000388651
2601 2728.54086 1536.82303 0.000384468
2781 2860.30929 1534.02387 0.000359583
2947 3007.60742 1531.23329 0.000339328
3056 3170.73935 1528.45126 0.000327225
3207 3348.64219 1525.67775 0.000311818
3550 3539.01201 1522.91276 0.00028169
3752 3738.88597 1520.15627 0.000266525
3950 3945.29283 1517.40824 0.000253165
4194 4155.37379 1514.66867 0.000238436
4465 4365.64661 1511.93752 0.000223964
4742 4570.74885 1509.2148 0.000210881
4827 4762.51812 1506.50046 0.000207168
5197 4926.04121 1503.7945 0.000192419
5437 5057.58935 1501.09689 0.000183925
5529 5139.72862 1498.40761 0.000180865
5708 5168.0873 1495.72665 0.000175193
5709 5136.53171 1493.05398 0.000175162
5483 5046.80121 1490.38959 0.000182382
5343 4906.95308 1487.73346 0.000187161
5093 4730.26963 1485.08556 0.000196348
4692 4532.63926 1482.44587 0.000213129
4290 4330.21084 1479.81439 0.0002331
4109 4134.25275 1477.19108 0.000243368
3858 3954.49337 1474.57593 0.000259202
3619 3796.70103 1471.96891 0.000276319
3536 3662.34614 1469.37002 0.000282805
3440 3551.07127 1466.77923 0.000290698
3426 3459.55967 1464.19652 0.000291886
3409 3382.42959 1461.62187 0.000293341
3349 3313.10144 1459.05526 0.000298597
3373 3244.80406 1456.49667 0.000296472
3441 3171.49985 1453.94609 0.000290613
3397 3088.70945 1451.40349 0.000294377
3345 2994.2375 1448.86886 0.000298954
3320 2888.55349 1446.34217 0.000301205
3162 2774.51956 1443.82341 0.000316256
3224 2656.48481 1441.31255 0.000310174
2959 2539.13548 1438.80959 0.000337952
2889 2426.55314 1436.3145 0.000346141
2749 2321.73116 1433.82725 0.000363769
2636 2226.51089 1431.34784 0.000379363
2498 2141.75864 1428.87624 0.00040032
2424 2067.61019 1426.41243 0.000412541
2258 2003.69357 1423.95639 0.00044287
2157 1949.3054 1421.50812 0.000463607
2091 1903.54557 1419.06757 0.00047824
1982 1865.42006 1416.63475 0.000504541
1903 1833.92077 1414.20962 0.000525486
1923 1808.08461 1411.79218 0.000520021
1834 1787.0351 1409.38239 0.000545256
1775 1770.00724 1406.98025 0.00056338
1844 1756.35872 1404.58573 0.000542299
1768 1745.5701 1402.19882 0.000565611
1759 1737.23778 1399.81949 0.000568505
1745 1731.1974 1397.44773 0.000573066
1803 1726.9734 1395.08352 0.000554631
1788 1724.9002 1392.72683 0.000559284
1807 1724.33986 1390.37766 0.000553403
1715 1725.65561 1388.03598 0.00058309
1798 1728.66736 1385.70178 0.000556174
1792 1733.67903 1383.37503 0.000558036
1837 1740.90375 1381.05572 0.000544366
1886 1750.63169 1378.74382 0.000530223
1865 1763.2372 1376.43933 0.000536193
1871 1779.18557 1374.14222 0.000534474
1940 1799.03932 1371.85247 0.000515464
2005 1823.46174 1369.57006 0.000498753
2010 1853.21949 1367.29498 0.000497512
2116 1889.33948 1365.02721 0.00047259
2144 1932.47799 1362.76673 0.000466418
2222 1983.93113 1360.51352 0.000450045
2253 2044.67833 1358.26756 0.000443853
2287 2115.96589 1356.02884 0.000437254
2398 2198.92147 1353.79733 0.000417014
2478 2294.5143 1351.57302 0.000403551
2574 2403.41214 1349.35589 0.0003885
2681 2525.88519 1347.14592 0.000372995
2774 2661.88364 1344.9431 0.00036049
2971 2811.61087 1342.7474 0.000336587
3016 2975.20387 1340.55881 0.000331565
3251 3154.42202 1338.3773 0.000307598
3554 3351.72502 1336.20287 0.000281373
3798 3569.18077 1334.03549 0.000263296
3966 3807.7314 1331.87515 0.000252143
4257 4065.28686 1329.72182 0.000234907
4483 4335.80087 1327.57549 0.000223065
4912 4609.25585 1325.43614 0.000203583
5193 4872.96569 1323.30376 0.000192567
5645 5113.74965 1321.17832 0.000177148
5951 5319.66898 1319.0598 0.000168039
6184 5480.14433 1316.9482 0.000161708
6639 5584.72907 1314.84349 0.000150625
6874 5622.38556 1312.74565 0.000145476
6929 5583.10317 1310.65467 0.000144321
7058 5461.7631 1308.57053 0.000141683
6773 5261.84071 1306.4932 0.000147645
6330 4996.25658 1304.42268 0.000157978
6053 4684.75817 1302.35895 0.000165207
5495 4349.41395 1300.30198 0.000181984
4895 4010.39716 1298.25176 0.00020429
4410 3683.47542 1296.20828 0.000226757
3855 3379.36729 1294.17151 0.000259403
3462 3104.32049 1292.14143 0.00028885
3059 2861.12921 1290.11804 0.000326904
2820 2650.12656 1288.1013 0.00035461
2595 2469.9812 1286.09121 0.000385356
2396 2318.29676 1284.08775 0.000417362
2266 2192.06255 1282.0909 0.000441306
2169 2087.99764 1280.10064 0.000461042
1976 2003.10222 1278.11695 0.000506073
1939 1933.68052 1276.13982 0.00051573
1921 1877.21009 1274.16923 0.000520562
1879 1831.39698 1272.20517 0.000532198
1867 1793.90305 1270.24761 0.000535619
1840 1763.20857 1268.29653 0.000543478
1788 1736.09914 1266.35193 0.000559284
1874 1715.3649 1264.41378 0.000533618
1790 1697.2487 1262.48207 0.000558659
1728 1683.45251 1260.55678 0.000578704
1731 1672.22591 1258.63789 0.000577701
1713 1663.39581 1256.72538 0.000583771
1740 1656.7563 1254.81924 0.000574713
1769 1652.17494 1252.91945 0.000565291
1763 1649.25836 1251.026 0.000567215
1742 1648.6341 1249.13886 0.000574053
1748 1649.84984 1247.25802 0.000572082
1757 1653.3108 1245.38346 0.000569152
1782 1658.99382 1243.51517 0.000561167
1821 1667.09828 1241.65313 0.000549149
1843 1677.89224 1239.79732 0.000542594
1912 1691.72184 1237.94772 0.000523013
1871 1709.02054 1236.10432 0.000534474
1918 1730.54569 1234.2671 0.000521376
1958 1756.48778 1232.43605 0.000510725
1988 1787.93917 1230.61115 0.000503018
2081 1825.55921 1228.79237 0.000480538
2138 1870.47205 1226.97971 0.000467727
2189 1923.82256 1225.17314 0.00045683
2310 1986.88169 1223.37266 0.0004329
2362 2061.02809 1221.57824 0.00042337
2491 2147.71127 1219.78987 0.000401445
2592 2248.383 1218.00752 0.000385802
2636 2364.39635 1216.23119 0.000379363
2859 2496.90207 1214.46086 0.000349773
3050 2646.82354 1212.69651 0.000327869
3184 2814.99135 1210.93812 0.00031407
3381 3002.41109 1209.18569 0.00029577
3610 3210.4558 1207.43918 0.000277008
3810 3440.70798 1205.69858 0.000262467
3944 3694.31449 1203.96389 0.00025355
4401 3970.96057 1202.23508 0.000227221
4722 4267.78472 1200.51213 0.000211775
5125 4578.74726 1198.79503 0.000195122
5425 4894.99872 1197.08376 0.000184332
5841 5206.32782 1195.37831 0.000171204
6062 5502.92744 1193.67866 0.000164962
6317 5776.26038 1191.9848 0.000158303
6647 6018.56449 1190.2967 0.000150444
6852 6221.9093 1188.61436 0.000145943
7025 6378.19292 1186.93774 0.000142349
7066 6480.56103 1185.26685 0.000141523
6751 6525.31195 1183.60166 0.000148126
6619 6512.97707 1181.94216 0.00015108
6537 6447.88643 1180.28833 0.000152975
6198 6336.30675 1178.64015 0.000161342
5912 6183.83881 1176.99762 0.000169147
5515 5993.45374 1175.3607 0.000181324
5165 5765.53223 1173.72939 0.000193611
4829 5499.9624 1172.10367 0.000207082
4541 5199.34776 1170.48353 0.000220216
4330 4870.78434 1168.86895 0.000230947
4007 4525.49876 1167.2599 0.000249563
3637 4176.8511 1165.65639 0.000274952
3431 3837.66975 1164.05839 0.00029146
3223 3518.69863 1162.46588 0.00031027
2988 3225.99032 1160.87885 0.000334672
2699 2963.64026 1159.29728 0.000370508
2538 2732.93851 1157.72117 0.000394011
2400 2532.70184 1156.15048 0.000416667
2205 2361.2297 1154.58521 0.000453515
2077 2215.92883 1153.02535 0.000481464
1981 2093.87791 1151.47087 0.000504796
1918 1992.07496 1149.92175 0.000521376
1888 1907.61213 1148.378 0.000529661
1834 1837.79773 1146.83958 0.000545256
1794 1780.23475 1145.30648 0.000557414
1807 1732.86313 1143.77869 0.000553403
1722 1693.97256 1142.25619 0.00058072
1713 1662.19225 1140.73897 0.000583771
1686 1636.46484 1139.22701 0.00059312
1691 1616.01137 1137.7203 0.000591366
1693 1600.29252 1136.21881 0.000590667
1642 1588.97033 1134.72254 0.000609013
1702 1581.87236 1133.23147 0.000587544
1702 1578.9586 1131.74558 0.000587544
1727 1580.28845 1130.26487 0.000579039
1697 1585.98559 1128.7893 0.000589275
1732 1596.19649 1127.31888 0.000577367
1709 1611.04412 1125.85357 0.000585138
1763 1630.58654 1124.39338 0.000567215
1822 1654.80098 1122.93828 0.000548847
1840 1683.6143 1121.48825 0.000543478
1920 1716.96954 1120.04329 0.000520833
2005 1754.87269 1118.60337 0.000498753
2078 1797.34251 1117.16849 0.000481232
2251 1844.23475 1115.73862 0.000444247
2341 1894.98125 1114.31376 0.000427168
2393 1948.34916 1112.89388 0.000417885
2535 2002.22967 1111.47898 0.000394477
2682 2054.21174 1110.06903 0.000372856
2892 2101.42701 1108.66402 0.000345781
3036 2140.97803 1107.26394 0.000329381
3156 2170.19458 1105.86878 0.000316857
3206 2186.64585 1104.47851 0.000311915
3126 2188.41894 1103.09312 0.000319898
3129 2174.68001 1101.7126 0.000319591
3103 2146.2307 1100.33694 0.000322269
2902 2105.78605 1098.96611 0.00034459
2814 2057.12035 1097.60011 0.000355366
2680 2004.9196 1096.23891 0.000373134
2513 1954.23168 1094.88251 0.000397931
2290 1908.4809 1093.53089 0.000436681
2223 1870.82115 1092.18404 0.000449843
2168 1843.23881 1090.84193 0.000461255
2139 1826.8537 1089.50456 0.000467508
2158 1822.07961 1088.17191 0.000463392
2170 1828.80374 1086.84397 0.000460829
2228 1846.58494 1085.52072 0.000448833
2331 1874.83698 1084.20215 0.000429
2426 1912.91268 1082.88824 0.000412201
2556 1960.01447 1081.57898 0.000391236
2642 2014.94283 1080.27436 0.000378501
2791 2075.78663 1078.97435 0.000358295
2897 2140.09526 1077.67895 0.000345185
3064 2203.44486 1076.38815 0.000326371
3187 2262.01731 1075.10191 0.000313775
3364 2311.72424 1073.82025 0.000297265
3594 2348.09806 1072.54313 0.000278242
3690 2367.54781 1071.27054 0.000271003
3806 2366.93362 1070.00247 0.000262743
3911 2344.41455 1068.73892 0.000255689
3904 2300.18669 1067.47985 0.000256148
3882 2236.78147 1066.22526 0.000257599
3830 2158.68811 1064.97513 0.000261097
3803 2071.47793 1063.72945 0.00026295
3624 1980.79329 1062.48821 0.000275938
3431 1891.53218 1061.25139 0.00029146
3219 1807.41567 1060.01898 0.000310655
3037 1730.93648 1058.79096 0.000329272
2820 1663.54353 1057.56731 0.00035461
2610 1605.90384 1056.34804 0.000383142
2407 1558.14752 1055.13312 0.000415455
2249 1520.06112 1053.92253 0.000444642
2131 1491.23183 1052.71627 0.000469263
1977 1471.15122 1051.51432 0.000505817
1838 1459.2878 1050.31666 0.00054407
1736 1455.13171 1049.12329 0.000576037
1722 1458.21355 1047.93418 0.00058072
1660 1468.09787 1046.74933 0.00060241
1565 1484.35522 1045.56872 0.000638978
1531 1506.5198 1044.39234 0.000653168
1583 1534.47536 1043.22018 0.000631712
1585 1567.00354 1042.05221 0.000630915
1529 1603.16759 1040.88843 0.000654022
1570 1642.67878 1039.72882 0.000636943
1562 1684.51882 1038.57338 0.000640205
1584 1727.98052 1037.42208 0.000631313
1604 1772.64685 1036.27491 0.000623441
1622 1817.81161 1035.13186 0.000616523
1615 1862.33581 1033.99292 0.000619195
1642 1904.3374 1032.85807 0.000609013
1679 1941.04034 1031.72729 0.000595593
1678 1969.05828 1030.60059 0.000595948
1690 1985.10551 1029.47793 0.000591716
1715 1987.18569 1028.35932 0.00058309
1654 1975.28865 1027.24473 0.000604595
1575 1951.43278 1026.13415 0.000634921
1563 1919.15536 1025.02757 0.000639795
1581 1882.59342 1023.92498 0.000632511
1534 1845.66134 1022.82636 0.00065189
1470 1811.45353 1021.7317 0.000680272
1498 1782.14462 1020.64098 0.000667557
1512 1758.05146 1019.5542 0.000661376
1453 1739.00283 1018.47134 0.000688231
1409 1723.86382 1017.39239 0.000709723
1383 1710.76914 1016.31733 0.000723066
1418 1698.30188 1015.24615 0.000705219
1435 1685.51461 1014.17884 0.000696864
1465 1672.21399 1013.11539 0.000682594
1496 1658.83343 1012.05577 0.000668449
1538 1646.08234 1010.99999 0.000650195
1641 1634.36736 1009.94802 0.000609385
1675 1624.46838 1008.89986 0.000597015
1694 1613.41055 1007.85549 0.000590319
1729 1602.49264 1006.81489 0.000578369
1836 1588.33294 1005.77806 0.000544662
1870 1570.74197 1004.74499 0.000534759
1787 1547.98254 1003.71565 0.000559597
1791 1520.55494 1002.69004 0.000558347
1788 1489.56941 1001.66814 0.000559284
1780 1456.65447 1000.64995 0.000561798
1807 1423.56977 999.63544 0.000553403
1738 1391.89352 998.62461 0.000575374
1682 1362.85354 997.61745 0.00059453
1611 1337.30089 996.61394 0.000620732
1547 1315.7702 995.61406 0.000646412
1529 1298.56917 994.61781 0.000654022
1465 1285.86062 993.62518 0.000682594
1435 1277.72547 992.63614 0.000696864
1391 1274.20714 991.6507 0.000718907
1368 1274.92723 990.66883 0.000730994
1370 1280.54654 989.69053 0.000729927
1318 1291.11251 988.71578 0.000758725
1344 1306.45108 987.74456 0.000744048
1355 1326.55217 986.77688 0.000738007
1370 1351.31447 985.81271 0.000729927
1370 1380.5064 984.85204 0.000729927
1377 1413.7648 983.89487 0.000726216
1409 1450.65046 982.94117 0.000709723
1508 1490.73714 981.99094 0.00066313
1623 1533.65354 981.04416 0.000616143
1711 1579.00409 980.10082 0.000584454
1756 1626.17145 979.16092 0.000569476
1782 1674.08122 978.22443 0.000561167
1836 1721.04524 977.29135 0.000544662
1970 1764.79448 976.36166 0.000507614
1992 1802.77237 975.43535 0.000502008
2024 1832.64467 974.51242 0.000494071
2089 1852.80534 973.59284 0.000478698
2054 1862.58828 972.67661 0.000486855
1953 1862.08791 971.76371 0.000512033
1882 1851.80325 970.85413 0.00053135
1805 1832.41467 969.94787 0.000554017
1720 1804.83391 969.0449 0.000581395
1626 1770.40974 968.14522 0.000615006
1515 1731.0487 967.24882 0.000660066
1462 1689.10962 966.35568 0.000683995
1379 1647.11322 965.46579 0.000725163
1314 1607.37493 964.57914 0.000761035
1297 1571.6884 963.69572 0.00077101
1300 1541.16448 962.81552 0.000769231
1267 1516.27021 961.93852 0.000789266
1234 1497.00303 961.06472 0.000810373
1246 1483.07209 960.1941 0.000802568
1264 1473.97926 959.32665 0.000791139
1318 1468.9742 958.46235 0.000758725
1339 1466.93262 957.60121 0.000746826
1330 1466.25006 956.7432 0.00075188
1352 1464.87324 955.88832 0.000739645
1416 1460.5729 955.03655 0.000706215
1435 1451.43092 954.18789 0.000696864
1420 1436.33255 953.34231 0.000704225
1431 1415.20968 952.49982 0.000698812
1449 1388.95207 951.66039 0.000690131
1420 1359.0922 950.82402 0.000704225
1425 1327.4988 949.9907 0.000701754
1384 1295.6884 949.16041 0.000722543
1313 1265.1061 948.33314 0.000761615
1304 1236.75032 947.50889 0.000766871
1257 1211.36063 946.68764 0.000795545
1267 1188.78156 945.86938 0.000789266
1300 1169.33061 945.05409 0.000769231
1268 1153.06759 944.24178 0.000788644
1180 1139.60681 943.43242 0.000847458
1168 1128.88136 942.62601 0.000856164
1193 1120.69382 941.82254 0.000838223
1146 1114.86112 941.02199 0.0008726
1124 1111.23374 940.22435 0.00088968
1136 1109.70984 939.42961 0.000880282
1162 1110.24457 938.63777 0.000860585
1165 1112.8546 937.84881 0.000858369
1176 1117.61824 937.06271 0.00085034
1178 1124.67124 936.27948 0.000848896
1182 1132.69576 935.4991 0.000846024
1216 1144.93087 934.72155 0.000822368
1246 1160.11056 933.94683 0.000802568
1290 1177.74615 933.17493 0.000775194
1328 1199.5877 932.40583 0.000753012
1354 1225.09839 931.63953 0.000738552
1397 1254.4034 930.87601 0.00071582
1480 1287.45585 930.11526 0.000675676
1589 1323.94563 929.35728 0.000629327
1663 1363.24496 928.60206 0.000601323
1662 1404.44892 927.84957 0.000601685
1740 1446.65638 927.09982 0.000574713
1864 1488.66364 926.35279 0.000536481
1954 1529.8068 925.60847 0.000511771
2047 1569.39585 924.86685 0.00048852
2094 1606.27158 924.12793 0.000477555
2165 1638.82615 923.39168 0.000461894
2237 1664.59074 922.6581 0.000447027
2291 1680.55802 921.92718 0.000436491
2349 1683.92257 921.19892 0.000425713
2398 1673.00334 920.47329 0.000417014
2417 1647.84452 919.75029 0.000413736
2322 1610.21948 919.02991 0.000430663
2185 1563.16121 918.31213 0.000457666
2097 1510.29301 917.59696 0.000476872
2016 1455.1683 916.88438 0.000496032
1874 1400.86549 916.17437 0.000533618
1723 1349.40677 915.46693 0.000580383
1632 1302.28029 914.76205 0.000612745
1496 1260.27611 914.05972 0.000668449
1382 1223.57231 913.35993 0.000723589
1348 1192.14688 912.66267 0.00074184
1286 1165.7241 911.96792 0.000777605
1216 1143.90472 911.27569 0.000822368
1216 1126.23024 910.58595 0.000822368
1183 1112.23137 909.8987 0.000845309
1113 1101.46419 909.21393 0.000898473
1125 1093.53627 908.53164 0.000888889
1119 1088.12453 907.8518 0.000893655
1110 1084.98552 907.17441 0.000900901
1093 1083.96006 906.49946 0.000914913
1070 1084.97308 905.82695 0.000934579
1093 1088.0304 905.15685 0.000914913
1092 1093.21296 904.48917 0.000915751
1082 1100.69139 903.82389 0.000924214
1109 1110.62854 903.161 0.000901713
1121 1123.29864 902.5005 0.000892061
1142 1138.98197 901.84237 0.000875657
1158 1157.97188 901.1866 0.000863558
1173 1180.49186 900.53319 0.000852515
1225 1206.70836 899.88212 0.000816327
1279 1236.62247 899.23339 0.000781861
1286 1270.02415 898.58699 0.000777605
1337 1306.47826 897.9429 0.000747943
1428 1345.38721 897.30112 0.00070028
1519 1386.11904 896.66164 0.000658328
1624 1428.11425 896.02445 0.000615764
1732 1470.85834 895.38954 0.000577367
1774 1513.68631 894.7569 0.000563698
1827 1555.5018 894.12652 0.000547345
1883 1594.57507 893.4984 0.000531067
1939 1628.6118 892.87252 0.00051573
1984 1655.22117 892.24887 0.000504032
2041 1672.61922 891.62745 0.000489956
2031 1680.46231 891.00824 0.000492368
1987 1679.74138 890.39125 0.000503271
1975 1672.63821 889.77645 0.000506329
1931 1662.00161 889.16384 0.000517866
1874 1650.59617 888.55341 0.000533618
1839 1639.61096 887.94515 0.000543774
1794 1632.78006 887.33906 0.000557414
1770 1629.27099 886.73512 0.000564972
1770 1630.41443 886.13333 0.000564972
1778 1635.35369 885.53367 0.00056243
1752 1643.15779 884.93614 0.000570776
1797 1652.12613 884.34073 0.000556483
1816 1659.76287 883.74742 0.000550661
1828 1661.98931 883.15622 0.000547046
1865 1658.11607 882.56712 0.000536193
1879 1644.79436 881.98009 0.000532198
1867 1622.37101 881.39515 0.000535619
1760 1591.58609 880.81227 0.000568182
1677 1554.71913 880.23144 0.000596303
1669 1514.77868 879.65267 0.000599161
1591 1474.64245 879.07594 0.000628536
1470 1437.13216 878.50125 0.000680272
1379 1404.44237 877.92857 0.000725163
1328 1378.25693 877.35792 0.000753012
1265 1359.56065 876.78927 0.000790514
1225 1349.192 876.22262 0.000816327
1238 1347.67983 875.65796 0.000807754
1227 1355.42336 875.09529 0.000814996
1243 1372.5797 874.53459 0.000804505
1218 1399.25647 873.97586 0.000821018
1244 1435.30918 873.41908 0.000803859
1285 1480.28336 872.86425 0.00077821
1374 1533.3279 872.31137 0.000727802
1438 1593.29278 871.76042 0.00069541
1493 1658.37016 871.2114 0.000669792
1522 1726.97975 870.66429 0.00065703
1617 1797.45094 870.11909 0.000618429
1731 1868.11153 869.5758 0.000577701
1797 1936.70082 869.03439 0.000556483
1885 2000.27635 868.49488 0.000530504
2021 2054.7616 867.95724 0.000494805
2083 2095.3432 867.42147 0.000480077
2110 2117.46601 866.88756 0.000473934
2074 2118.1313 866.35551 0.00048216
2064 2096.85556 865.8253 0.000484496
2029 2055.84446 865.29693 0.000492854
1891 1999.4583 864.77039 0.000528821
1752 1933.30704 864.24567 0.000570776
1597 1863.3237 863.72277 0.000626174
1456 1794.68445 863.20167 0.000686813
1383 1731.57195 862.68238 0.000723066
1330 1676.77469 862.16487 0.00075188
1298 1632.11026 861.64916 0.000770416
1277 1597.35005 861.13521 0.000783085
1216 1572.72922 860.62304 0.000822368
1186 1557.77072 860.11263 0.00084317
1187 1552.04746 859.60397 0.00084246
1228 1554.45433 859.09706 0.000814332
1239 1564.2558 858.59189 0.000807103
1270 1580.19684 858.08845 0.000787402
1236 1600.64262 857.58674 0.000809061
1248 1623.40048 857.08674 0.000801282
1249 1647.25422 856.58845 0.000800641
1284 1670.44553 856.09187 0.000778816
1276 1691.9291 855.59698 0.000783699
1273 1711.66764 855.10377 0.000785546
1318 1729.62902 854.61225 0.000758725
1275 1746.15718 854.1224 0.000784314
1314 1761.55369 853.63422 0.000761035
1345 1775.52732 853.1477 0.000743494
1367 1786.7459 852.66283 0.000731529
1334 1792.77373 852.1796 0.000749625
1339 1790.44405 851.69802 0.000746826
1359 1776.7568 851.21806 0.000735835
1387 1749.88679 850.73973 0.000720981
1399 1709.77502 850.26301 0.000714796
1417 1658.07678 849.7879 0.000705716
1395 1597.686 849.3144 0.000716846
1372 1532.12538 848.84249 0.000728863
1305 1464.93911 848.37218 0.000766284
1255 1399.18135 847.90344 0.000796813
1222 1337.11896 847.43628 0.000818331
1191 1280.18327 846.97069 0.000839631
1141 1229.09299 846.50666 0.000876424
1118 1184.03769 846.04419 0.000894454
1100 1144.85036 845.58326 0.000909091
1032 1111.14108 845.12388 0.000968992
1056 1081.9875 844.66603 0.00094697
1032 1057.67159 844.20971 0.000968992
1027 1036.91113 843.75492 0.00097371
991 1019.59292 843.30164 0.001009082
992 1005.08959 842.84986 0.001008065
982 992.74724 842.3996 0.00101833
979 982.2643 841.95082 0.00102145
1003 973.34655 841.50354 0.000997009
991 965.64275 841.05774 0.001009082
972 958.97227 840.61341 0.001028807
972 953.16167 840.17056 0.001028807
951 948.07645 839.72917 0.001051525
944 944.36121 839.28924 0.001059322
923 940.44268 838.85076 0.001083424
894 937.00322 838.41373 0.001118568
886 933.99661 837.97813 0.001128668
851 931.76433 837.54397 0.001175088
879 929.53306 837.11123 0.001137656
869 927.65827 836.67992 0.001150748
887 926.13028 836.25002 0.001127396
860 924.94632 835.82152 0.001162791
844 924.11078 835.39443 0.001184834
819 923.63582 834.96874 0.001221001
837 923.54247 834.54443 0.001194743
860 923.86219 834.12151 0.001162791
873 924.63869 833.69997 0.001145475
836 925.93037 833.2798 0.001196172
836 927.81291 832.861 0.001196172
862 930.38207 832.44356 0.001160093
861 933.75659 832.02747 0.00116144
869 938.31001 831.61274 0.001150748
899 943.75761 831.19934 0.001112347
950 950.52599 830.78728 0.001052632
962 958.841 830.37656 0.001039501
996 968.98841 829.96716 0.001004016
1003 980.96792 829.55908 0.000997009
1023 995.39805 829.15232 0.000977517
1029 1012.39236 828.74686 0.000971817
1054 1031.9789 828.34271 0.000948767
1089 1054.39837 827.93986 0.000918274
1166 1079.48495 827.5383 0.000857633
1227 1107.00863 827.13803 0.000814996
1316 1136.60761 826.73903 0.000759878
1436 1167.75753 826.34132 0.000696379
1440 1199.38782 825.94487 0.000694444
1507 1230.67965 825.54969 0.00066357
1568 1260.51613 825.15577 0.000637755
1670 1287.54762 824.76311 0.000598802
1728 1310.42066 824.37169 0.000578704
1735 1327.43135 823.98152 0.000576369
1774 1337.06903 823.59259 0.000563698
1768 1338.20965 823.20489 0.000565611
1742 1330.3143 822.81842 0.000574053
1710 1313.72423 822.43317 0.000584795
1633 1289.76221 822.04915 0.00061237
1550 1260.32398 821.66633 0.000645161
1414 1227.58636 821.28472 0.000707214
1329 1193.72598 820.90432 0.000752445
1253 1160.56136 820.52511 0.000798085
1157 1129.86945 820.1471 0.000864304
1138 1102.5937 819.77027 0.000878735
1083 1079.3103 819.39463 0.000923361
978 1060.43895 819.02017 0.001022495
958 1045.97216 818.64687 0.001043841
924 1035.78973 818.27475 0.001082251
881 1029.64105 817.90379 0.001135074
902 1027.16702 817.53399 0.001108647
878 1027.91501 817.16535 0.001138952
830 1031.36277 816.79785 0.001204819
860 1036.95848 816.4315 0.001162791
883 1044.15957 816.06629 0.001132503
891 1052.43287 815.70221 0.001122334
873 1061.1992 815.33927 0.001145475
894 1069.75804 814.97745 0.001118568
910 1077.26718 814.61675 0.001098901
888 1082.83904 814.25717 0.001126126
895 1085.74657 813.8987 0.001117318
865 1085.63744 813.54134 0.001156069
923 1082.62431 813.18509 0.001083424
929 1077.21529 812.82993 0.001076426
896 1070.16333 812.47587 0.001116071
903 1062.3117 812.1229 0.00110742
904 1054.87121 811.77101 0.001106195
939 1047.63915 811.42021 0.001064963
907 1041.43267 811.07049 0.001102536
865 1036.65195 810.72183 0.001156069
873 1032.99733 810.37425 0.001145475
911 1030.00213 810.02773 0.001097695
847 1027.37679 809.68228 0.001180638
850 1024.57995 809.33788 0.001176471
853 1020.54159 808.99453 0.001172333
825 1015.18245 808.65223 0.001212121
825 1008.02839 808.31098 0.001212121
895 999.33405 807.97076 0.001117318
832 989.35618 807.63159 0.001201923
817 978.59101 807.29344 0.00122399
838 967.46099 806.95632 0.001193317
812 956.79191 806.62023 0.001231527
801 946.81312 806.28516 0.001248439
800 937.96591 805.95111 0.00125
771 930.3302 805.61807 0.001297017
807 923.95268 805.28604 0.001239157
820 918.7396 804.95501 0.001219512
827 914.59594 804.62499 0.00120919
816 911.37319 804.29596 0.00122549
806 908.89983 803.96793 0.001240695
829 906.9437 803.64089 0.001206273
819 905.27343 803.31484 0.001221001
798 903.65083 802.98977 0.001253133
778 901.88297 802.66568 0.001285347
822 899.85977 802.34257 0.001216545
804 897.56207 802.02043 0.001243781
802 895.04881 801.69926 0.001246883
812 892.30449 801.37906 0.001231527
807 889.72112 801.05982 0.001239157
836 887.25473 800.74154 0.001196172
823 885.16583 800.42421 0.001215067
822 883.49833 800.10784 0.001216545
809 882.332 799.79242 0.001236094
851 881.72486 799.47795 0.001175088
836 881.72245 799.16441 0.001196172
844 882.36691 798.85182 0.001184834
821 883.70457 798.54016 0.001218027
871 885.79177 798.22944 0.001148106
912 888.69936 797.91965 0.001096491
902 892.51596 797.61078 0.001108647
963 897.35014 797.30284 0.001038422
984 903.33087 796.99582 0.00101626
1014 910.66092 796.68972 0.000986193
1047 919.38954 796.38453 0.00095511
1044 929.73218 796.08026 0.000957854
1066 941.8324 795.77689 0.000938086
1116 955.81965 795.47443 0.000896057
1148 971.66846 795.17288 0.00087108
1195 989.33615 794.87222 0.00083682
1179 1008.64132 794.57247 0.000848176
1181 1029.30874 794.27361 0.00084674
1178 1051.00373 793.97564 0.000848896
1196 1073.3383 793.67856 0.00083612
1208 1095.80724 793.38237 0.000827815
1269 1117.68272 793.08706 0.000788022
1246 1137.97117 792.79263 0.000802568
1225 1155.53545 792.49909 0.000816327
1263 1169.38422 792.20642 0.000791766
1313 1178.9847 791.91462 0.000761615
1239 1184.40421 791.62369 0.000807103
1269 1186.21474 791.33364 0.000788022
1238 1185.27395 791.04445 0.000807754
1118 1182.49924 790.75613 0.000894454
1109 1178.77653 790.46866 0.000901713
1135 1174.7729 790.18206 0.000881057
1101 1170.98671 789.89631 0.000908265
1074 1167.81582 789.61142 0.000931099
1097 1165.55833 789.32738 0.000911577
1100 1164.46634 789.04419 0.000909091
1075 1164.49718 788.76185 0.000930233
1069 1166.25457 788.48036 0.000935454
1058 1169.41137 788.19971 0.00094518
1051 1173.44585 787.9199 0.000951475
1053 1177.89173 787.64093 0.000949668
1134 1181.85824 787.36279 0.000881834
1051 1185.06021 787.0855 0.000951475
1056 1187.6791 786.80903 0.00094697
1093 1190.97807 786.5334 0.000914913
1020 1196.78904 786.2586 0.000980392
944 1206.34883 785.98462 0.001059322
919 1221.19162 785.71147 0.001088139
992 1241.96955 785.43915 0.001008065
950 1268.97005 785.16764 0.001052632
887 1301.4844 784.89696 0.001127396
946 1338.42238 784.62709 0.001057082
974 1377.87487 784.35804 0.001026694
912 1417.16579 784.08981 0.001096491
948 1452.86518 783.82239 0.001054852
929 1481.06139 783.55578 0.001076426
925 1498.06705 783.28998 0.001081081
929 1501.38389 783.02499 0.001076426
922 1490.35652 782.7608 0.001084599
895 1466.1146 782.49742 0.001117318
971 1431.0258 782.23485 0.001029866
920 1388.14103 781.97307 0.001086957
946 1340.78303 781.7121 0.001057082
905 1292.15096 781.45193 0.001104972
917 1244.92837 781.19255 0.001090513
913 1201.03308 780.93397 0.00109529
886 1161.58232 780.67619 0.001128668
889 1127.01844 780.4192 0.001124859
872 1097.30194 780.163 0.001146789
883 1072.1071 779.90759 0.001132503
891 1050.98778 779.65298 0.001122334
857 1033.49132 779.39915 0.001166861
886 1019.21598 779.14611 0.001128668
880 1007.83019 778.89386 0.001136364
921 999.07843 778.64239 0.001085776
957 992.78289 778.39171 0.001044932
893 988.83784 778.14181 0.001119821
966 987.1987 777.8927 0.001035197
952 987.87314 777.64436 0.00105042
943 990.9186 777.39681 0.001060445
950 996.23349 777.15003 0.001052632
996 1004.44207 776.90404 0.001004016
916 1015.48482 776.65882 0.001091703
960 1029.57134 776.41438 0.001041667
960 1047.24335 776.17071 0.001041667
1030 1068.75809 775.92783 0.000970874
1065 1094.50123 775.68571 0.000938967
1074 1124.7656 775.44437 0.000931099
1132 1159.80633 775.2038 0.000883392
1167 1199.73133 774.96401 0.000856898
1321 1244.51984 774.72499 0.000757002
1366 1294.0764 774.48674 0.000732064
1364 1348.32063 774.24926 0.000733138
1510 1407.27691 774.01255 0.000662252
1774 1471.11499 773.77661 0.000563698
1762 1539.8476 773.54144 0.000567537
1920 1613.86093 773.30704 0.000520833
2128 1692.11012 773.07341 0.000469925
2381 1772.22402 772.84054 0.000419992
2544 1850.20839 772.60845 0.000393082
2880 1919.82614 772.37712 0.000347222
3051 1973.85164 772.14656 0.000327761
3236 2005.93983 771.91676 0.000309023
3582 2012.48635 771.68774 0.000279174
3791 1993.48674 771.45947 0.000263783
3965 1951.91515 771.23198 0.000252207
4163 1892.67586 771.00525 0.000240211
4208 1821.72652 770.77929 0.000237643
4211 1745.44292 770.55409 0.000237473
4090 1669.85896 770.32966 0.000244499
3875 1599.91785 770.106 0.000258065
3459 1539.0573 769.8831 0.000289101
3200 1489.1948 769.66096 0.0003125
2873 1450.93314 769.4396 0.000348068
2507 1423.78049 769.219 0.000398883
2197 1406.29461 768.99916 0.000455166
1806 1396.19216 768.78009 0.00055371
1640 1390.56404 768.56179 0.000609756
1507 1386.33698 768.34426 0.00066357
1386 1380.94428 768.12749 0.000721501
1315 1372.89896 767.91149 0.000760456
1258 1361.93504 767.69626 0.000794913
1272 1349.14727 767.48179 0.000786164
1228 1335.13677 767.26809 0.000814332
1179 1321.33713 767.05517 0.000848176
1168 1309.83407 766.84301 0.000856164
1159 1301.81071 766.63162 0.000862813
1156 1297.8375 766.421 0.000865052
1117 1297.4893 766.21115 0.000895255
1120 1299.71445 766.00207 0.000892857
1119 1302.62343 765.79377 0.000893655
1110 1304.2072 765.58623 0.000900901
1149 1302.13921 765.37947 0.000870322
1137 1295.25526 765.17349 0.000879507
1085 1282.92701 764.96827 0.000921659
1118 1265.16915 764.76384 0.000894454
1134 1242.54929 764.56018 0.000881834
1088 1215.84155 764.35729 0.000919118
1081 1186.4915 764.15518 0.000925069
1091 1156.4113 763.95385 0.00091659
1125 1126.11418 763.7533 0.000888889
1087 1097.13644 763.55353 0.000919963
1141 1070.31079 763.35454 0.000876424
1160 1046.3076 763.15634 0.000862069
1160 1025.28337 762.95891 0.000862069
1287 1007.46943 762.76227 0.000777001
1338 992.79385 762.56642 0.000747384
1393 981.2718 762.37135 0.000717875
1448 972.86145 762.17707 0.000690608
1644 967.09893 761.98357 0.000608273
1746 964.04389 761.79087 0.000572738
1994 963.65672 761.59896 0.000501505
2214 966.05899 761.40784 0.000451671
2496 971.22289 761.21751 0.000400641
2747 979.18924 761.02797 0.000364033
2964 990.85048 760.83924 0.000337382
3223 1006.37429 760.6513 0.00031027
3552 1026.16135 760.46416 0.000281532
3746 1051.10086 760.27781 0.000266951
3974 1081.70953 760.09228 0.000251636
4009 1118.63306 759.90754 0.000249439
3998 1162.43588 759.72361 0.000250125
3917 1213.42817 759.54048 0.000255297
3899 1271.52572 759.35816 0.000256476
3675 1335.91353 759.17665 0.000272109
3448 1404.6973 758.99596 0.000290023
3430 1474.56404 758.81607 0.000291545
3280 1540.7892 758.637 0.000304878
3132 1597.75451 758.45875 0.000319285
2949 1640.04719 758.28131 0.000339098
2755 1663.63795 758.10469 0.000362976
2512 1666.56583 757.92889 0.000398089
2352 1649.02475 757.75392 0.00042517
2126 1613.31067 757.57977 0.000470367
1923 1562.6498 757.40645 0.000520021
1793 1501.67774 757.23396 0.000557724
1580 1435.00601 757.0623 0.000632911
1436 1367.13913 756.89147 0.000696379
1324 1300.95623 756.72148 0.000755287
1251 1239.25024 756.55232 0.000799361
1140 1183.55122 756.38401 0.000877193
1082 1134.53675 756.21653 0.000924214
1058 1092.33387 756.0499 0.00094518
1036 1056.32799 755.88411 0.000965251
993 1025.9246 755.71917 0.001007049
1006 1000.28953 755.55509 0.000994036
973 978.56383 755.39185 0.001027749
930 959.96518 755.22947 0.001075269
953 943.85335 755.06794 0.001049318
940 929.74247 754.90728 0.00106383
906 917.27614 754.74748 0.001103753
918 906.19941 754.58854 0.001089325
880 896.34134 754.43046 0.001136364
915 887.59731 754.27326 0.001092896
897 879.90461 754.11693 0.001114827
883 873.21907 753.96147 0.001132503
917 867.5028 753.80689 0.001090513
924 862.72203 753.65319 0.001082251
870 858.85047 753.50037 0.001149425
859 855.86941 753.34844 0.001164144
917 853.77332 753.19739 0.001090513
921 852.56821 753.04723 0.001085776
949 852.26514 752.89797 0.001053741
930 852.88317 752.7496 0.001075269
905 854.81637 752.60213 0.001104972
932 857.3018 752.45557 0.001072961
947 860.67512 752.3099 0.001055966
936 864.82335 752.16515 0.001068376
1038 869.5262 752.0213 0.000963391
1001 874.60904 751.87837 0.000999001
1005 879.54375 751.73635 0.000995025
1024 883.19733 751.59525 0.000976562
1090 885.41011 751.45508 0.000917431
1065 885.88383 751.31583 0.000938967
1096 884.73823 751.17751 0.000912409
1076 881.91017 751.04012 0.000929368
1078 877.8513 750.90367 0.000927644
1086 872.94064 750.76815 0.00092081
1020 867.43555 750.63358 0.000980392
968 862.07662 750.49995 0.001033058
956 857.06931 750.36727 0.001046025
908 852.61916 750.23554 0.001101322
871 849.03821 750.10477 0.001148106
826 846.35491 749.97495 0.001210654
826 844.61751 749.84609 0.001210654
784 843.85205 749.71821 0.00127551
793 844.08292 749.59129 0.001261034
770 845.7186 749.46534 0.001298701
774 848.08384 749.34036 0.00129199
802 851.6399 749.21637 0.001246883
795 856.51972 749.09336 0.001257862
831 863.08226 748.97134 0.001203369
829 871.17874 748.85031 0.001206273
837 881.24846 748.73027 0.001194743
872 893.58022 748.61123 0.001146789
896 908.47884 748.49319 0.001116071
921 926.23749 748.37615 0.001085776
930 947.09075 748.26013 0.001075269
954 971.1389 748.14512 0.001048218
1034 998.2314 748.03113 0.000967118
1063 1027.8178 747.91816 0.000940734
1109 1058.79175 747.80621 0.000901713
1137 1089.34029 747.69529 0.000879507
1211 1117.31728 747.58541 0.000825764
1291 1140.12271 747.47656 0.000774593
1286 1155.43919 747.36875 0.000777605
1320 1161.74716 747.26199 0.000757576
1385 1158.58135 747.15628 0.000722022
1401 1146.6273 747.05162 0.000713776
1378 1127.37341 746.94803 0.000725689
1330 1102.65243 746.84549 0.00075188
1289 1074.42949 746.74402 0.000775795
1277 1044.63552 746.64362 0.000783085
1151 1015.05844 746.5443 0.00086881
1090 987.00075 746.44605 0.000917431
1076 961.4073 746.34889 0.000929368
988 938.68287 746.25282 0.001012146
902 919.03207 746.15784 0.001108647
894 902.85204 746.06396 0.001118568
847 888.7607 745.97119 0.001180638
818 877.072 745.87951 0.001222494
824 867.46098 745.78895 0.001213592
765 859.6432 745.69951 0.00130719
792 853.63648 745.61119 0.001262626
786 848.68051 745.52399 0.001272265
760 844.865 745.43792 0.001315789
774 842.04807 745.35298 0.00129199
782 840.12312 745.26919 0.001278772
756 839.01494 745.18654 0.001322751
749 838.67496 745.10504 0.001335113
734 839.07572 745.02469 0.001362398
736 840.20422 744.94551 0.001358696
717 842.05334 744.86748 0.0013947
741 844.60958 744.79063 0.001349528
773 847.82264 744.71495 0.001293661
802 851.62978 744.64044 0.001246883
773 855.8519 744.56713 0.001293661
744 860.21687 744.495 0.001344086
751 864.38665 744.42407 0.001331558
758 867.99197 744.35433 0.001319261
791 870.77024 744.2858 0.001264223
786 872.64275 744.21848 0.001272265
764 873.71754 744.15238 0.001308901
786 874.17163 744.08749 0.001272265
775 874.30106 744.02383 0.001290323
778 874.2752 743.96141 0.001285347
758 874.43486 743.90022 0.001319261
740 875.05703 743.84027 0.001351351
754 876.4186 743.78157 0.00132626
770 878.65611 743.72412 0.001298701
811 881.90785 743.66793 0.001233046
761 886.22633 743.61301 0.00131406
801 891.6061 743.55935 0.001248439
828 897.98366 743.50697 0.001207729
824 905.24197 743.45587 0.001213592
833 913.48213 743.40606 0.00120048
897 922.1074 743.35753 0.001114827
884 931.35771 743.31031 0.001131222
881 941.38682 743.26439 0.001135074
927 952.49001 743.21978 0.001078749
964 965.19293 743.17649 0.001037344
986 979.74571 743.13451 0.001014199
974 996.86868 743.09387 0.001026694
983 1017.27421 743.05456 0.001017294
1000 1041.78137 743.01658 0.001
982 1071.29897 742.97995 0.00101833
1000 1106.81197 742.94467 0.001
1025 1149.27239 742.91075 0.00097561
1039 1199.94342 742.8782 0.000962464
1098 1259.75383 742.84701 0.000910747
1179 1329.47017 742.81719 0.000848176
1236 1409.50138 742.78876 0.000809061
1309 1499.14574 742.76172 0.000763942
1364 1596.146 742.73607 0.000733138
1424 1695.98972 742.71182 0.000702247
1485 1791.95947 742.68898 0.000673401
1583 1875.9138 742.66755 0.000631712
1654 1940.71017 742.64754 0.000604595
1718 1982.5588 742.62896 0.000582072
1728 2001.92846 742.6118 0.000578704
1758 2002.1509 742.59609 0.000568828
1745 1987.54041 742.58182 0.000573066
1651 1962.33972 742.56901 0.000605694
1634 1930.66983 742.55765 0.000611995
1614 1896.50106 742.54776 0.000619579
1578 1863.63647 742.53934 0.000633714
1540 1834.92515 742.53239 0.000649351
1530 1812.05021 742.52693 0.000653595
1564 1795.06633 742.52297 0.000639386
1503 1781.91081 742.5205 0.000665336
1468 1768.96382 742.51954 0.000681199
1570 1752.30274 742.52008 0.000636943
1560 1729.2964 742.52215 0.000641026
1539 1699.48153 742.52575 0.000649773
1581 1664.10199 742.53087 0.000632511
1595 1624.87955 742.53754 0.000626959
1563 1583.16816 742.54575 0.000639795
1522 1539.85686 742.55552 0.00065703
1531 1495.69098 742.56684 0.000653168
1484 1451.25364 742.57974 0.000673854
1471 1406.75509 742.59421 0.00067981
1484 1362.63512 742.61026 0.000673854
1405 1319.98174 742.6279 0.000711744
1354 1279.25747 742.64713 0.000738552
1357 1241.00664 742.66797 0.00073692
1335 1205.42455 742.69042 0.000749064
1261 1173.24075 742.71449 0.000793021
1188 1144.91846 742.74019 0.000841751
1164 1120.97231 742.76752 0.000859107
1203 1101.71985 742.79648 0.000831255
1180 1087.25603 742.8271 0.000847458
1138 1077.53388 742.85937 0.000878735
1075 1072.48103 742.8933 0.000930233
1062 1072.07587 742.92891 0.00094162
1031 1076.39671 742.96619 0.000969932
987 1085.52726 743.00515 0.001013171
1007 1099.50701 743.04581 0.000993049
996 1118.1975 743.08817 0.001004016
944 1141.12409 743.13224 0.001059322
913 1167.25334 743.17802 0.00109529
889 1194.91125 743.22553 0.001124859
915 1221.94633 743.27477 0.001092896
940 1246.17983 743.32575 0.00106383
924 1265.78187 743.37848 0.001082251
910 1279.42598 743.43296 0.001098901
932 1285.70277 743.4892 0.001072961
967 1283.77427 743.54722 0.001034126
939 1273.61413 743.60701 0.001064963
924 1256.42186 743.66859 0.001082251
922 1234.32581 743.73197 0.001084599
897 1209.32828 743.79715 0.001114827
882 1183.36514 743.86414 0.001133787
873 1158.06704 743.93294 0.001145475
891 1134.94306 744.00358 0.001122334
899 1115.30656 744.07605 0.001112347
888 1100.17497 744.15037 0.001126126
886 1090.15779 744.22654 0.001128668
887 1085.72647 744.30457 0.001127396
889 1087.13368 744.38447 0.001124859
886 1094.62085 744.46624 0.001128668
876 1108.47424 744.5499 0.001141553
886 1129.11217 744.63546 0.001128668
932 1156.93256 744.72291 0.001072961
967 1192.29403 744.81228 0.001034126
975 1234.88941 744.90357 0.001025641
1004 1285.07777 744.99679 0.000996016
1037 1341.01704 745.09194 0.00096432
1069 1400.02045 745.18904 0.000935454
1105 1458.06957 745.28809 0.000904977
1142 1511.42885 745.3891 0.000875657
1200 1556.4819 745.49209 0.000833333
1261 1590.96481 745.59705 0.000793021
1304 1613.15554 745.70401 0.000766871
1305 1621.3206 745.81296 0.000766284
1284 1614.3922 745.92392 0.000778816
1276 1593.31976 746.0369 0.000783699
1314 1561.37323 746.1519 0.000761035
1357 1522.91239 746.26893 0.00073692
1320 1481.96157 746.388 0.000757576
1260 1441.79144 746.50913 0.000793651
1275 1405.11455 746.63232 0.000784314
1309 1374.74345 746.75757 0.000763942
1300 1352.53737 746.88491 0.000769231
1282 1339.45457 747.01433 0.000780031
1251 1335.03159 747.14585 0.000799361
1262 1337.45176 747.27948 0.000792393
1272 1343.21572 747.41522 0.000786164
1255 1347.94348 747.55308 0.000796813
1278 1347.5438 747.69308 0.000782473
1309 1339.62651 747.83523 0.000763942
1265 1324.0287 747.97952 0.000790514
1243 1302.01499 748.12598 0.000804505
1302 1275.12157 748.27461 0.000768049
1290 1244.9356 748.42542 0.000775194
1287 1212.94664 748.57842 0.000777001
1287 1181.14162 748.73362 0.000777001
1243 1151.48577 748.89103 0.000804505
1189 1125.82019 749.05066 0.000841043
1173 1105.13199 749.21252 0.000852515
1144 1089.91659 749.37662 0.000874126
1085 1080.26209 749.54297 0.000921659
1059 1076.10918 749.71157 0.000944287
1044 1077.30534 749.88244 0.000957854
1022 1083.80608 750.05559 0.000978474
971 1095.73544 750.23103 0.001029866
927 1113.36397 750.40877 0.001078749
944 1136.97406 750.58881 0.001059322
939 1166.65649 750.77117 0.001064963
938 1202.07818 750.95585 0.001066098
970 1242.20278 751.14288 0.001030928
989 1284.92121 751.33225 0.001011122
987 1326.68024 751.52397 0.001013171
995 1362.53362 751.71807 0.001005025
1017 1387.21272 751.91454 0.000983284
1054 1397.10529 752.1134 0.000948767
1068 1391.72028 752.31466 0.00093633
1066 1373.22229 752.51832 0.000938086
1037 1344.59384 752.72441 0.00096432
1012 1308.37417 752.93292 0.000988142
1003 1266.82786 753.14387 0.000997009
994 1222.58288 753.35727 0.001006036
956 1178.60574 753.57313 0.001046025
958 1137.56006 753.79146 0.001043841
922 1101.26539 754.01228 0.001084599
871 1070.61166 754.23558 0.001148106
847 1045.78697 754.46138 0.001180638
824 1026.33581 754.6897 0.001213592
831 1012.2879 754.92054 0.001203369
818 1002.88002 755.15391 0.001222494
800 997.38045 755.38983 0.00125
816 995.24981 755.6283 0.00122549
850 995.89742 755.86934 0.001176471
836 998.62764 756.11295 0.001196172
835 1003.07336 756.35915 0.001197605
846 1009.36584 756.60795 0.001182033
890 1017.55867 756.85935 0.001123596
930 1027.52037 757.11338 0.001075269
957 1038.53838 757.37004 0.001044932
966 1049.16256 757.62934 0.001035197
972 1057.35781 757.89129 0.001028807
976 1061.09009 758.1559 0.00102459
1015 1059.17626 758.42319 0.000985222
1067 1051.75245 758.69317 0.000937207
1079 1039.86762 758.96584 0.000926784
1106 1024.68971 759.24122 0.000904159
1154 1007.03297 759.51932 0.000866551
1168 987.61739 759.80014 0.000856164
1179 967.3771 760.08372 0.000848176
1230 947.4381 760.37004 0.000813008
1266 928.78177 760.65913 0.000789889
1311 912.03372 760.95099 0.000762777
1340 897.43769 761.24564 0.000746269
1365 884.96347 761.54309 0.000732601
1413 874.43149 761.84335 0.000707714
1408 865.60672 762.14643 0.000710227
1406 858.25257 762.45234 0.000711238
1370 852.15677 762.7611 0.000729927
1262 847.13991 763.07271 0.000792393
1224 843.05789 763.38719 0.000816993
1184 839.79892 763.70455 0.000844595
1110 837.28083 764.02481 0.000900901
1057 835.44813 764.34796 0.000946074
978 834.26984 764.67403 0.001022495
946 833.73798 765.00302 0.001057082
896 833.86679 765.33496 0.001116071
839 834.69179 765.66984 0.001191895
805 836.23737 766.00769 0.001242236
751 838.63313 766.3485 0.001331558
698 841.91786 766.69231 0.001432665
735 846.13499 767.03911 0.001360544
767 851.23803 767.38892 0.001303781
720 857.07764 767.74176 0.001388889
687 863.22805 768.09763 0.001455604
727 869.01664 768.45654 0.001375516
746 873.62021 768.81851 0.001340483
758 876.34981 769.18355 0.001319261
766 876.94724 769.55168 0.001305483
781 875.62718 769.9229 0.00128041
770 872.82256 770.29723 0.001298701
787 868.90806 770.67467 0.001270648
796 864.15082 771.05525 0.001256281
829 858.83603 771.43897 0.001206273
869 853.34636 771.82585 0.001150748
833 848.10021 772.2159 0.00120048
843 843.43938 772.60913 0.00118624
871 839.57262 773.00556 0.001148106
937 836.58917 773.40519 0.001067236
956 834.50333 773.80804 0.001046025
1025 833.29759 774.21412 0.00097561
1016 832.95209 774.62345 0.000984252
981 833.46114 775.03603 0.001019368
1036 834.84014 775.45189 0.000965251
1039 837.12523 775.87102 0.000962464
995 840.36506 776.29346 0.001005025
988 844.54803 776.7192 0.001012146
1020 849.78378 777.14826 0.000980392
1023 855.81651 777.58066 0.000977517
1001 862.62287 778.0164 0.000999001
980 869.61407 778.4555 0.001020408
950 876.20273 778.89798 0.001052632
938 881.65531 779.34384 0.001066098
897 885.36846 779.79311 0.001114827
879 887.23282 780.24578 0.001137656
876 887.25358 780.70188 0.001141553
812 885.56922 781.16142 0.001231527
788 882.28395 781.62441 0.001269036
790 877.55552 782.09086 0.001265823
780 871.71551 782.5608 0.001282051
777 865.236 783.03422 0.001287001
753 858.57596 783.51115 0.001328021
735 852.07246 783.9916 0.001360544
718 845.9417 784.47558 0.001392758
703 840.32526 784.96311 0.001422475
677 835.31334 785.45419 0.001477105
710 830.94419 785.94885 0.001408451
749 827.20612 786.44709 0.001335113
735 824.05098 786.94893 0.001360544
734 821.41164 787.45439 0.001362398
748 819.21626 787.96347 0.001336898
782 817.39691 788.47619 0.001278772
781 815.89355 788.99256 0.00128041
776 814.65501 789.5126 0.00128866
812 813.63868 790.03633 0.001231527
833 812.80941 790.56375 0.00120048
852 812.13834 791.09487 0.001173709
880 811.60182 791.62972 0.001136364
912 811.16083 792.16831 0.001096491
938 810.83864 792.71065 0.001066098
944 810.60226 793.25675 0.001059322
963 810.44065 793.80664 0.001038422
975 810.33479 794.36031 0.001025641
963 810.2966 794.91779 0.001038422
979 810.30967 795.4791 0.00102145
924 810.36843 796.04423 0.001082251
891 810.46815 796.61322 0.001122334
842 810.60478 797.18607 0.001187648
827 810.7748 797.7628 0.00120919
854 810.97521 798.34342 0.00117096
848 811.20337 798.92795 0.001179245
808 811.457 799.5164 0.001237624
783 811.73411 800.10878 0.001277139
790 812.02161 800.70512 0.001265823
799 812.34068 801.30541 0.001251564
767 812.67854 801.90969 0.001303781
726 813.03398 802.51796 0.00137741
737 813.40024 803.13024 0.001356852
768 813.78776 803.74653 0.001302083
786 814.18995 804.36687 0.001272265
778 814.60603 804.99126 0.001285347
758 815.03532 805.61971 0.001319261
796 815.47719 806.25225 0.001256281
807 815.93106 806.88888 0.001239157
819 816.39642 807.52962 0.001221001
844 816.87282 808.17449 0.001184834
840 817.35982 808.82349 0.001190476
838 817.85704 809.47665 0.001193317
892 818.36414 810.13399 0.001121076
956 818.88078 810.7955 0.001046025
946 819.17679 811.46122 0.001057082
920 819.48151 812.13115 0.001086957
958 820.02861 812.80532 0.001043841
1002 820.58418 813.48372 0.000998004
994 821.03274 814.16639 0.001006036
987 821.48923 814.85334 0.001013171
981 822.07077 815.54457 0.001019368
973 822.55966 816.24011 0.001027749
991 823.15722 816.93998 0.001009082
998 823.76219 817.64417 0.001002004
944 824.37443 818.35273 0.001059322
951 824.9435 819.06564 0.001051525
943 825.33234 819.78295 0.001060445
951 825.96792 820.50465 0.001051525
1001 826.61033 821.23076 0.000999001
1001 827.25946 821.9613 0.000999001
1017 827.91524 822.69629 0.000983284
979 828.45915 823.43574 0.00102145
976 829.12891 824.17966 0.00102459
936 829.71464 824.92808 0.001068376
957 830.39788 825.681 0.001044932
999 831.08741 826.43845 0.001001001
952 831.78319 827.20043 0.00105042
943 832.48516 827.96697 0.001060445
930 833.14825 828.73808 0.001075269
927 833.86282 829.51378 0.001078749
910 834.58344 830.29408 0.001098901
935 835.31009 831.079 0.001069519
942 0 0 0.001061571
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_J4
_database_code_depnum_ccdc_archive 'CCDC 1527306'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2016-12-15T19:16|J4|Uribr-RomoFJ|MiniFlex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2016-12-15T19:16

#=============================================================================
# 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           2016-12-15T19:16
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     58
_refine_ls_goodness_of_fit_all   6.346

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.08551
_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        MIL-125-NHEt
_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_diffrn    ?
_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 MIL-125-NHEt_1 follows
_pd_phase_name                   MIL-125-NHEt_1
_cell_length_a                   18.626(20)
_cell_length_b                   18.626(20)
_cell_length_c                   18.088(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6275(20)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.36(8) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -1.52(19) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso -1.25(11) 32
C4 C 0.30217 0.93329 0.69222 0.130 Uiso 0.20(25) 32
C5 C 0.58820 0.82561 0.43721 0.130 Uiso -0.25(12) 32
C6 C 0.37916 0.88802 0.85220 0.130 Uiso 0.7(6) 32
C7 C 0.31342 0.06390 0.86465 0.130 Uiso -1.21(13) 32
C8 C 0.25565 0.01497 0.64698 0.130 Uiso 0.8(5) 32
C9 C 0.33560 0.18912 0.59104 0.130 Uiso 0.7(7) 32
Ti10 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.07(7) 16
O11 O 0.31110 0.05800 0.50000 0.500 Uiso 0.11(9) 16
C12 C 0.46333 0.06514 0.50000 0.500 Uiso 0.24(19) 16
N13 N 0.42348 0.12294 0.50000 0.130 Uiso 0.4(4) 16
O14 O 0.18190 0.00000 0.42650 0.500 Uiso 0.02(9) 16
O15 O 0.10740 0.10740 0.50000 0.250 Uiso -0.17(11) 8
C16 C 0.35070 0.00000 0.50000 0.250 Uiso -1.03(21) 8
C17 C 0.42650 0.00000 0.50000 0.250 Uiso -1.15(15) 8
C18 C 0.19400 0.19400 0.40230 0.500 Uiso 0.58(21) 16
C19 C 0.22250 0.22250 0.32090 0.500 Uiso -2.41(9) 16
O20 O 0.044(4) 0.04450 0.298(6) 0.50(6) Uiso 0.27(15) 16
O21 O 0.00000 0.00000 0.440(18) 0.28(15) Uiso 0.2(5) 4
O24 O 0.00000 0.151(12) 0.222(5) 0.20(4) Uiso -2.23(11) 16
O25 O 0.00000 0.238(13) 0.00000 0.16(4) Uiso -1.16(18) 8
O27 O 0.00000 0.50000 0.25000 1.3(5) Uiso 2.0(8) 4

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 57.12
N 10.08
O 68.736
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C1.785 N0.315 O2.148 Ti0.25'
_chemical_formula_weight         72.19

# 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
O1 Ti10 1.8895 1_555 1_555 yes
O1 C18 1.18737 1_555 1_555 yes
C2 C2 1.41436 1_555 32_555 yes
C2 N3 1.37184 1_555 1_555 yes
C2 C19 1.39257 1_555 1_555 yes
N3 C2 1.37184 1_555 1_555 yes
N3 C4 1.3571 1_555 12_656 yes
N3 C6 1.50328 1_555 21_544 yes
C4 N3 1.3571 1_555 10_566 yes
C4 C8 1.5327 1_555 7_565 yes
C5 C6 1.88557 1_555 18_654 yes
C5 C7 1.40674 1_555 24_554 yes
C5 C9 1.53325 1_555 9_666 yes
C5 N13 1.50186 1_555 3_665 yes
C6 N3 1.50328 1_555 21_555 yes
C6 C5 1.88557 1_555 20_465 yes
C6 C7 1.53366 1_555 7_565 yes
C6 C9 1.9039 1_555 28_556 yes
C7 C5 1.40674 1_555 24_445 yes
C7 C6 1.53366 1_555 7_565 yes
C8 C4 1.5327 1_555 7_565 yes
C8 C8 0.55767 1_555 7_555 yes
C9 C5 1.53325 1_555 9_666 yes
C9 C6 1.9039 1_555 26_456 yes
Ti10 O1 1.8895 1_555 1_555 yes
Ti10 O1 1.8895 1_555 11_556 yes
Ti10 Ti10 2.7567 1_555 7_555 yes
Ti10 O11 1.93784 1_555 1_555 yes
Ti10 O14 1.97713 1_555 1_555 yes
Ti10 O14 1.97713 1_555 11_556 yes
Ti10 O15 1.97969 1_555 1_555 yes
O11 Ti10 1.93784 1_555 1_555 yes
O11 C16 1.30812 1_555 1_555 yes
C12 C12 1.36606 1_555 5_655 yes
C12 N13 1.30768 1_555 1_555 yes
C12 C17 1.39383 1_555 1_555 yes
N13 C5 1.50186 1_555 3_665 yes
N13 C5 1.50186 1_555 9_666 yes
N13 C12 1.30768 1_555 1_555 yes
O14 Ti10 1.97713 1_555 1_555 yes
O14 Ti10 1.97713 1_555 7_555 yes
O15 Ti10 1.97969 1_555 1_555 yes
O15 Ti10 1.97969 1_555 8_555 yes
C16 O11 1.30812 1_555 1_555 yes
C16 O11 1.30812 1_555 7_555 yes
C16 C17 1.41188 1_555 1_555 yes
C17 C12 1.39383 1_555 1_555 yes
C17 C12 1.39383 1_555 7_555 yes
C17 C16 1.41188 1_555 1_555 yes
C18 O1 1.18737 1_555 1_555 yes
C18 O1 1.18737 1_555 8_555 yes
C18 C19 1.65269 1_555 1_555 yes
C19 C2 1.39257 1_555 1_555 yes
C19 C2 1.39257 1_555 8_555 yes
C19 C18 1.65269 1_555 1_555 yes
O20 O20 1.66(7) 1_555 2_555 yes
O20 O20 1.66(7) 1_555 4_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
Ti10 O1 C18 135.669 1_555 1_555 1_555 yes
C2 C2 N3 119.929 32_555 1_555 1_555 yes
C2 C2 C19 123.351 32_555 1_555 1_555 yes
N3 C2 C19 116.685 1_555 1_555 1_555 yes
C2 N3 C4 124.99 1_555 1_555 12_656 yes
C2 N3 C6 139.315 1_555 1_555 21_544 yes
C4 N3 C6 91.651 12_656 1_555 21_544 yes
N3 C4 C8 129.493 10_566 1_555 7_565 yes
C7 C5 C9 87.595 24_554 1_555 9_666 yes
C7 C5 N13 139.632 24_554 1_555 3_665 yes
C9 C5 N13 120.019 9_666 1_555 3_665 yes
N3 C6 C7 114.612 21_555 1_555 7_565 yes
C5 C7 C6 79.644 24_445 1_555 7_565 yes
C4 C8 C8 128.96 7_565 1_555 7_555 yes
O1 Ti10 O1 88.97 1_555 1_555 11_556 yes
O1 Ti10 O11 86.273 1_555 1_555 1_555 yes
O1 Ti10 O11 86.273 11_556 1_555 1_555 yes
O1 Ti10 O14 93.119 1_555 1_555 1_555 yes
O1 Ti10 O14 175.385 11_556 1_555 1_555 yes
O11 Ti10 O14 97.963 1_555 1_555 1_555 yes
O1 Ti10 O14 175.385 1_555 1_555 11_556 yes
O1 Ti10 O14 93.119 11_556 1_555 11_556 yes
O11 Ti10 O14 97.963 1_555 1_555 11_556 yes
O14 Ti10 O14 84.506 1_555 1_555 11_556 yes
O1 Ti10 O15 86.976 1_555 1_555 1_555 yes
O1 Ti10 O15 86.976 11_556 1_555 1_555 yes
O11 Ti10 O15 170.531 1_555 1_555 1_555 yes
O14 Ti10 O15 89.024 1_555 1_555 1_555 yes
O14 Ti10 O15 89.024 11_556 1_555 1_555 yes
Ti10 O11 C16 133.17 1_555 1_555 1_555 yes
C12 C12 N13 124.584 5_655 1_555 1_555 yes
C12 C12 C17 119.484 5_655 1_555 1_555 yes
N13 C12 C17 115.932 1_555 1_555 1_555 yes
C5 N13 C5 98.263 3_665 1_555 9_666 yes
C5 N13 C12 127.413 3_665 1_555 1_555 yes
C5 N13 C12 127.413 9_666 1_555 1_555 yes
Ti10 O14 Ti10 88.397 1_555 1_555 7_555 yes
Ti10 O15 Ti10 126.631 1_555 1_555 8_555 yes
O11 C16 O11 111.353 1_555 1_555 7_555 yes
O11 C16 C17 124.324 1_555 1_555 1_555 yes
O11 C16 C17 124.324 7_555 1_555 1_555 yes
C12 C17 C12 121.033 1_555 1_555 7_555 yes
C12 C17 C16 119.484 1_555 1_555 1_555 yes
C12 C17 C16 119.484 7_555 1_555 1_555 yes
O1 C18 O1 129.984 1_555 1_555 8_555 yes
C2 C19 C2 113.28 1_555 1_555 8_555 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -1.23(15); 
;
_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
    -3(8)e2, 9.9(23)e2, -29(13), 12.4702, -5.15780, 0.0655(3), 
  Crystallite size model "isotropic" for MIL-125-NHEt_1 (microns)
  parameters: Size, G/L mix
    0.809755, 1.000, 
  Mustrain model "isotropic" for MIL-125-NHEt_1 (10^6^)
    parameters: Mustrain, G/L mix
    -8487.65, 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.13546
_refine_ls_R_Fsqd_factor         0.19468
_pd_proc_ls_prof_R_factor        0.06175
_pd_proc_ls_prof_wR_factor       0.08551
_gsas_proc_ls_prof_R_B_factor    0.05884
_gsas_proc_ls_prof_wR_B_factor   0.07457
_pd_proc_ls_prof_wR_expected     0.01370 #	GOF = 6.35
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 3.8(26)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    2.46(4)e3, -5.7(10)e2, -1.95(16)e3, -2.4(4)e3, 5.70(17)e3, 
    -1.9(4)e3, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             103
_reflns_limit_h_min              8
_reflns_limit_h_max              8
_reflns_limit_k_min              2
_reflns_limit_k_max              2
_reflns_limit_l_min              0
_reflns_limit_l_max              0
_reflns_d_resolution_low         13.171
_reflns_d_resolution_high        2.259

# POWDER DATA TABLE
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        2.94657
_pd_proc_2theta_range_max        39.92657
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1850

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
10473 0 0 0
10620 0 0 0
10704 0 0 0
10512 0 0 0
10777 0 0 0
11147 0 0 0
10986 0 0 0
10393 0 0 0
10652 0 0 0
10749 0 0 0
10997 0 0 0
11219 0 0 0
10919 0 0 0
10869 0 0 0
11082 0 0 0
11032 0 0 0
11140 0 0 0
11258 0 0 0
11085 0 0 0
10865 0 0 0
11229 0 0 0
11256 0 0 0
10958 0 0 0
10975 0 0 0
11481 0 0 0
11421 0 0 0
11297 0 0 0
11603 0 0 0
11291 0 0 0
11233 0 0 0
11466 0 0 0
11114 0 0 0
11048 0 0 0
11054 0 0 0
11268 0 0 0
11535 0 0 0
11257 0 0 0
11122 0 0 0
11227 0 0 0
11286 0 0 0
11001 0 0 0
11041 0 0 0
10662 0 0 0
10617 0 0 0
10837 0 0 0
11327 0 0 0
11255 0 0 0
10615 0 0 0
10519 0 0 0
10724 0 0 0
10969 11192.9238 11075.3027 0.000091166
10585 11154.5389 11035.1488 0.0000944733
10657 11116.3388 10995.1391 0.000093835
10559 11078.3246 10955.2733 0.0000947059
10598 11040.4971 10915.5511 0.0000943574
10715 11002.8574 10875.9721 0.0000933271
10419 10965.4066 10836.5359 0.0000959785
10179 10928.1458 10797.2421 0.0000982415
10435 10891.076 10758.0904 0.0000958313
10667 10854.1988 10719.0805 0.0000937471
10500 10817.5152 10680.212 0.0000952381
10366 10781.0269 10641.4844 0.0000964692
10102 10744.7351 10602.8975 0.0000989903
10234 10708.6414 10564.451 0.0000977135
10457 10672.7476 10526.1443 0.0000956297
10204 10637.0553 10487.9773 0.0000980008
10140 10601.5663 10449.9494 0.0000986193
10166 10566.2825 10412.0605 0.0000983671
10295 10531.206 10374.31 0.0000971345
9954 10496.3389 10336.6977 0.0001004621
10121 10461.6834 10299.2232 0.0000988045
10075 10427.2419 10261.8861 0.0000992556
10274 10393.017 10224.6862 0.0000973331
10177 10359.0111 10187.623 0.0000982608
10036 10325.2272 10150.6962 0.0000996413
9958 10291.6681 10113.9054 0.0001004218
10096 10258.3369 10077.2503 0.0000990491
9891 10225.237 10040.7305 0.000101102
9713 10192.3717 10004.3457 0.0001029548
10017 10159.7448 9968.0955 0.0000998303
9713 10127.36 9931.9797 0.0001029548
9756 10095.2216 9895.9977 0.000102501
9883 10063.3337 9860.1494 0.0001011839
9793 10031.701 9824.4343 0.0001021138
9775 10000.3282 9788.8521 0.0001023018
9638 9969.2207 9753.4024 0.000103756
9684 9938.3837 9718.0849 0.0001032631
9486 9907.8231 9682.8993 0.0001054185
9689 9877.5449 9647.8452 0.0001032098
9813 9847.5558 9612.9223 0.0001019056
9698 9817.8625 9578.1302 0.000103114
9286 9788.4725 9543.4685 0.000107689
9880 9759.3936 9508.937 0.0001012146
9624 9730.6341 9474.5353 0.0001039069
9375 9702.203 9440.263 0.0001066667
9481 9674.1095 9406.1199 0.0001054741
9518 9646.3639 9372.1055 0.0001050641
9556 9618.9771 9338.2196 0.0001046463
9363 9591.9605 9304.4617 0.0001068034
9456 9565.3264 9270.8316 0.000105753
9389 9539.0885 9237.3289 0.0001065076
9496 9513.2605 9203.9533 0.0001053075
9477 9487.8581 9170.7044 0.0001055186
9377 9462.8975 9137.5819 0.0001066439
9281 9438.3967 9104.5855 0.000107747
9483 9414.3746 9071.7148 0.0001054519
9337 9390.8519 9038.9695 0.0001071008
9417 9367.8511 9006.3492 0.0001061909
9423 9345.3964 8973.8537 0.0001061233
9600 9323.514 8941.4826 0.0001041667
9545 9302.2325 8909.2355 0.0001047669
9530 9281.5833 8877.1122 0.0001049318
9540 9261.6002 8845.1122 0.0001048218
9291 9242.3206 8813.2353 0.000107631
9775 9223.7854 8781.4812 0.0001023018
9425 9206.0395 8749.8494 0.0001061008
9000 9189.1327 8718.3397 0.0001111111
9148 9173.1197 8686.9518 0.0001093135
9616 9158.0614 8655.6852 0.0001039933
9524 9144.0257 8624.5398 0.0001049979
9582 9131.0884 8593.5151 0.0001043623
9447 9119.3344 8562.6108 0.0001058537
9255 9108.8597 8531.8267 0.0001080497
9272 9099.7727 8501.1623 0.0001078516
9412 9092.1973 8470.6173 0.0001062473
9731 9086.2753 8440.1915 0.0001027644
9872 9082.1715 8409.8845 0.0001012966
10079 9080.0799 8379.696 0.0000992162
10096 9080.2335 8349.6256 0.0000990491
9752 9082.9208 8319.6731 0.0001025431
9751 9088.5127 8289.838 0.0001025536
9902 9097.5027 8260.1202 0.0001009897
10235 9110.5682 8230.5192 0.000097704
10634 9128.6537 8201.0348 0.000094038
10435 9153.0719 8171.6666 0.0000958313
10461 9185.6132 8142.4142 0.0000955932
10500 9228.6437 8113.2775 0.0000952381
10902 9285.1679 8084.2561 0.0000917263
10446 9358.8265 8055.3495 0.0000957304
11021 9453.7994 8026.5577 0.0000907359
11199 9574.5498 7997.8801 0.0000892937
11016 9725.3003 7969.3165 0.0000907771
11291 9909.1596 7940.8666 0.0000885661
11619 10127.2721 7912.5301 0.0000860659
11564 10379.1704 7884.3066 0.0000864753
11740 10664.8583 7856.1959 0.0000851789
11965 10985.6275 7828.1976 0.0000835771
12337 11340.6395 7800.3114 0.000081057
12828 11723.9821 7772.5369 0.0000779545
12910 12129.5262 7744.874 0.0000774593
13207 12558.3353 7717.3223 0.0000757174
13914 13015.0243 7689.8813 0.0000718701
14053 13497.0063 7662.551 0.0000711592
14349 13996.3398 7635.3309 0.0000696913
14861 14513.7344 7608.2207 0.0000672902
14876 15059.0433 7581.2201 0.0000672224
15603 15634.2781 7554.3288 0.0000640902
16008 16230.0162 7527.5466 0.0000624688
16723 16844.7425 7500.873 0.0000597979
17259 17491.3713 7474.3078 0.0000579408
17778 18175.7634 7447.8507 0.0000562493
18394 18887.5383 7421.5014 0.0000543656
19296 19623.5293 7395.2596 0.0000518242
19577 20398.9905 7369.1249 0.0000510803
20395 21222.0341 7343.097 0.0000490316
20826 22081.7529 7317.1757 0.0000480169
21711 22976.1795 7291.3607 0.0000460596
22415 23926.389 7265.6516 0.000044613
23534 24933.9358 7240.0482 0.0000424917
24414 25992.7216 7214.5501 0.0000409601
25552 27103.706 7189.157 0.0000391359
26276 28289.0893 7163.8687 0.0000380575
27650 29552.6884 7138.6848 0.0000361664
28576 30888.4074 7113.6051 0.0000349944
29800 32311.6969 7088.6292 0.000033557
32050 33842.4908 7063.7568 0.0000312012
33301 35482.1607 7038.9877 0.0000300291
35835 37240.3921 7014.3215 0.0000279057
37491 39144.7474 6989.758 0.0000266731
40119 41212.9062 6965.2968 0.0000249258
42553 43472.1364 6940.9377 0.0000235001
45534 45941.5975 6916.6803 0.0000219616
48668 48676.6657 6892.5244 0.0000205474
52252 51712.7216 6868.4696 0.000019138
56161 55121.3302 6844.5158 0.000017806
59922 58976.8022 6820.6625 0.0000166884
65064 63355.2879 6796.9094 0.0000153695
70607 68328.3003 6773.2564 0.0000141629
76574 73929.2199 6749.7031 0.0000130593
83222 80119.3691 6726.2492 0.0000120161
90841 86743.3104 6702.8944 0.0000110082
97315 93481.4311 6679.6384 0.0000102759
101736 99815.7108 6656.481 0.0000098294
106420 105013.9492 6633.4218 0.0000093967
107541 108153.6905 6610.4606 0.0000092988
105535 108234.2564 6587.597 0.0000094755
99889 104465.4443 6564.8308 0.0000100111
91840 96729.2734 6542.1617 0.0000108885
82838 85883.852 6519.5894 0.0000120718
72705 73485.4912 6497.1136 0.0000137542
62913 61106.597 6474.734 0.000015895
53125 49853.7941 6452.4504 0.0000188235
44084 40294.7217 6430.2625 0.000022684
37175 32588.3942 6408.1699 0.0000268998
30245 26633.3559 6386.1724 0.0000330633
24922 22183.736 6364.2697 0.0000401252
20274 18936.0686 6342.4615 0.0000493243
16461 16591.0117 6320.7476 0.0000607497
14289 14890.7449 6299.1276 0.0000699839
12831 13634.4806 6277.6013 0.0000779362
11848 12677.8985 6256.1684 0.0000844024
11052 11923.5949 6234.8286 0.0000904814
10158 11308.7014 6213.5816 0.0000984446
10047 10793.5377 6192.4272 0.0000995322
9348 10352.9629 6171.3651 0.0001069748
9046 9970.552 6150.3949 0.0001105461
8546 9635.0213 6129.5165 0.0001170138
8487 9338.176 6108.7295 0.0001178273
8279 9073.7695 6088.0337 0.0001207875
8315 8836.8683 6067.4287 0.0001202646
8096 8623.4828 6046.9144 0.0001235178
7812 8430.3383 6026.4903 0.0001280082
7713 8254.7176 6006.1564 0.0001296512
7687 8094.3498 5985.9122 0.0001300898
7445 7947.3227 5965.7575 0.0001343183
7417 7812.0177 5945.6921 0.0001348254
7244 7687.0571 5925.7156 0.0001380453
7224 7571.2631 5905.8278 0.0001384275
7146 7463.6223 5886.0284 0.0001399384
7287 7363.261 5866.3171 0.0001372307
7145 7269.4206 5846.6937 0.000139958
6999 7181.4422 5827.1579 0.0001428776
6903 7098.7487 5807.7095 0.0001448646
6790 7020.8355 5788.3481 0.0001472754
6777 6947.2576 5769.0734 0.0001475579
6774 6877.6233 5749.8853 0.0001476233
6480 6811.5851 5730.7835 0.000154321
6524 6748.8349 5711.7676 0.0001532802
6401 6689.0987 5692.8375 0.0001562256
6615 6632.1316 5673.9927 0.0001511716
6249 6577.7147 5655.2332 0.0001600256
6288 6525.6519 5636.5586 0.0001590331
6265 6475.7668 5617.9686 0.0001596169
6120 6427.9008 5599.463 0.0001633987
6377 6381.911 5581.0416 0.0001568135
6175 6337.6678 5562.704 0.0001619433
5963 6295.0544 5544.4499 0.0001677008
6318 6253.9649 5526.2792 0.0001582779
6198 6214.3032 5508.1916 0.0001613424
5773 6175.9818 5490.1868 0.0001732202
6058 6138.9215 5472.2645 0.000165071
6019 6103.0498 5454.4245 0.0001661406
5879 6068.3014 5436.6665 0.000170097
6001 6034.6162 5418.9902 0.0001666389
5954 6001.9398 5401.3955 0.0001679543
5759 5970.2226 5383.882 0.0001736413
5708 5939.4195 5366.4495 0.0001751927
5605 5909.4896 5349.0977 0.0001784121
5635 5880.3958 5331.8263 0.0001774623
5589 5852.1045 5314.6352 0.0001789229
5655 5824.5855 5297.524 0.0001768347
5687 5797.8118 5280.4925 0.0001758396
5600 5771.7592 5263.5404 0.0001785714
5752 5746.4062 5246.6676 0.0001738526
5494 5721.7343 5229.8736 0.0001820167
5443 5697.7277 5213.1583 0.0001837222
5477 5674.3727 5196.5214 0.0001825817
5370 5651.6585 5179.9627 0.0001862197
5424 5634.6128 5163.4819 0.0001843658
5445 5613.2191 5147.0788 0.0001836547
5369 5594.9842 5130.753 0.0001862544
5332 5574.8703 5114.5045 0.0001875469
5408 5555.3837 5098.3328 0.0001849112
5298 5536.5301 5082.2377 0.0001887505
5394 5518.3187 5066.2191 0.0001853912
5421 5500.763 5050.2766 0.0001844678
5241 5484.2877 5034.41 0.0001908033
5430 5468.11 5018.6191 0.0001841621
5361 5452.8694 5002.9035 0.0001865324
5418 5438.2051 4987.2632 0.00018457
5371 5424.3816 4971.6977 0.0001861851
5371 5411.4845 4956.2069 0.0001861851
5530 5399.6304 4940.7905 0.0001808318
5385 5388.9767 4925.4482 0.000185701
5483 5379.73 4910.1799 0.0001823819
5472 5372.1554 4894.9853 0.0001827485
5411 5366.5816 4879.8641 0.0001848087
5315 5363.4017 4864.8161 0.0001881468
5362 5363.0686 4849.841 0.0001864976
5597 5366.0849 4834.9386 0.0001786671
5449 5372.9778 4820.1087 0.0001835199
5500 5384.2674 4805.351 0.0001818182
5506 5400.411 4790.6653 0.0001816201
5441 5421.7639 4776.0513 0.0001837897
5717 5448.59 4761.5088 0.0001749169
5791 5481.1684 4747.0375 0.0001726817
5822 5519.9171 4732.6373 0.0001717623
5675 5565.3491 4718.3078 0.0001762115
5833 5617.8756 4704.0489 0.0001714384
6051 5677.7797 4689.8602 0.0001652619
5915 5745.5893 4675.7416 0.0001690617
6012 5822.4866 4661.6928 0.000166334
6001 5910.1824 4647.7136 0.0001666389
6487 6010.3478 4633.8038 0.0001541545
6143 6124.3923 4619.963 0.0001627869
6411 6254.0146 4606.1911 0.0001559819
6469 6401.6336 4592.4879 0.0001545834
6645 6569.7729 4578.853 0.0001504891
6806 6760.0717 4565.2863 0.0001469292
7035 6973.4558 4551.7876 0.0001421464
7367 7211.3476 4538.3565 0.0001357405
7651 7476.1663 4524.9929 0.0001307019
7811 7770.3353 4511.6966 0.0001280246
8274 8095.3373 4498.4672 0.0001208605
8381 8452.5731 4485.3046 0.0001193175
8832 8844.8055 4472.2085 0.0001132246
9280 9276.4325 4459.1788 0.0001077586
9710 9752.4086 4446.2151 0.0001029866
9977 10277.0302 4433.3173 0.0001002305
10765 10853.353 4420.485 0.0000928936
11300 11483.071 4407.7182 0.0000884956
12231 12166.0584 4395.0165 0.0000817595
12757 12897.8594 4382.3798 0.0000783883
13430 13666.4379 4369.8077 0.0000744602
14271 14452.171 4357.3001 0.0000700722
15492 15230.4351 4344.8568 0.0000645494
16180 15972.3962 4332.4775 0.0000618047
17243 16645.4244 4320.162 0.0000579945
17657 17219.0863 4307.91 0.0000566348
18069 17677.2659 4295.7214 0.0000553434
18502 18029.7598 4283.596 0.0000540482
18450 18316.56 4271.5334 0.0000542005
18777 18601.4664 4259.5335 0.0000532566
19195 18955.4948 4247.596 0.0000520969
19520 19436.3961 4235.7208 0.0000512295
20015 20074.2509 4223.9075 0.0000499625
21095 20866.3494 4212.1561 0.0000474046
21760 21775.8697 4200.4662 0.0000459559
22867 22731.7284 4188.8377 0.0000437311
24846 23631.8521 4177.2702 0.0000402479
25009 24350.0913 4165.7637 0.0000399856
25202 24747.4192 4154.3179 0.0000396794
25428 24690.8778 4142.9325 0.0000393267
24703 24083.5781 4131.6073 0.0000404809
23000 22901.6913 4120.3422 0.0000434783
20928 21218.3763 4109.1369 0.0000477829
18755 19190.5725 4097.9912 0.0000533191
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2233 2376.0455 2167.444 0.000447828
2224 2356.9577 2165.5593 0.0004496403
2201 2346.7061 2163.6699 0.0004543389
2165 2344.4372 2161.776 0.0004618938
2187 2349.1318 2159.8774 0.0004572474
2234 2359.6481 2157.9742 0.0004476276
2255 2374.7568 2156.0665 0.000443459
2169 2393.1731 2154.1543 0.000461042
2174 2413.5884 2152.2375 0.0004599816
2244 2434.5917 2150.3163 0.0004456328
2344 2455.1612 2148.3905 0.0004266212
2237 2474.0283 2146.4603 0.0004470273
2254 2490.1207 2144.5257 0.0004436557
2253 2502.7191 2142.5866 0.0004438526
2271 2511.1562 2140.6432 0.0004403347
2285 2515.0678 2138.6953 0.0004376368
2294 2514.3413 2136.7431 0.0004359198
2313 2509.0989 2134.7866 0.000432339
2280 2499.6624 2132.8257 0.0004385965
2273 2486.5048 2130.8605 0.0004399472
2301 2470.1965 2128.891 0.0004345937
2205 2451.3532 2126.9173 0.0004535147
2171 2430.592 2124.9393 0.0004606172
2167 2408.4986 2122.9571 0.0004614675
2158 2385.6092 2120.9707 0.000463392
2202 2362.4045 2118.9801 0.0004541326
2136 2339.312 2116.9854 0.0004681648
2157 2316.7122 2114.9865 0.0004636069
2083 2294.9446 2112.9835 0.0004800768
2096 2274.3123 2110.9764 0.0004770992
2032 2255.0821 2108.9652 0.000492126
2032 2237.4809 2106.95 0.000492126
2077 2221.6895 2104.9307 0.0004814636
2082 2207.8331 2102.9074 0.0004803074
2092 2195.9727 2100.8802 0.0004780115
2055 2186.098 2098.8489 0.000486618
2108 2178.1235 2096.8137 0.0004743833
1985 2171.8899 2094.7746 0.0005037783
1912 2167.1704 2092.7316 0.0005230126
2039 2163.6824 2090.6847 0.0004904365
2003 2161.1047 2088.634 0.0004992511
1978 2159.0966 2086.5794 0.0005055612
1989 2157.3211 2084.521 0.0005027652
2004 2155.466 2082.4588 0.000499002
1989 2153.2456 2080.3928 0.0005027652
1919 2150.4966 2078.3231 0.0005211047
1983 2147.0607 2076.2497 0.0005042864
2006 2142.9105 2074.1726 0.0004985045
1970 2138.0678 2072.0918 0.0005076142
2050 2132.6369 2070.0073 0.0004878049
2016 2126.7825 2067.9192 0.0004960317
2004 2120.7154 2065.8275 0.000499002
2102 2114.5493 2063.7323 0.0004757374
1984 2108.7968 2061.6334 0.0005040323
1964 2103.5246 2059.5311 0.000509165
2036 2099.1146 2057.4252 0.0004911591
2049 2095.7424 2055.3158 0.0004880429
2032 2093.6336 2053.203 0.000492126
2030 2092.9988 2051.0867 0.0004926108
2047 2094.0351 2048.9671 0.0004885198
2101 2096.9268 2046.844 0.0004759638
2187 2101.8451 2044.7176 0.0004572474
2256 2108.9434 2042.5878 0.0004432624
2298 2118.3496 2040.4547 0.000435161
2292 2130.152 2038.3183 0.0004363002
2358 2144.3828 2036.1787 0.0004240882
2437 2160.9966 2034.0358 0.0004103406
2511 2179.8505 2031.8897 0.0003982477
2612 2200.6852 2029.7404 0.0003828484
2554 2223.1126 2027.5879 0.0003915427
2715 2246.6144 2025.4323 0.0003683241
2785 2270.5526 2023.2736 0.0003590664
2752 2294.1964 2021.1117 0.0003633721
2788 2316.7643 2018.9469 0.0003586801
2731 2337.4808 2016.779 0.0003661662
2905 2355.6429 2014.608 0.0003442341
2785 2370.692 2012.4341 0.0003590664
2757 2382.2824 2010.2572 0.0003627131
2860 2390.3382 2008.0774 0.0003496503
2878 2395.0905 2005.8947 0.0003474635
2960 2397.0859 2003.7091 0.0003378378
2909 2397.1625 2001.5206 0.0003437607
2830 2396.3937 1999.3293 0.0003533569
2821 2396.0033 1997.1353 0.0003544842
2780 2397.2583 1994.9384 0.0003597122
2681 2401.3511 1992.7388 0.0003729952
2680 2409.2785 1990.5364 0.0003731343
2523 2421.733 1988.3314 0.0003963535
2455 2439.0151 1986.1237 0.000407332
2423 2460.9789 1983.9133 0.0004127115
2359 2487.0141 1981.7004 0.0004239084
2261 2516.0726 1979.4848 0.0004422822
2340 2546.7362 1977.2667 0.0004273504
2335 2577.3219 1975.046 0.0004282655
2341 2606.0161 1972.8229 0.0004271679
2293 2631.0248 1970.5973 0.0004361099
2299 2650.673 1968.3692 0.0004349717
2311 2663.7605 1966.1387 0.0004327131
2347 2669.3185 1963.9058 0.0004260758
2329 2667.007 1961.6705 0.0004293688
2348 2656.9124 1959.4329 0.0004258944
2359 2639.625 1957.193 0.0004239084
2351 2616.1304 1954.9508 0.0004253509
2231 2587.6961 1952.7064 0.0004482295
2318 2555.737 1950.4597 0.0004314064
2263 2521.6789 1948.2108 0.0004418913
2304 2486.835 1945.9598 0.0004340278
2205 2452.3097 1943.7066 0.0004535147
2379 2418.9369 1941.4513 0.0004203447
2325 2387.2583 1939.1939 0.0004301075
2328 2357.5376 1936.9345 0.0004295533
2311 2329.805 1934.673 0.0004327131
2393 2303.9216 1932.4095 0.0004178855
2390 2279.6505 1930.1441 0.00041841
2437 2256.6732 1927.8767 0.0004103406
2412 2234.8588 1925.6075 0.0004145937
2434 2213.9795 1923.3363 0.0004108463
2320 2193.9154 1921.0633 0.0004310345
2328 2174.7037 1918.7885 0.0004295533
2237 2156.3609 1916.5119 0.0004470273
2100 2138.9635 1914.2335 0.0004761905
2072 2122.5939 1911.9534 0.0004826255
1959 2107.3174 1909.6716 0.0005104645
1998 2093.1702 1907.3881 0.0005005005
2031 2080.1591 1905.1029 0.0004923683
1931 2068.2748 1902.8162 0.0005178664
1877 2057.5165 1900.5279 0.0005327651
1969 2047.9247 1898.238 0.000507872
1872 2039.6166 1895.9466 0.000534188
1894 2032.8216 1893.6537 0.0005279831
1847 2027.9099 1891.3593 0.0005414185
1833 2025.4126 1889.0635 0.0005455537
1881 2026.0279 1886.7663 0.0005316321
1863 2030.6142 1884.4678 0.0005367687
1978 2040.1676 1882.1679 0.0005055612
1949 2055.7828 1879.8667 0.0005130836
1895 2078.6011 1877.5642 0.0005277045
1887 2109.7433 1875.2604 0.0005299417
1955 2150.2325 1872.9555 0.000511509
1943 2200.881 1870.6493 0.000514668
2073 2262.3148 1868.342 0.0004823927
2038 2334.677 1866.0336 0.0004906771
2036 2417.8136 1863.7241 0.0004911591
2157 2510.9935 1861.4135 0.0004636069
2209 2612.9294 1859.1019 0.0004526935
2431 2721.8642 1856.7892 0.0004113534
2342 2835.4571 1854.4757 0.0004269855
2572 2950.925 1852.1611 0.0003888025
2543 3065.1146 1849.8457 0.0003932363
2719 3174.6292 1847.5294 0.0003677823
2890 3275.9783 1845.2123 0.0003460208
2954 3365.7469 1842.8943 0.000338524
3041 3440.7669 1840.5756 0.0003288392
3135 3498.2855 1838.2561 0.0003189793
3245 3536.1307 1835.9359 0.0003081664
3336 3552.8158 1833.6151 0.0002997602
3326 3547.6466 1831.2935 0.0003006615
3472 3520.7692 1828.9714 0.0002880184
3649 3473.1659 1826.6487 0.0002740477
3525 3406.6154 1824.3254 0.0002836879
3541 3323.605 1822.0016 0.0002824061
3543 3227.1999 1819.6773 0.0002822467
3472 3120.8838 1817.3525 0.0002880184
3420 3008.3588 1815.0273 0.0002923977
3256 2893.4477 1812.7018 0.0003071253
3105 2779.7799 1810.3758 0.0003220612
2777 2670.7083 1808.0496 0.0003601008
2746 2569.2007 1805.723 0.0003641661
2630 2477.6771 1803.3962 0.0003802281
2528 2397.9999 1801.0692 0.0003955696
2438 2331.4487 1798.7419 0.0004101723
2326 2278.7405 1796.4145 0.0004299226
2315 2240.0786 1794.087 0.0004319654
2289 2215.2179 1791.7593 0.000436872
2199 2203.5393 1789.4316 0.0004547522
2177 2204.121 1787.1039 0.0004593477
2215 2215.7487 1784.7762 0.0004514673
2304 2237.1721 1782.4485 0.0004340278
2262 2266.8261 1780.1209 0.0004420866
2354 2303.0336 1777.7933 0.0004248088
2249 2344.0731 1775.466 0.0004446421
2294 2388.0336 1773.1387 0.0004359198
2251 2432.9402 1770.8117 0.000444247
2295 2476.7606 1768.4849 0.0004357298
2249 2517.4535 1766.1584 0.0004446421
2149 2553.0367 1763.8322 0.0004653327
2245 2581.6679 1761.5063 0.0004454343
2227 2601.7351 1759.1808 0.0004490346
2196 2611.9477 1756.8557 0.0004553734
2168 2611.4172 1754.5311 0.0004612546
2092 2599.7187 1752.2069 0.0004780115
2105 2576.9245 1749.8832 0.0004750594
2138 2543.6037 1747.56 0.0004677268
2056 2500.7885 1745.2375 0.0004863813
2022 2449.9052 1742.9155 0.0004945598
2055 2392.6797 1740.5942 0.000486618
1949 2331.0251 1738.2735 0.0005130836
1952 2266.9207 1735.9536 0.0005122951
1866 2202.2958 1733.6344 0.0005359057
1870 2138.9266 1731.316 0.0005347594
1827 2078.3548 1728.9984 0.0005473454
1801 2021.8324 1726.6816 0.0005552471
1728 1970.2953 1724.3657 0.0005787037
1693 1924.3631 1722.0508 0.0005906675
1741 1884.3627 1719.7368 0.0005743825
1765 1850.3688 1717.4237 0.0005665722
1658 1822.2549 1715.1117 0.0006031363
1765 1799.749 1712.8008 0.0005665722
1663 1782.4864 1710.4909 0.0006013229
1642 1770.0559 1708.1822 0.0006090134
1670 1762.0352 1705.8746 0.0005988024
1637 1758.0144 1703.5682 0.0006108735
1676 1757.6067 1701.2631 0.0005966587
1657 1760.4482 1698.9592 0.0006035003
1727 1766.1884 1696.6566 0.0005790388
1622 1774.4743 1694.3553 0.0006165228
1681 1784.9328 1692.0554 0.000594884
1824 1797.1533 1689.7569 0.0005482456
1724 1810.675 1687.4598 0.0005800464
1764 1824.981 1685.1643 0.0005668934
1748 1839.5012 1682.8702 0.0005720824
1811 1853.6245 1680.5776 0.0005521811
1861 1866.7212 1678.2867 0.0005373455
1914 1878.171 1675.9974 0.000522466
1901 1887.3977 1673.7097 0.0005260389
1903 1893.9045 1671.4236 0.0005254861
2026 1897.307 1669.1394 0.0004935834
2082 1897.3599 1666.8568 0.0004803074
2006 1893.975 1664.5761 0.0004985045
2055 1887.2276 1662.2972 0.000486618
2047 1877.351 1660.0201 0.0004885198
2080 1864.718 1657.7449 0.0004807692
2134 1849.814 1655.4717 0.0004686036
2029 1833.202 1653.2005 0.0004928536
1995 1815.4836 1650.9312 0.0005012531
2026 1797.2466 1648.664 0.0004935834
1924 1779.0879 1646.3988 0.0005197505
1905 1761.4981 1644.1358 0.0005249344
1870 1744.8924 1641.8749 0.0005347594
1851 1729.5969 1639.6162 0.0005402485
1831 1715.8746 1637.3597 0.0005461496
1770 1703.8551 1635.1055 0.0005649718
1820 1693.6117 1632.8536 0.0005494505
1785 1685.1524 1630.6039 0.0005602241
1784 1678.475 1628.3567 0.0005605381
1743 1673.5336 1626.1118 0.0005737235
1757 1670.2913 1623.8694 0.000569152
1775 1668.7246 1621.6294 0.0005633803
1733 1668.832 1619.392 0.000577034
1751 1670.6368 1617.1571 0.0005711022
1819 1674.1833 1614.9247 0.0005497526
1759 1679.5282 1612.695 0.0005685048
1738 1686.7257 1610.4679 0.000575374
1774 1695.8087 1608.2435 0.0005636979
1740 1706.7684 1606.0219 0.0005747126
1834 1719.5314 1603.803 0.0005452563
1908 1733.9407 1601.5868 0.000524109
1855 1749.7389 1599.3736 0.0005390836
1897 1766.5604 1597.1631 0.0005271481
1923 1783.9303 1594.9556 0.0005200208
1956 1801.2752 1592.751 0.0005112474
1922 1817.9444 1590.5494 0.0005202914
1941 1833.2407 1588.3508 0.0005151984
1917 1846.4604 1586.1553 0.0005216484
1961 1856.9384 1583.9628 0.0005099439
2025 1864.0941 1581.7735 0.0004938272
2081 1867.4753 1579.5873 0.0004805382
2072 1866.7944 1577.4043 0.0004826255
2139 1861.9474 1575.2245 0.0004675082
2170 1853.0557 1573.048 0.0004608295
2169 1840.421 1570.8749 0.000461042
2109 1824.5366 1568.705 0.0004741584
2069 1806.0688 1566.5385 0.0004833253
1969 1785.8014 1564.3755 0.000507872
1956 1764.6123 1562.2158 0.0005112474
1860 1743.4321 1560.0597 0.0005376344
1855 1723.2111 1557.9071 0.0005390836
1830 1704.8908 1555.758 0.0005464481
1768 1689.3842 1553.6126 0.0005656109
1758 1677.5608 1551.4707 0.0005688282
1741 1670.2492 1549.3326 0.0005743825
1695 1668.2162 1547.1981 0.0005899705
1601 1672.1692 1545.0674 0.0006246096
1616 1682.7484 1542.9405 0.0006188119
1616 1700.4978 1540.8173 0.0006188119
1677 1725.8412 1538.6981 0.0005963029
1650 1759.0401 1536.5827 0.0006060606
1643 1800.1456 1534.4712 0.0006086427
1683 1848.9443 1532.3637 0.0005941771
1775 1904.9077 1530.2602 0.0005633803
1767 1967.1496 1528.1608 0.000565931
1685 2034.4013 1526.0654 0.0005934718
1822 2105.0097 1523.9741 0.0005488474
1874 2176.9687 1521.8869 0.0005336179
1955 2247.9791 1519.804 0.000511509
2058 2315.5472 1517.7252 0.0004859086
2147 2377.1057 1515.6507 0.0004657662
2264 2430.1612 1513.5805 0.0004416961
2335 2472.4443 1511.5147 0.0004282655
2438 2502.0592 1509.4532 0.0004101723
2479 2517.6113 1507.3961 0.0004033885
2539 2518.3111 1505.3434 0.0003938558
2686 2504.0232 1503.2952 0.0003723008
2738 2475.278 1501.2515 0.0003652301
2633 2433.2357 1499.2124 0.0003797949
2610 2379.5957 1497.1779 0.0003831418
2617 2316.4804 1495.148 0.0003821169
2528 2246.2885 1493.1227 0.0003955696
2388 2171.5397 1491.1021 0.0004187605
2246 2094.7219 1489.0863 0.000445236
2162 2018.1556 1487.0753 0.0004625347
2013 1943.8814 1485.069 0.000496771
1899 1873.5825 1483.0676 0.0005265929
1845 1808.5405 1481.0711 0.0005420054
1717 1749.6253 1479.0795 0.0005824112
1642 1697.3134 1477.0928 0.0006090134
1625 1651.7312 1475.1112 0.0006153846
1629 1612.7131 1473.1345 0.0006138735
1620 1579.8675 1471.163 0.000617284
1632 1552.6451 1469.1965 0.0006127451
1607 1530.4024 1467.2352 0.0006222775
1533 1512.4568 1465.279 0.0006523157
1539 1498.1312 1463.3281 0.0006497726
1522 1486.7881 1461.3824 0.0006570302
1554 1477.8497 1459.442 0.0006435006
1548 1470.8111 1457.5069 0.0006459948
1512 1465.2447 1455.5771 0.0006613757
1505 1460.7971 1453.6528 0.0006644518
1523 1457.1839 1451.7339 0.0006565988
1521 1454.1806 1449.8205 0.0006574622
1563 1451.614 1447.9126 0.0006397953
1523 1449.3522 1446.0102 0.0006565988
1552 1447.2967 1444.1134 0.0006443299
1517 1445.3755 1442.2222 0.0006591958
1442 1443.5328 1440.3367 0.0006934813
1456 1441.7404 1438.4568 0.0006868132
1498 1439.9718 1436.5827 0.0006675567
1530 1438.2142 1434.7144 0.0006535948
1515 1436.4707 1432.8518 0.000660066
1543 1434.7501 1430.9951 0.0006480881
1527 1433.0752 1429.1443 0.0006548788
1466 1431.4833 1427.2993 0.0006821282
1479 1430.0288 1425.4603 0.0006761325
1485 1428.7878 1423.6273 0.0006734007
1516 1427.8619 1421.8004 0.0006596306
1518 1427.3838 1419.9794 0.0006587615
1469 1427.5236 1418.1646 0.0006807352
1473 1428.4952 1416.3559 0.0006788866
1465 1430.5612 1414.5534 0.0006825939
1522 1434.0385 1412.757 0.0006570302
1519 1439.3009 1410.9669 0.0006583278
1491 1446.7795 1409.1831 0.0006706908
1523 1456.9587 1407.4056 0.0006565988
1544 1470.3684 1405.6345 0.0006476684
1555 1487.5653 1403.8697 0.0006430868
1573 1509.1316 1402.1114 0.0006357279
1598 1535.6239 1400.3595 0.0006257822
1585 1567.5614 1398.6141 0.0006309148
1600 1605.3869 1396.8752 0.000625
1636 1649.4427 1395.1429 0.0006112469
1667 1699.9242 1393.4172 0.00059988
1747 1756.8621 1391.6982 0.0005724098
1770 1820.0976 1389.9858 0.0005649718
1886 1889.2706 1388.2802 0.0005302227
2034 1963.8183 1386.5813 0.0004916421
2109 2042.9839 1384.8891 0.0004741584
2181 2125.8379 1383.2038 0.0004585053
2262 2211.3093 1381.5254 0.0004420866
2393 2298.2234 1379.8538 0.0004178855
2570 2385.3471 1378.1892 0.0003891051
2723 2471.4407 1376.5316 0.000367242
2825 2555.2995 1374.8809 0.0003539823
2949 2635.8033 1373.2373 0.000339098
2978 2711.9612 1371.6008 0.0003357958
3020 2782.9406 1369.9714 0.0003311258
3036 2848.1049 1368.3491 0.0003293808
2983 2907.0237 1366.734 0.000335233
2992 2959.4874 1365.1262 0.0003342246
2974 3005.5028 1363.5256 0.0003362475
2923 3045.2781 1361.9322 0.0003421143
2906 3079.194 1360.3462 0.0003441156
2833 3107.767 1358.7676 0.0003529827
2776 3131.5687 1357.1964 0.0003602305
2789 3151.2102 1355.6326 0.0003585515
2799 3167.2212 1354.0763 0.0003572705
2828 3180.0038 1352.5275 0.0003536068
2922 3189.768 1350.9862 0.0003422313
2929 3196.445 1349.4525 0.0003414135
2996 3199.731 1347.9264 0.0003337784
3035 3199.0169 1346.408 0.0003294893
3030 3193.4245 1344.8973 0.000330033
2942 3181.8979 1343.3942 0.0003399048
2854 3163.2894 1341.899 0.0003503854
2921 3136.4227 1340.4115 0.0003423485
2859 3100.2686 1338.9319 0.0003497726
2690 3054.0434 1337.4601 0.0003717472
2613 2997.3241 1335.9962 0.0003827019
2545 2930.1357 1334.5403 0.0003929273
2468 2853.0052 1333.0923 0.0004051864
2501 2766.9762 1331.6523 0.0003998401
2437 2673.5783 1330.2204 0.0004103406
2333 2574.7599 1328.7965 0.0004286327
2302 2472.7917 1327.3808 0.0004344049
2241 2370.1084 1325.9732 0.0004462294
2139 2269.203 1324.5738 0.0004675082
2103 2172.4935 1323.1826 0.0004755112
2073 2082.1185 1321.7997 0.0004823927
2060 1999.894 1320.425 0.0004854369
1968 1927.2206 1319.0587 0.0005081301
1904 1864.9671 1317.7007 0.0005252101
1895 1813.5373 1316.3511 0.0005277045
1882 1772.7978 1315.01 0.0005313496
1817 1742.1904 1313.6773 0.0005503577
1712 1720.738 1312.3531 0.0005841121
1685 1707.1698 1311.0374 0.0005934718
1696 1700.0005 1309.7303 0.0005896226
1629 1697.637 1308.4318 0.0006138735
1624 1698.4835 1307.142 0.0006157635
1657 1701.038 1305.8608 0.0006035003
1647 1703.9816 1304.5883 0.0006071645
1663 1706.2498 1303.3246 0.0006013229
1738 1707.0855 1302.0696 0.000575374
1743 1706.0718 1300.8235 0.0005737235
1666 1703.1395 1299.5861 0.0006002401
1644 1698.5537 1298.3577 0.0006082725
1695 1692.8772 1297.1382 0.0005899705
1714 1686.9146 1295.9276 0.0005834306
1717 1681.6411 1294.726 0.0005824112
1671 1678.1204 1293.5335 0.000598444
1610 1677.4158 1292.3499 0.000621118
1591 1680.5032 1291.1755 0.0006285355
1636 1688.1882 1290.0102 0.0006112469
1611 1701.0355 1288.854 0.0006207325
1582 1719.3131 1287.707 0.0006321113
1611 1742.9574 1286.5692 0.0006207325
1623 1771.5592 1285.4407 0.0006161429
1652 1804.3744 1284.3215 0.0006053269
1655 1840.3561 1283.2116 0.0006042296
1672 1878.2095 1282.1111 0.0005980861
1750 1916.4651 1281.0199 0.0005714286
1797 1953.5629 1279.9382 0.000556483
1852 1987.9489 1278.8659 0.0005399568
1900 2018.1677 1277.8031 0.0005263158
1890 2042.9533 1276.7499 0.0005291005
1943 2061.3074 1275.7062 0.000514668
2020 2072.5578 1274.6721 0.0004950495
2048 2076.3957 1273.6476 0.0004882812
2056 2072.8874 1272.6328 0.0004863813
2070 2062.4587 1271.6276 0.0004830918
2094 2045.8551 1270.6322 0.0004775549
2087 2024.0794 1269.6465 0.0004791567
2030 1998.3134 1268.6707 0.0004926108
1975 1969.8304 1267.7046 0.0005063291
1881 1939.9042 1266.7485 0.0005316321
1785 1909.7261 1265.8022 0.0005602241
1767 1880.3313 1264.8658 0.000565931
1775 1852.5455 1263.9394 0.0005633803
1752 1826.9536 1263.0229 0.0005707763
1706 1803.8895 1262.1165 0.0005861665
1680 1783.4514 1261.2202 0.0005952381
1632 1765.5357 1260.3339 0.0006127451
1597 1749.8857 1259.4578 0.0006261741
1602 1736.1518 1258.5918 0.0006242197
1598 1723.9536 1257.736 0.0006257822
1617 1712.9395 1256.8904 0.0006184292
1641 1702.8381 1256.055 0.0006093845
1635 1693.4966 1255.23 0.0006116208
1637 1684.9031 1254.4152 0.0006108735
1638 1677.1925 1253.6108 0.0006105006
1622 1670.6346 1252.8168 0.0006165228
1643 1665.6079 1252.0331 0.0006086427
1655 1662.5605 1251.26 0.0006042296
1606 1661.9621 1250.4973 0.000622665
1567 1664.2517 1249.7451 0.0006381621
1548 1669.7846 1249.0034 0.0006459948
1555 1678.7829 1248.2723 0.0006430868
1558 1691.294 1247.5518 0.0006418485
1561 1707.1604 1246.8419 0.000640615
1528 1726.0031 1246.1427 0.0006544503
1558 1747.2206 1245.4542 0.0006418485
1576 1770.0063 1244.7765 0.0006345178
1553 1793.381 1244.1095 0.000643915
1602 1816.2422 1243.4532 0.0006242197
1610 1837.4254 1242.8078 0.000621118
1661 1855.7753 1242.1733 0.000602047
1731 1870.2203 1241.5496 0.0005777008
1759 1879.8457 1240.9368 0.0005685048
1747 1883.96 1240.335 0.0005724098
1762 1882.148 1239.7442 0.0005675369
1815 1874.3071 1239.1643 0.0005509642
1833 1860.6632 1238.5955 0.0005455537
1824 1841.7631 1238.0378 0.0005482456
1819 1818.4466 1237.4912 0.0005497526
1836 1791.7976 1236.9557 0.0005446623
1779 1763.079 1236.4313 0.0005621135
1726 1733.6564 1235.9182 0.0005793743
1707 1704.9153 1235.4162 0.0005858231
1700 1678.1784 1234.9256 0.0005882353
1621 1654.6289 1234.4462 0.0006169031
1555 1635.2419 1233.9781 0.0006430868
1547 1620.7322 1233.5213 0.0006464124
1503 1611.5174 1233.076 0.000665336
1484 1607.6997 1232.642 0.0006738544
1515 1609.0656 1232.2194 0.000660066
1528 1615.1043 1231.8083 0.0006544503
1496 1625.0427 1231.4087 0.0006684492
1497 1637.8927 1231.0207 0.0006680027
1507 1652.5112 1230.6441 0.00066357
1539 1667.6672 1230.2792 0.0006497726
1559 1682.111 1229.9258 0.0006414368
1581 1694.6441 1229.5841 0.0006325111
1643 1704.1849 1229.2541 0.0006086427
1691 1709.8242 1228.9358 0.0005913661
1731 1710.8709 1228.6291 0.0005777008
1750 1706.8817 1228.3343 0.0005714286
1790 1697.6755 1228.0512 0.0005586592
1791 1683.3319 1227.7799 0.0005583473
1762 1664.173 1227.5205 0.0005675369
1761 1640.7316 1227.2729 0.0005678592
1773 1613.7095 1227.0373 0.0005640158
1750 1583.9272 1226.8135 0.0005714286
1677 1552.2709 1226.6018 0.0005963029
1613 1519.6402 1226.402 0.0006199628
1543 1486.8999 1226.2142 0.0006480881
1504 1454.8395 1226.0384 0.0006648936
1508 1424.1412 1225.8747 0.00066313
1501 1395.3598 1225.7232 0.0006662225
1426 1368.9122 1225.5837 0.0007012623
1361 1345.0775 1225.4564 0.0007347539
1311 1324.0048 1225.3412 0.0007627765
1294 1305.7283 1225.2383 0.0007727975
1297 1290.1864 1225.1476 0.00077101
1292 1277.2425 1225.0692 0.0007739938
1294 1266.7072 1225.0031 0.0007727975
1268 1258.3573 1224.9492 0.0007886435
1273 1251.9541 1224.9078 0.000785546
1278 1247.2566 1224.8786 0.0007824726
1230 1244.0325 1224.8619 0.0008130081
1231 1242.0642 1224.8576 0.0008123477
1289 1241.1533 1224.8658 0.0007757952
1258 1241.1207 1224.8865 0.0007949126
1217 1241.8067 1224.9196 0.0008216927
1250 1243.068 1224.9653 0.0008
1299 1244.7764 1225.0235 0.0007698229
1282 1246.8155 1225.0944 0.0007800312
1263 1249.0797 1225.1778 0.0007917656
1252 1251.4734 1225.2739 0.000798722
1261 1253.9104 1225.3826 0.0007930214
1264 1256.3158 1225.504 0.0007911392
1230 1258.6267 1225.6382 0.0008130081
1252 1260.7952 1225.7851 0.000798722
1263 1262.7894 1225.9447 0.0007917656
1309 1264.5955 1226.1172 0.0007639419
1293 1266.2187 1226.3025 0.0007733952
1288 1267.6824 1226.5006 0.0007763975
1294 1269.0274 1226.7116 0.0007727975
1292 1270.3084 1226.9355 0.0007739938
1280 1271.591 1227.1723 0.00078125
1268 1272.9457 1227.422 0.0007886435
1270 1274.4436 1227.6847 0.0007874016
1277 1276.1496 1227.9605 0.0007830854
1331 1278.1179 1228.2492 0.0007513148
1276 1280.3868 1228.551 0.0007836991
1266 1282.9753 1228.8659 0.0007898894
1277 1285.881 1229.1938 0.0007830854
1291 1289.0798 1229.5349 0.0007745933
1309 1292.5272 1229.8891 0.0007639419
1349 1296.1619 1230.2565 0.0007412898
1395 1299.9107 1230.6371 0.0007168459
1363 1303.6945 1231.0309 0.0007336757
1405 1307.4363 1231.4379 0.0007117438
1369 1311.0692 1231.8582 0.0007304602
1406 1314.5445 1232.2918 0.0007112376
1479 1317.8403 1232.7387 0.0006761325
1439 1320.9681 1233.199 0.000694927
1409 1323.9792 1233.6726 0.0007097232
1415 1326.9685 1234.1596 0.0007067138
1435 1330.0768 1234.66 0.0006968641
1463 1333.4901 1235.1738 0.000683527
1484 1337.436 1235.7011 0.0006738544
1474 1342.1774 1236.2418 0.0006784261
1408 1348.0035 1236.7961 0.0007102273
1361 1355.2169 1237.3638 0.0007347539
1375 1364.1193 1237.9451 0.0007272727
1306 1374.9939 1238.54 0.0007656968
1303 1388.0874 1239.1485 0.0007674597
1286 1403.5908 1239.7706 0.000777605
1287 1421.6207 1240.4063 0.0007770008
1267 1442.2024 1241.0557 0.000789266
1265 1465.2564 1241.7187 0.0007905138
1351 1490.5887 1242.3955 0.0007401925
1387 1517.8872 1243.0859 0.0007209805
1361 1546.7243 1243.7902 0.0007347539
1338 1576.5672 1244.5082 0.0007473842
1364 1606.7947 1245.2399 0.0007331378
1400 1636.7217 1245.9855 0.0007142857
1451 1665.6286 1246.7449 0.0006891799
1515 1692.7953 1247.5182 0.000660066
1536 1717.5364 1248.3053 0.0006510417
1548 1739.2359 1249.1063 0.0006459948
1482 1757.3783 1249.9213 0.0006747638
1590 1771.5742 1250.7501 0.0006289308
1615 1781.5773 1251.593 0.000619195
1634 1787.293 1252.4498 0.0006119951
1653 1788.7773 1253.3205 0.0006049607
1658 1786.2256 1254.2054 0.0006031363
1652 1779.9549 1255.1042 0.0006053269
1633 1770.379 1256.0171 0.0006123699
1629 1757.981 1256.9441 0.0006138735
1571 1743.2843 1257.8852 0.0006365372
1572 1726.8261 1258.8404 0.0006361323
1506 1709.1335 1259.8097 0.0006640106
1480 1690.7055 1260.7932 0.0006756757
1486 1672.001 1261.7908 0.0006729475
1449 1653.4314 1262.8027 0.0006901311
1414 1635.3595 1263.8288 0.0007072136
1361 1618.1009 1264.8691 0.0007347539
1452 1601.9292 1265.9236 0.0006887052
1425 1587.08 1266.9924 0.0007017544
1433 1573.7568 1268.0755 0.0006978367
1338 1562.1339 1269.173 0.0007473842
1371 1552.3588 1270.2847 0.0007293946
1386 1544.5527 1271.4108 0.0007215007
1420 1538.8096 1272.5512 0.0007042254
1444 1535.1954 1273.706 0.0006925208
1466 1533.7472 1274.8753 0.0006821282
1454 1534.4723 1276.0589 0.0006877579
1452 1537.3497 1277.257 0.0006887052
1455 1542.3311 1278.4695 0.0006872852
1526 1549.3432 1279.6965 0.000655308
1557 1558.2897 1280.9379 0.0006422608
1592 1569.0528 1282.1939 0.0006281407
1633 1581.493 1283.4644 0.0006123699
1677 1595.4479 1284.7494 0.0005963029
1741 1610.7285 1286.049 0.0005743825
1738 1627.1153 1287.3632 0.000575374
1718 1644.3535 1288.6919 0.0005820722
1745 1662.1486 1290.0353 0.0005730659
1728 1680.1652 1291.3933 0.0005787037
1821 1698.0275 1292.7659 0.0005491488
1817 1715.3262 1294.1531 0.0005503577
1739 1731.6275 1295.555 0.0005750431
1704 1746.4887 1296.9716 0.0005868545
1739 1759.4768 1298.4029 0.0005750431
1708 1770.1897 1299.849 0.0005854801
1705 1778.2771 1301.3097 0.0005865103
1694 1783.4617 1302.7852 0.0005903188
1664 1785.5547 1304.2755 0.0006009615
1693 1784.468 1305.7805 0.0005906675
1721 1780.219 1307.3003 0.0005810575
1691 1772.9282 1308.835 0.0005913661
1706 1762.8101 1310.3844 0.0005861665
1667 1750.1588 1311.9487 0.00059988
1696 1735.3279 1313.5279 0.0005896226
1661 1718.7087 1315.1219 0.000602047
1610 1700.7073 1316.7307 0.000621118
1606 1681.7234 1318.3545 0.000622665
1651 1662.1324 1319.9932 0.0006056935
1560 1642.2706 1321.6468 0.0006410256
1567 1622.427 1323.3153 0.0006381621
1645 1602.8392 1324.9988 0.0006079027
1648 1583.6939 1326.6972 0.0006067961
1654 1565.1315 1328.4106 0.0006045949
1661 1547.2535 1330.139 0.000602047
1681 1530.1307 1331.8824 0.000594884
1699 1513.8118 1333.6408 0.0005885815
1722 1498.3322 1335.4143 0.0005807201
1735 1483.7196 1337.2027 0.0005763689
1749 1469.9988 1339.0063 0.0005717553
1721 1457.1942 1340.8248 0.0005810575
1756 1445.33 1342.6585 0.0005694761
1786 1434.4294 1344.5072 0.0005599104
1692 0 0 0.0005910165
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_B1
_database_code_depnum_ccdc_archive 'CCDC 1527304'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2017-01-04T17:29|B1|Uribe-Romo|Miniflex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2017-01-04T17:29

#=============================================================================
# 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           2017-01-04T17:29
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     61
_refine_ls_goodness_of_fit_all   3.563

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.05597
_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        MIL-125-NHCy
_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_diffrn    ?
_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 MIL-125-NHCy_I4ommm follows
_pd_phase_name                   MIL-125-NHCy_I4ommm
_cell_length_a                   18.675(23)
_cell_length_b                   18.675(23)
_cell_length_c                   18.147(22)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6329(23)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.96(27) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -2.9(4) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.2(4) 32
C4 C 0.30217 0.93329 0.69222 0.130 Uiso 2(3) 32
C5 C 0.58820 0.82561 0.43721 0.130 Uiso -0.30(30) 32
C6 C 0.37916 0.88802 0.85220 0.130 Uiso 4(18) 32
C7 C 0.31342 0.06390 0.86465 0.130 Uiso -0.1(4) 32
C8 C 0.25565 0.01497 0.64698 0.130 Uiso 1.8(19) 32
C9 C 0.33560 0.18912 0.59104 0.130 Uiso 5(14) 32
C10 C 0.45961 0.21891 0.73059 0.130 Uiso 0.2(5) 32
C11 C 0.45836 0.08981 0.85620 0.130 Uiso 1.0(11) 32
C12 C 0.20446 0.47491 0.60749 0.130 Uiso 1.0(14) 32
C13 C 0.26956 0.65830 0.39199 0.130 Uiso 0.2(4) 32
C14 C 0.28560 0.52796 0.40639 0.130 Uiso -0.39(32) 32
C15 C 0.33147 0.60206 0.36784 0.130 Uiso 4(18) 32
C16 C 0.02149 0.51284 0.32630 0.130 Uiso 0.3(4) 32
C17 C 0.16070 0.51362 0.34431 0.130 Uiso 0.6(10) 32
C18 C 0.09583 0.48902 0.36810 0.130 Uiso 0.7(8) 32
C19 C 0.67504 0.47472 0.83938 0.130 Uiso 5(14) 32
C20 C 0.70044 0.44981 0.71681 0.130 Uiso -0.48(29) 32
C21 C 0.64460 0.49812 0.78411 0.130 Uiso -1.24(18) 32
Ti22 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.01(21) 16
O23 O 0.31110 0.05800 0.50000 0.500 Uiso 0.45(19) 16
C24 C 0.46333 0.06514 0.50000 0.500 Uiso 0.07(23) 16
N25 N 0.42348 0.12294 0.50000 0.130 Uiso -0.32(17) 16
O26 O 0.18190 0.00000 0.42650 0.500 Uiso -0.03(19) 16
O27 O 0.10740 0.10740 0.50000 0.250 Uiso -0.08(24) 8
C28 C 0.35070 0.00000 0.50000 0.250 Uiso -1.6(5) 8
C29 C 0.42650 0.00000 0.50000 0.250 Uiso 2(4) 8
C30 C 0.19400 0.19400 0.40230 0.500 Uiso 0.7(6) 16
C31 C 0.22250 0.22250 0.32090 0.500 Uiso -0.35(19) 16
O32 O 0.034(6) 0.03436 0.273(11) 0.57(17) Uiso 0.253 16
O33 O 0.00000 0.00000 0.4(3) 0.1(3) Uiso 0.253 4
O36 O 0.00000 0.211(8) 0.00000 0.64(9) Uiso 0.253 8
O38 O 0.00000 0.50000 0.25000 0.03(24) Uiso 0.253 4

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 107.04
N 10.08
O 64.598
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C3.345 N0.315 O2.019 Ti0.25'
_chemical_formula_weight         88.86

# 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
O1 Ti22 1.89505 1_555 1_555 yes
O1 C30 1.19058 1_555 1_555 yes
C2 C2 1.41878 1_555 32_555 yes
C2 N3 1.37561 1_555 1_555 yes
C2 C31 1.39641 1_555 1_555 yes
N3 C2 1.37561 1_555 1_555 yes
N3 C4 1.36065 1_555 12_656 yes
N3 C6 1.50736 1_555 21_544 yes
C4 N3 1.36065 1_555 10_566 yes
C4 C8 1.53699 1_555 7_565 yes
C4 C10 1.53582 1_555 28_556 yes
C5 C6 1.89134 1_555 18_654 yes
C5 C7 1.41124 1_555 24_554 yes
C5 C9 1.53736 1_555 9_666 yes
C5 C12 1.537 1_555 16_666 yes
C5 N25 1.50636 1_555 3_665 yes
C6 N3 1.50736 1_555 21_555 yes
C6 C5 1.89134 1_555 20_465 yes
C6 C7 1.53767 1_555 7_565 yes
C6 C11 1.53761 1_555 7_565 yes
C7 C5 1.41124 1_555 24_445 yes
C7 C6 1.53767 1_555 7_565 yes
C7 C10 1.88266 1_555 32_556 yes
C7 C12 0.94466 1_555 25_556 yes
C7 C12 1.76887 1_555 31_546 yes
C7 C17 1.57022 1_555 19_555 yes
C7 C17 1.1187 1_555 21_545 yes
C8 C4 1.53699 1_555 7_565 yes
C8 C8 0.55912 1_555 7_555 yes
C8 C19 1.70071 1_555 27_446 yes
C8 C19 1.53769 1_555 29_456 yes
C9 C5 1.53736 1_555 9_666 yes
C9 C13 1.53767 1_555 12_656 yes
C10 C4 1.53582 1_555 26_456 yes
C10 C7 1.88266 1_555 32_556 yes
C10 C10 1.50855 1_555 5_655 yes
C10 C17 1.81083 1_555 12_656 yes
C10 C20 1.53767 1_555 4_565 yes
C11 C6 1.53761 1_555 7_565 yes
C11 C11 1.55524 1_555 5_655 yes
C11 C16 1.58181 1_555 21_545 yes
C11 C18 1.79943 1_555 19_555 yes
C12 C5 1.537 1_555 16_666 yes
C12 C7 0.94466 1_555 25_556 yes
C12 C7 1.76887 1_555 31_556 yes
C12 C12 0.9371 1_555 7_565 yes
C12 C14 1.82784 1_555 11_556 yes
C12 C14 1.537 1_555 13_566 yes
C12 C17 1.39839 1_555 11_556 yes
C12 C17 1.21606 1_555 13_566 yes
C13 C9 1.53767 1_555 10_566 yes
C13 C15 1.62229 1_555 1_555 yes
C14 C12 1.82784 1_555 11_556 yes
C14 C12 1.537 1_555 13_566 yes
C14 C14 1.0443 1_555 7_565 yes
C14 C15 1.77147 1_555 1_555 yes
C14 O36 1.779(5) 1_555 18_555 yes
C15 C13 1.62229 1_555 1_555 yes
C15 C14 1.77147 1_555 1_555 yes
C15 C15 1.75548 1_555 6_665 yes
C16 C11 1.58181 1_555 21_554 yes
C16 C16 0.935 1_555 3_565 yes
C16 C16 0.80264 1_555 5_555 yes
C16 C18 1.64335 1_555 1_555 yes
C16 C18 1.58238 1_555 7_565 yes
C16 O38 1.46141 1_555 1_555 yes
C17 C7 1.57022 1_555 19_554 yes
C17 C7 1.1187 1_555 21_554 yes
C17 C10 1.81083 1_555 10_566 yes
C17 C12 1.39839 1_555 11_556 yes
C17 C12 1.21606 1_555 13_566 yes
C17 C17 0.5087 1_555 7_565 yes
C17 C18 1.36565 1_555 1_555 yes
C17 C18 1.28701 1_555 7_565 yes
C18 C11 1.79943 1_555 19_554 yes
C18 C16 1.64335 1_555 1_555 yes
C18 C16 1.58238 1_555 7_565 yes
C18 C17 1.36565 1_555 1_555 yes
C18 C17 1.28701 1_555 7_565 yes
C19 C8 1.70071 1_555 27_556 yes
C19 C8 1.53769 1_555 29_556 yes
C19 C19 0.9442 1_555 7_565 yes
C19 C21 1.23292 1_555 1_555 yes
C19 C21 1.25952 1_555 7_565 yes
C19 O26 1.65492 1_555 17_555 yes
C20 C10 1.53767 1_555 2_655 yes
C20 C20 1.87458 1_555 7_565 yes
C20 C21 1.84199 1_555 1_555 yes
C20 C21 1.87738 1_555 7_565 yes
C21 C19 1.23292 1_555 1_555 yes
C21 C19 1.25952 1_555 7_565 yes
C21 C20 1.84199 1_555 1_555 yes
C21 C20 1.87738 1_555 7_565 yes
Ti22 O1 1.89505 1_555 1_555 yes
Ti22 O1 1.89505 1_555 11_556 yes
Ti22 Ti22 2.76387 1_555 7_555 yes
Ti22 O23 1.94288 1_555 1_555 yes
Ti22 O26 1.98289 1_555 1_555 yes
Ti22 O26 1.98289 1_555 11_556 yes
Ti22 O27 1.98484 1_555 1_555 yes
O23 Ti22 1.94288 1_555 1_555 yes
O23 C28 1.31152 1_555 1_555 yes
C24 C24 1.36961 1_555 5_655 yes
C24 N25 1.31108 1_555 1_555 yes
C24 C29 1.39745 1_555 1_555 yes
N25 C5 1.50636 1_555 3_665 yes
N25 C5 1.50636 1_555 9_666 yes
N25 C24 1.31108 1_555 1_555 yes
O26 C19 1.65492 1_555 17_444 yes
O26 C19 1.65492 1_555 23_454 yes
O26 Ti22 1.98289 1_555 1_555 yes
O26 Ti22 1.98289 1_555 7_555 yes
O27 Ti22 1.98484 1_555 1_555 yes
O27 Ti22 1.98484 1_555 8_555 yes
C28 O23 1.31152 1_555 1_555 yes
C28 O23 1.31152 1_555 7_555 yes
C28 C29 1.41555 1_555 1_555 yes
C29 C24 1.39745 1_555 1_555 yes
C29 C24 1.39745 1_555 7_555 yes
C29 C28 1.41555 1_555 1_555 yes
C30 O1 1.19058 1_555 1_555 yes
C30 O1 1.19058 1_555 8_555 yes
C30 C31 1.65788 1_555 1_555 yes
C31 C2 1.39641 1_555 1_555 yes
C31 C2 1.39641 1_555 8_555 yes
C31 C30 1.65788 1_555 1_555 yes
O32 O32 1.28(11) 1_555 2_555 yes
O32 O32 1.81(16) 1_555 3_555 yes
O32 O32 1.28(11) 1_555 4_555 yes
O36 C14 1.779(5) 1_555 20_454 yes
O36 C14 1.779(5) 1_555 22_554 yes
O36 C14 1.779(5) 1_555 26_455 yes
O36 C14 1.779(5) 1_555 32_555 yes
O38 C16 1.46141 1_555 1_555 yes
O38 C16 1.46141 1_555 3_565 yes
O38 C16 1.46141 1_555 5_555 yes
O38 C16 1.46141 1_555 7_565 yes
O38 C16 1.46141 1_555 26_455 yes
O38 C16 1.46141 1_555 28_555 yes
O38 C16 1.46141 1_555 30_455 yes
O38 C16 1.46141 1_555 32_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
Ti22 O1 C30 135.673 1_555 1_555 1_555 yes
C2 C2 N3 119.944 32_555 1_555 1_555 yes
C2 C2 C31 123.365 32_555 1_555 1_555 yes
N3 C2 C31 116.657 1_555 1_555 1_555 yes
C2 N3 C4 124.977 1_555 1_555 12_656 yes
C2 N3 C6 139.32 1_555 1_555 21_544 yes
C4 N3 C6 91.655 12_656 1_555 21_544 yes
N3 C4 C8 129.475 10_566 1_555 7_565 yes
N3 C4 C10 119.768 10_566 1_555 28_556 yes
C8 C4 C10 98.112 7_565 1_555 28_556 yes
C7 C5 C9 87.572 24_554 1_555 9_666 yes
C7 C5 C12 37.066 24_554 1_555 16_666 yes
C9 C5 C12 117.931 9_666 1_555 16_666 yes
C7 C5 N25 139.651 24_554 1_555 3_665 yes
C9 C5 N25 120.027 9_666 1_555 3_665 yes
C12 C5 N25 121.414 16_666 1_555 3_665 yes
N3 C6 C7 114.614 21_555 1_555 7_565 yes
N3 C6 C11 117.199 21_555 1_555 7_565 yes
C7 C6 C11 127.144 7_565 1_555 7_565 yes
C5 C7 C6 79.662 24_445 1_555 7_565 yes
C5 C7 C12 78.718 24_445 1_555 25_556 yes
C6 C7 C12 143.983 7_565 1_555 25_556 yes
C5 C7 C17 120.535 24_445 1_555 21_545 yes
C6 C7 C17 95.549 7_565 1_555 21_545 yes
C12 C7 C17 71.659 25_556 1_555 21_545 yes
C4 C8 C8 128.951 7_565 1_555 7_555 yes
C4 C8 C19 112.871 7_565 1_555 29_456 yes
C8 C8 C19 97.193 7_555 1_555 29_456 yes
C5 C9 C13 99.963 9_666 1_555 12_656 yes
C4 C10 C10 108.665 26_456 1_555 5_655 yes
C4 C10 C20 111.18 26_456 1_555 4_565 yes
C10 C10 C20 96.836 5_655 1_555 4_565 yes
C6 C11 C11 164.135 7_565 1_555 5_655 yes
C5 C12 C7 64.215 16_666 1_555 25_556 yes
C5 C12 C12 140.067 16_666 1_555 7_565 yes
C7 C12 C12 140.105 25_556 1_555 7_565 yes
C5 C12 C14 104.298 16_666 1_555 13_566 yes
C7 C12 C14 114.168 25_556 1_555 13_566 yes
C12 C12 C14 91.998 7_565 1_555 13_566 yes
C5 C12 C17 120.864 16_666 1_555 11_556 yes
C7 C12 C17 81.68 25_556 1_555 11_556 yes
C12 C12 C17 58.872 7_565 1_555 11_556 yes
C14 C12 C17 134.16 13_566 1_555 11_556 yes
C5 C12 C17 105.614 16_666 1_555 13_566 yes
C7 C12 C17 60.834 25_556 1_555 13_566 yes
C12 C12 C17 79.855 7_565 1_555 13_566 yes
C14 C12 C17 141.863 13_566 1_555 13_566 yes
C17 C12 C17 20.983 11_556 1_555 13_566 yes
C12 C14 C14 88.002 13_566 1_555 7_565 yes
C16 C16 C16 30.858 3_565 1_555 5_555 yes
C16 C16 O38 71.343 3_565 1_555 1_555 yes
C16 C16 O38 74.061 5_555 1_555 1_555 yes
C7 C17 C12 88.57 21_554 1_555 11_556 yes
C7 C17 C12 47.507 21_554 1_555 13_566 yes
C12 C17 C12 41.273 11_556 1_555 13_566 yes
C7 C17 C17 147.07 21_554 1_555 7_565 yes
C12 C17 C17 58.872 11_556 1_555 7_565 yes
C12 C17 C17 100.145 13_566 1_555 7_565 yes
C7 C17 C18 124.145 21_554 1_555 1_555 yes
C12 C17 C18 98.439 11_556 1_555 1_555 yes
C12 C17 C18 115.341 13_566 1_555 1_555 yes
C17 C17 C18 70.343 7_565 1_555 1_555 yes
C7 C17 C18 109.155 21_554 1_555 7_565 yes
C12 C17 C18 108.69 11_556 1_555 7_565 yes
C12 C17 C18 113.455 13_566 1_555 7_565 yes
C17 C17 C18 87.805 7_565 1_555 7_565 yes
C18 C17 C18 17.462 1_555 1_555 7_565 yes
C17 C18 C17 21.853 1_555 1_555 7_565 yes
C8 C19 C19 82.807 29_556 1_555 7_565 yes
C8 C19 C21 122.544 29_556 1_555 1_555 yes
C19 C19 C21 69.241 7_565 1_555 1_555 yes
C8 C19 C21 121.306 29_556 1_555 7_565 yes
C19 C19 C21 66.253 7_565 1_555 7_565 yes
C21 C19 C21 2.988 1_555 1_555 7_565 yes
C19 C21 C19 44.506 1_555 1_555 7_565 yes
O1 Ti22 O1 89.009 1_555 1_555 11_556 yes
O1 Ti22 O23 86.274 1_555 1_555 1_555 yes
O1 Ti22 O23 86.274 11_556 1_555 1_555 yes
O1 Ti22 O26 93.08 1_555 1_555 1_555 yes
O1 Ti22 O26 175.386 11_556 1_555 1_555 yes
O23 Ti22 O26 97.961 1_555 1_555 1_555 yes
O1 Ti22 O26 175.386 1_555 1_555 11_556 yes
O1 Ti22 O26 93.08 11_556 1_555 11_556 yes
O23 Ti22 O26 97.961 1_555 1_555 11_556 yes
O26 Ti22 O26 84.545 1_555 1_555 11_556 yes
O1 Ti22 O27 86.977 1_555 1_555 1_555 yes
O1 Ti22 O27 86.977 11_556 1_555 1_555 yes
O23 Ti22 O27 170.531 1_555 1_555 1_555 yes
O26 Ti22 O27 89.024 1_555 1_555 1_555 yes
O26 Ti22 O27 89.024 11_556 1_555 1_555 yes
Ti22 O23 C28 133.17 1_555 1_555 1_555 yes
C24 C24 N25 124.584 5_655 1_555 1_555 yes
C24 C24 C29 119.484 5_655 1_555 1_555 yes
N25 C24 C29 115.932 1_555 1_555 1_555 yes
C5 N25 C5 98.301 3_665 1_555 9_666 yes
C5 N25 C24 127.396 3_665 1_555 1_555 yes
C5 N25 C24 127.396 9_666 1_555 1_555 yes
Ti22 O26 Ti22 88.362 1_555 1_555 7_555 yes
Ti22 O27 Ti22 126.631 1_555 1_555 8_555 yes
O23 C28 O23 111.353 1_555 1_555 7_555 yes
O23 C28 C29 124.324 1_555 1_555 1_555 yes
O23 C28 C29 124.324 7_555 1_555 1_555 yes
C24 C29 C24 121.033 1_555 1_555 7_555 yes
C24 C29 C28 119.484 1_555 1_555 1_555 yes
C24 C29 C28 119.484 7_555 1_555 1_555 yes
O1 C30 O1 129.961 1_555 1_555 8_555 yes
C2 C31 C2 113.253 1_555 1_555 8_555 yes
O32 O32 O32 90 2_555 1_555 4_555 yes
C16 O38 C16 37.313 1_555 1_555 3_565 yes
C16 O38 C16 31.878 1_555 1_555 5_555 yes
C16 O38 C16 18.887 3_565 1_555 5_555 yes
C16 O38 C16 18.887 1_555 1_555 7_565 yes
C16 O38 C16 31.878 3_565 1_555 7_565 yes
C16 O38 C16 37.313 5_555 1_555 7_565 yes
C16 O38 C16 153.853 1_555 1_555 26_455 yes
C16 O38 C16 153.853 3_565 1_555 26_455 yes
C16 O38 C16 171.034 5_555 1_555 26_455 yes
C16 O38 C16 143.857 7_565 1_555 26_455 yes
C16 O38 C16 153.853 1_555 1_555 28_555 yes
C16 O38 C16 153.853 3_565 1_555 28_555 yes
C16 O38 C16 143.857 5_555 1_555 28_555 yes
C16 O38 C16 171.034 7_565 1_555 28_555 yes
C16 O38 C16 37.313 26_455 1_555 28_555 yes
C16 O38 C16 143.857 1_555 1_555 30_455 yes
C16 O38 C16 171.034 3_565 1_555 30_455 yes
C16 O38 C16 153.853 5_555 1_555 30_455 yes
C16 O38 C16 153.853 7_565 1_555 30_455 yes
C16 O38 C16 31.878 26_455 1_555 30_455 yes
C16 O38 C16 18.887 28_555 1_555 30_455 yes
C16 O38 C16 171.034 1_555 1_555 32_555 yes
C16 O38 C16 143.857 3_565 1_555 32_555 yes
C16 O38 C16 153.853 5_555 1_555 32_555 yes
C16 O38 C16 153.853 7_565 1_555 32_555 yes
C16 O38 C16 18.887 26_455 1_555 32_555 yes
C16 O38 C16 31.878 28_555 1_555 32_555 yes
C16 O38 C16 37.313 30_455 1_555 32_555 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -0.6(3); 
;
_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
    4.8(17)e3, -1.0(4)e3, 78(24), 18.6723, 54(21), 0.0732(3), 
  Crystallite size model "isotropic" for MIL-125-NHCy_I4ommm (microns)
  parameters: Size, G/L mix
    7.63703, 1.000, 
  Mustrain model "isotropic" for MIL-125-NHCy_I4ommm (10^6^)
    parameters: Mustrain, G/L mix
    3755(4), 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.08331
_refine_ls_R_Fsqd_factor         0.12750
_pd_proc_ls_prof_R_factor        0.03969
_pd_proc_ls_prof_wR_factor       0.05597
_gsas_proc_ls_prof_R_B_factor    0.03445
_gsas_proc_ls_prof_wR_B_factor   0.04390
_pd_proc_ls_prof_wR_expected     0.01598 # GOF = 3.502
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio -0.0(23)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    1.69(4)e3, -1.83(10)e3, -9.3(13)e2, 2.0(3)e3, 4.49(13)e3, 
    -4.67(28)e3, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             100
_reflns_limit_h_min              7
_reflns_limit_h_max              7
_reflns_limit_k_min              1
_reflns_limit_k_max              1
_reflns_limit_l_min              4
_reflns_limit_l_max              4
_reflns_d_resolution_low         13.205
_reflns_d_resolution_high        2.282

# POWDER DATA TABLE
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        2.51015
_pd_proc_2theta_range_max        39.49015
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1850

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
10598 0 0 0
10540 0 0 0
10686 0 0 0
10634 0 0 0
10832 0 0 0
10828 0 0 0
10938 0 0 0
11124 0 0 0
11196 0 0 0
11096 0 0 0
11248 0 0 0
11167 0 0 0
11000 0 0 0
11093 0 0 0
11065 0 0 0
10840 0 0 0
10999 0 0 0
11112 0 0 0
11096 0 0 0
10870 0 0 0
10708 0 0 0
10978 0 0 0
11234 0 0 0
10954 0 0 0
10520 0 0 0
10348 0 0 0
10263 0 0 0
10084 0 0 0
10494 0 0 0
10425 0 0 0
10258 0 0 0
10449 0 0 0
10053 0 0 0
9820 0 0 0
10086 0 0 0
10223 0 0 0
10063 0 0 0
10179 0 0 0
10169 0 0 0
10293 0 0 0
10165 0 0 0
10044 0 0 0
10040 0 0 0
9712 0 0 0
9879 0 0 0
9953 0 0 0
9840 0 0 0
9733 0 0 0
9835 0 0 0
9589 0 0 0
9615 9866.95888 9716.87311 0.000104004
9962 9830.18279 9677.84926 0.000100381
9733 9793.62277 9638.98965 0.000102743
9722 9757.27998 9600.29377 0.000102859
9518 9721.15555 9561.76112 0.000105064
9586 9685.25079 9523.39117 0.000104319
9231 9649.56705 9485.18342 0.000108331
9353 9614.10571 9447.13735 0.000106918
9578 9578.86832 9409.25245 0.000104406
9550 9543.85642 9371.52821 0.000104712
9198 9509.07174 9333.96412 0.000108719
9150 9474.51604 9296.55969 0.00010929
9181 9440.1912 9259.31439 0.000108921
9318 9406.09921 9222.22772 0.000107319
9017 9372.24217 9185.29919 0.000110902
8680 9338.62233 9148.52828 0.000115207
8679 9305.24201 9111.9145 0.000115221
9353 9272.1037 9075.45734 0.000106918
9314 9239.21004 9039.1563 0.000107365
8875 9206.56383 9003.01089 0.000112676
9073 9174.16799 8967.0206 0.000110217
8761 9142.02561 8931.18494 0.000114142
8940 9110.14003 8895.50341 0.000111857
8980 9078.5147 8859.97552 0.000111359
8898 9047.15332 8824.60076 0.000112385
8672 9016.05979 8789.37866 0.000115314
8807 8985.23822 8754.30871 0.000113546
8855 8954.69303 8719.39042 0.000112931
8673 8924.42893 8684.62331 0.0001153
8614 8894.45071 8650.00689 0.00011609
8536 8864.76356 8615.54066 0.000117151
8491 8835.37321 8581.22414 0.000117772
8451 8806.28542 8547.05684 0.000118329
8759 8777.50651 8513.03828 0.000114168
8642 8749.04307 8479.16797 0.000115714
8518 8720.90227 8445.44544 0.000117398
8387 8693.09164 8411.87019 0.000119232
8729 8665.61917 8378.44174 0.000114561
8736 8638.4935 8345.15962 0.000114469
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2685 2901.05411 2516.11831 0.000372439
2624 2913.68561 2512.91955 0.000381098
2722 2928.56465 2509.7403 0.000367377
2729 2946.2288 2506.58039 0.000366435
2773 2967.03669 2503.4397 0.00036062
2729 2991.08613 2500.31806 0.000366435
2763 3018.16919 2497.21534 0.000361925
2759 3047.77144 2494.1314 0.00036245
2790 3079.12448 2491.06608 0.000358423
2794 3111.31844 2488.01925 0.00035791
2692 3143.4792 2484.99076 0.000371471
2773 3175.00631 2481.98048 0.00036062
2779 3205.81315 2478.98825 0.000359842
2898 3236.43506 2476.01394 0.000345066
2775 3267.86647 2473.05741 0.00036036
2700 3301.11029 2470.11852 0.00037037
2775 3336.5739 2467.19713 0.00036036
2839 3373.53303 2464.2931 0.000352237
2906 3409.8925 2461.40629 0.000344116
2818 3442.43112 2458.53657 0.000354862
2860 3467.59037 2455.6838 0.00034965
2884 3482.60665 2452.84784 0.000346741
2801 3486.50105 2450.02856 0.000357015
2988 3480.40496 2447.22582 0.000334672
2982 3467.03032 2444.43948 0.000335345
2916 3449.55128 2441.66942 0.000342936
3058 3430.41306 2438.9155 0.000327011
2868 3410.51992 2436.17758 0.000348675
2882 3389.04612 2433.45554 0.000346981
2859 3363.91271 2430.74924 0.000349773
2924 3332.77401 2428.05856 0.000341997
2911 3294.12726 2425.38335 0.000343525
2918 3248.03609 2422.72349 0.0003427
2919 3196.15 2420.07886 0.000342583
2901 3141.11046 2417.44931 0.000344709
2736 3086.90706 2414.83473 0.000365497
2834 3033.60305 2412.23499 0.000352858
2866 2984.57905 2409.64995 0.000348918
2697 2939.59875 2407.07949 0.000370782
2827 2899.58389 2404.52349 0.000353732
2668 2864.49647 2401.98182 0.000374813
2666 2834.072 2399.45435 0.000375094
2633 2807.93121 2396.94096 0.000379795
2585 2785.65092 2394.44152 0.000386847
2541 2766.80626 2391.95592 0.000393546
2655 2750.99456 2389.48402 0.000376648
2648 2737.84825 2387.02572 0.000377644
2659 2727.04118 2384.58087 0.000376081
2663 2718.29102 2382.14937 0.000375516
2599 2711.35899 2379.73109 0.000384763
2578 2706.04815 2377.32591 0.000387898
2684 2702.20049 2374.93372 0.000372578
2575 2699.69353 2372.55438 0.00038835
2643 2698.43686 2370.18779 0.000378358
2549 2698.36885 2367.83383 0.000392311
2547 2699.45373 2365.49238 0.000392619
2625 2701.67965 2363.16331 0.000380952
2549 2705.05709 2360.84652 0.000392311
2716 2710.93344 2358.54189 0.000368189
2826 2716.74337 2356.2493 0.000353857
2766 2724.5252 2353.96864 0.000361533
2786 2733.077 2351.6998 0.000358938
2625 2743.18021 2349.44265 0.000380952
2773 2754.99687 2347.19709 0.00036062
2702 2768.72323 2344.963 0.000370096
2739 2784.59326 2342.74027 0.000365097
2734 2802.88186 2340.5288 0.000365764
2670 2823.90804 2338.32846 0.000374532
2893 2848.0372 2336.13915 0.000345662
2855 2875.68215 2333.96075 0.000350263
2925 2907.30269 2331.79316 0.00034188
2949 2943.40098 2329.63627 0.000339098
2973 2984.51124 2327.48997 0.000336361
3003 3031.17866 2325.35415 0.000333
3072 3083.92179 2323.2287 0.000325521
3145 3143.17203 2321.11352 0.000317965
3216 3209.18623 2319.0085 0.000310945
3312 3281.94266 2316.91353 0.000301932
3308 3361.0496 2314.82851 0.000302297
3410 3445.72706 2312.75333 0.000293255
3528 3534.94117 2310.68789 0.000283447
3548 3627.74427 2308.63208 0.000281849
3687 3723.78481 2306.58581 0.000271223
3791 3823.87438 2304.54896 0.000263783
3963 3930.18837 2302.52143 0.000252334
4026 4045.62816 2300.50313 0.000248385
4247 4174.13035 2298.49395 0.00023546
4249 4319.33717 2296.49379 0.000235349
4505 4483.38529 2294.50255 0.000221976
4705 4666.8472 2292.52013 0.00021254
4855 4867.76035 2290.54642 0.000205973
5025 5081.54998 2288.58134 0.000199005
5256 5301.39112 2286.62478 0.000190259
5332 5519.27956 2284.67664 0.000187547
5642 5727.65433 2282.73683 0.000177242
5828 5920.94171 2280.80525 0.000171585
6047 6096.01707 2278.88181 0.000165371
6282 6251.20825 2276.96639 0.000159185
6574 6384.0136 2275.05892 0.000152114
6458 6488.95069 2273.1593 0.000154847
6479 6557.02499 2271.26743 0.000154345
6540 6577.53148 2269.38321 0.000152905
6472 6541.82489 2267.50656 0.000154512
6485 6446.26169 2265.63738 0.000154202
6335 6297.99532 2263.77557 0.000157853
6173 6110.16275 2261.92106 0.000161996
5879 5898.73839 2260.07373 0.000170097
5776 5681.04789 2258.23351 0.00017313
5567 5470.66598 2256.4003 0.00017963
5391 5276.77423 2254.57401 0.000185494
5279 5103.70023 2252.75455 0.00018943
5050 4952.0774 2250.94184 0.00019802
4993 4820.32996 2249.13578 0.00020028
4947 4706.03761 2247.33629 0.000202143
4958 4606.73757 2245.54327 0.000201694
4849 4519.99023 2243.75664 0.000206228
4644 4442.90571 2241.97632 0.000215332
4815 4366.18847 2240.20221 0.000207684
4773 4293.12136 2238.43424 0.000209512
4759 4218.48805 2236.67231 0.000210128
4646 4135.31155 2234.91634 0.000215239
4567 4041.55208 2233.16624 0.000218962
4378 3937.89881 2231.42194 0.000228415
4268 3827.35476 2229.68335 0.000234302
4224 3714.16639 2227.95038 0.000236742
3988 3602.65339 2226.22295 0.000250752
3772 3496.37192 2224.50099 0.000265111
3731 3397.76252 2222.7844 0.000268025
3621 3308.2007 2221.07311 0.000276167
3448 3228.14567 2219.36703 0.000290023
3318 3157.52761 2217.6661 0.000301386
3291 3095.90991 2215.97021 0.000303859
3086 3042.63693 2214.27931 0.000324044
3054 2997.10911 2212.5933 0.000327439
3062 2958.39557 2210.91211 0.000326584
3127 2925.91158 2209.23567 0.000319795
2935 2899.07928 2207.56388 0.000340716
2955 2877.23699 2205.89669 0.000338409
2981 2859.96045 2204.234 0.000335458
2944 2846.85797 2202.57575 0.000339674
2945 2837.6234 2200.92185 0.000339559
2871 2832.03549 2199.27224 0.000348311
2833 2829.95601 2197.62683 0.000352983
2906 2831.32758 2195.98556 0.000344116
2987 2836.1711 2194.34834 0.000334784
2945 2844.58425 2192.71512 0.000339559
2975 2856.73962 2191.0858 0.000336134
3128 2872.88376 2189.46032 0.000319693
3021 2893.33665 2187.83862 0.000331016
3098 2918.8913 2186.2206 0.000322789
3144 2949.21479 2184.60621 0.000318066
3138 2985.4358 2182.99538 0.000318674
3248 3027.75001 2181.38803 0.000307882
3228 3076.99014 2179.78409 0.000309789
3471 3133.80177 2178.1835 0.000288101
3430 3198.78811 2176.58618 0.000291545
3673 3272.42927 2174.99206 0.000272257
3596 3354.97997 2173.40108 0.000278087
3721 3446.36688 2171.81318 0.000268745
3833 3546.14197 2170.22827 0.000260892
4010 3653.56821 2168.6463 0.000249377
4154 3767.90235 2167.0672 0.000240732
4181 3888.84333 2165.49091 0.000239177
4387 4016.98669 2163.91735 0.000227946
4557 4154.037 2162.34646 0.000219443
4769 4302.60633 2160.77818 0.000209688
5054 4465.58551 2159.21244 0.000197863
5022 4645.24511 2157.64918 0.000199124
5271 4842.27223 2156.08834 0.000189717
5685 5054.97359 2154.52985 0.000175901
5921 5278.87678 2152.97365 0.00016889
6117 5506.9631 2151.41967 0.000163479
6391 5730.65961 2149.86786 0.00015647
6480 5941.35371 2148.31816 0.000154321
6704 6131.74219 2146.7705 0.000149165
6972 6296.18668 2145.22482 0.000143431
7158 6429.79427 2143.68106 0.000139704
7362 6526.68804 2142.13917 0.000135833
7480 6579.06645 2140.59908 0.00013369
7433 6577.82576 2139.06074 0.000134535
7202 6515.16669 2137.52408 0.00013885
7159 6388.03477 2135.98905 0.000139684
6969 6201.02504 2134.45558 0.000143493
6684 5963.64467 2132.92364 0.000149611
6459 5692.02848 2131.39315 0.000154823
6094 5403.30234 2129.86405 0.000164096
5744 5111.97745 2128.33631 0.000174095
5456 4830.21217 2126.80985 0.000183284
4891 4566.01218 2125.28462 0.000204457
4571 4323.97199 2123.76057 0.000218771
4418 4106.06407 2122.23765 0.000226347
4174 3912.4548 2120.71579 0.000239578
3982 3742.1747 2119.19496 0.00025113
3672 3593.60482 2117.67508 0.000272331
3560 3464.80598 2116.15611 0.000280899
3514 3353.72896 2114.63801 0.000284576
3334 3258.34886 2113.12071 0.00029994
3258 3176.74537 2111.60416 0.000306937
3239 3107.15169 2110.08832 0.000308737
3080 3047.98066 2108.57312 0.000324675
3182 2997.83599 2107.05853 0.000314268
3154 2955.51299 2105.5445 0.000317058
3075 2919.99129 2104.03096 0.000325203
3088 2890.42293 2102.51788 0.000323834
3009 2866.11738 2101.0052 0.000332336
2941 2846.52588 2099.49288 0.00034002
2956 2831.22559 2097.98086 0.000338295
2933 2819.90547 2096.46911 0.000340948
2976 2812.35421 2094.95757 0.000336022
2860 2808.45036 2093.44619 0.00034965
2919 2808.15533 2091.93494 0.000342583
2995 2811.50841 2090.42375 0.00033389
3000 2818.62424 2088.9126 0.000333333
3021 2829.69141 2087.40142 0.000331016
3018 2844.97285 2085.89019 0.000331345
2962 2864.80646 2084.37884 0.00033761
3043 2889.68769 2082.86735 0.000328623
3208 2919.94542 2081.35566 0.000311721
3197 2953.90699 2079.84373 0.000312793
3220 2996.91242 2078.33152 0.000310559
3274 3046.09481 2076.81898 0.000305437
3392 3104.57613 2075.30608 0.000294811
3409 3171.97878 2073.79276 0.000293341
3510 3249.07292 2072.279 0.0002849
3603 3336.54304 2070.76475 0.000277546
3817 3434.88833 2069.24996 0.000261986
3839 3544.29151 2067.7346 0.000260485
3950 3664.47429 2066.21863 0.000253165
4129 3794.05774 2064.702 0.000242189
4361 3932.44182 2063.18468 0.000229305
4549 4078.16635 2061.66663 0.000219829
4630 4228.86457 2060.14781 0.000215983
4771 4383.98265 2058.62819 0.0002096
5020 4544.0652 2057.10771 0.000199203
5134 4710.55828 2055.58635 0.00019478
5279 4886.13739 2054.06408 0.00018943
5469 5073.26801 2052.54084 0.000182849
5752 5273.20559 2051.01661 0.000173853
6026 5484.89943 2049.49135 0.000165948
6155 5704.17089 2047.96502 0.00016247
6443 5923.37458 2046.4376 0.000155207
6561 6131.74523 2044.90903 0.000152416
6615 6316.6083 2043.3793 0.000151172
6785 6465.46789 2041.84836 0.000147384
6944 6568.60253 2040.31618 0.000144009
7101 6621.35492 2038.78272 0.000140825
7083 6625.13452 2037.24797 0.000141183
6876 6586.61282 2035.71187 0.000145433
6750 6515.35419 2034.1744 0.000148148
6593 6420.80001 2032.63553 0.000151676
6490 6309.67372 2031.09522 0.000154083
6438 6185.26053 2029.55344 0.000155328
6167 6045.43606 2028.01016 0.000162153
5967 5887.64683 2026.46536 0.000167588
5813 5709.59895 2024.919 0.000172028
5525 5510.42963 2023.37104 0.000180995
5339 5293.29623 2021.82147 0.000187301
5225 5064.02072 2020.27024 0.000191388
4916 4829.99279 2018.71734 0.000203417
4676 4598.71208 2017.16273 0.000213858
4412 4376.60462 2015.60639 0.000226655
4162 4168.40294 2014.04828 0.000240269
4007 3977.04899 2012.48838 0.000249563
3786 3803.9525 2010.92666 0.000264131
3635 3649.37045 2009.36309 0.000275103
3490 3512.78517 2007.79766 0.000286533
3384 3393.22098 2006.23032 0.000295508
3189 3289.46606 2004.66106 0.000313578
3131 3200.2267 2003.08984 0.000319387
3065 3124.26817 2001.51665 0.000326264
3065 3060.30459 1999.94146 0.000326264
2931 3007.29116 1998.36424 0.00034118
2921 2964.29458 1996.78497 0.000342349
2936 2930.45996 1995.20362 0.000340599
2860 2905.13854 1993.62018 0.00034965
2914 2887.79797 1992.03461 0.000343171
2859 2878.03036 1990.4469 0.000349773
2831 2875.53302 1988.85701 0.000353232
2959 2880.56859 1987.26494 0.000337952
3007 2891.97068 1985.67065 0.000332557
2849 2910.01666 1984.07413 0.000351
2932 2934.4149 1982.47535 0.000341064
3028 2964.96737 1980.8743 0.000330251
3060 3000.53456 1979.27094 0.000326797
3059 3040.50011 1977.66526 0.000326904
3088 3083.86552 1976.05725 0.000323834
3288 3129.66114 1974.44687 0.000304136
3317 3177.16853 1972.83411 0.000301477
3375 3226.11219 1971.21896 0.000296296
3477 3276.71963 1969.60139 0.000287604
3593 3329.5884 1967.98137 0.000278319
3589 3385.37159 1966.35891 0.000278629
3720 3444.34465 1964.73397 0.000268817
3940 3505.95199 1963.10654 0.000253807
3983 3568.43642 1961.4766 0.000251067
3984 3628.67192 1959.84413 0.000251004
4065 3682.31864 1958.20912 0.000246002
4060 3724.39116 1956.57155 0.000246305
4100 3750.20309 1954.9314 0.000243902
4165 3756.45657 1953.28867 0.000240096
4261 3742.10167 1951.64332 0.000234687
4153 3708.64539 1949.99535 0.00024079
3966 3659.81023 1948.34474 0.000252143
3869 3600.72786 1946.69148 0.000258465
3777 3536.97601 1945.03555 0.00026476
3737 3473.75653 1943.37694 0.000267594
3644 3415.37451 1941.71563 0.000274424
3553 3365.02984 1940.05161 0.000281452
3499 3324.83246 1938.38487 0.000285796
3516 3295.92543 1936.71539 0.000284414
3478 3278.63136 1935.04317 0.000287522
3525 3272.58755 1933.36818 0.000283688
3469 3276.87874 1931.69042 0.000288268
3421 3290.20302 1930.00987 0.000292312
3444 3311.09479 1928.32653 0.00029036
3483 3337.94569 1926.64037 0.000287109
3582 3370.2336 1924.9514 0.000279174
3662 3407.03338 1923.2596 0.000273075
3678 3448.42293 1921.56495 0.000271887
3730 3494.21043 1919.86746 0.000268097
3881 3543.99887 1918.1671 0.000257666
3964 3596.58554 1916.46387 0.00025227
3989 3649.56507 1914.75776 0.000250689
4004 3699.15308 1913.04877 0.00024975
4070 3740.36669 1911.33687 0.0002457
4158 3767.71558 1909.62207 0.0002405
4180 3775.58434 1907.90435 0.000239234
4180 3761.03563 1906.18371 0.000239234
4233 3722.5483 1904.46014 0.000236239
4195 3661.43827 1902.73363 0.000238379
4102 3581.35194 1901.00417 0.000243784
3929 3487.45072 1899.27177 0.000254518
3844 3385.44092 1897.5364 0.000260146
3677 3280.35215 1895.79807 0.000271961
3621 3176.63831 1894.05676 0.000276167
3360 3077.55187 1892.31248 0.000297619
3202 2985.29035 1890.56522 0.000312305
3163 2901.1684 1888.81497 0.000316156
3080 2825.82796 1887.06172 0.000324675
2920 2759.42845 1885.30548 0.000342466
2829 2701.7966 1883.54623 0.000353482
2717 2652.53123 1881.78398 0.000368053
2623 2611.07448 1880.01871 0.000381243
2585 2576.75917 1878.25043 0.000386847
2456 2548.84708 1876.47913 0.000407166
2391 2526.56735 1874.70482 0.000418235
2444 2509.16117 1872.92747 0.000409165
2459 2495.92994 1871.1471 0.000406669
2429 2486.27532 1869.3637 0.000411692
2371 2479.71567 1867.57727 0.000421763
2293 2475.93338 1865.7878 0.00043611
2301 2474.45068 1863.9953 0.000434594
2321 2474.94755 1862.19976 0.000430849
2351 2476.94094 1860.40118 0.000425351
2364 2479.65326 1858.59957 0.000423012
2321 2482.1982 1856.79491 0.000430849
2293 2483.50725 1854.98721 0.00043611
2329 2482.49837 1853.17647 0.000429369
2233 2478.26269 1851.36269 0.000447828
2226 2470.26775 1849.54587 0.000449236
2281 2458.40387 1847.72601 0.000438404
2278 2443.10821 1845.90311 0.000438982
2255 2425.20856 1844.07718 0.000443459
2288 2405.74166 1842.2482 0.000437063
2325 2385.82796 1840.41619 0.000430108
2299 2366.47837 1838.58115 0.000434972
2340 2348.50643 1836.74307 0.00042735
2279 2332.47867 1834.90196 0.000438789
2212 2318.71327 1833.05783 0.00045208
2253 2307.308 1831.21067 0.000443853
2279 2298.18656 1829.36049 0.000438789
2313 2291.15774 1827.50729 0.000432339
2291 2285.97938 1825.65107 0.000436491
2280 2282.41636 1823.79184 0.000438596
2362 2280.27687 1821.92961 0.00042337
2370 2279.42282 1820.06437 0.000421941
2311 2279.71008 1818.19613 0.000432713
2350 2280.96841 1816.32489 0.000425532
2344 2282.90748 1814.45066 0.000426621
2415 2285.05361 1812.57345 0.000414079
2438 2286.75055 1810.69325 0.000410172
2457 2287.18614 1808.81008 0.000407
2466 2285.50066 1806.92394 0.000405515
2487 2280.93917 1805.03484 0.000402091
2446 2273.00765 1803.14277 0.000408831
2454 2261.58072 1801.24776 0.000407498
2422 2246.92467 1799.3498 0.000412882
2373 2229.63411 1797.4489 0.000421408
2351 2210.5093 1795.54507 0.000425351
2318 2190.41763 1793.63831 0.000431406
2308 2170.1756 1791.72864 0.000433276
2262 2150.47188 1789.81605 0.000442087
2234 2131.83649 1787.90056 0.000447628
2185 2114.64883 1785.98218 0.000457666
2132 2099.13775 1784.06092 0.000469043
2074 2085.4455 1782.13677 0.00048216
2115 2073.63482 1780.20976 0.000472813
2081 2063.70695 1778.27988 0.000480538
1972 2055.63532 1776.34715 0.000507099
1982 2049.36565 1774.41159 0.000504541
1960 2044.8278 1772.47318 0.000510204
1946 2042.25758 1770.53196 0.000513875
1946 2040.9358 1768.58792 0.000513875
1927 2041.08242 1766.64108 0.000518941
1888 2042.59576 1764.69144 0.000529661
1909 2045.52487 1762.73902 0.000523834
1957 2049.43713 1760.78383 0.000510986
1956 2054.10899 1758.82588 0.000511247
1960 2059.96416 1756.86517 0.000510204
1955 2066.48633 1754.90173 0.000511509
1920 2072.16221 1752.93556 0.000520833
1944 2080.21801 1750.96667 0.000514403
1937 2088.03506 1748.99508 0.000516262
1892 2097.2514 1747.02079 0.000528541
1954 2106.92987 1745.04382 0.000511771
1964 2116.95079 1743.06419 0.000509165
1934 2127.16254 1741.0819 0.000517063
1903 2137.41245 1739.09696 0.000525486
1901 2147.55433 1737.1094 0.000526039
1996 2157.5401 1735.11922 0.000501002
1989 2167.41902 1733.12643 0.000502765
1963 2177.32686 1731.13106 0.000509424
1979 2187.47587 1729.13311 0.000505306
1991 2198.08488 1727.13259 0.00050226
2011 2209.32974 1725.12953 0.000497265
2035 2221.31015 1723.12393 0.0004914
2040 2234.0433 1721.11581 0.000490196
2047 2247.48687 1719.10519 0.00048852
2064 2261.56318 1717.09207 0.000484496
2105 2276.20909 1715.07648 0.000475059
2098 2291.18883 1713.05842 0.000476644
2077 2305.6844 1711.03792 0.000481464
2154 2320.14019 1709.01499 0.000464253
2179 2333.88203 1706.98965 0.000458926
2178 2345.61262 1704.96191 0.000459137
2210 2354.20372 1702.93178 0.000452489
2221 2358.46912 1700.89928 0.000450248
2218 2357.39922 1698.86444 0.000450857
2240 2350.37613 1696.82726 0.000446429
2241 2337.31705 1694.78776 0.000446229
2231 2318.79857 1692.74596 0.000448229
2227 2295.58717 1690.70188 0.000449035
2234 2269.04143 1688.65553 0.000447628
2219 2240.53777 1686.60693 0.000450653
2136 2211.44305 1684.55609 0.000468165
2077 2182.80755 1682.50305 0.000481464
2043 2155.59667 1680.4478 0.000489476
2020 2130.49656 1678.39038 0.00049505
2083 2107.99069 1676.33079 0.000480077
2052 2088.40169 1674.26907 0.000487329
2016 2071.93472 1672.20521 0.000496032
2006 2058.71478 1670.13925 0.000498504
1996 2048.81624 1668.07121 0.000501002
1985 2042.28419 1666.00109 0.000503778
1929 2039.14922 1663.92893 0.000518403
1957 2039.43649 1661.85474 0.000510986
2006 2043.17072 1659.77853 0.000498504
2034 2050.37662 1657.70033 0.000491642
2083 2061.07666 1655.62017 0.000480077
2088 2075.45721 1653.53804 0.000478927
2072 2093.16508 1651.45399 0.000482625
2117 2114.3789 1649.36802 0.000472367
2178 2138.90136 1647.28017 0.000459137
2233 2166.68865 1645.19044 0.000447828
2304 2197.28701 1643.09885 0.000434028
2357 2230.7708 1641.00544 0.000424268
2386 2265.87813 1638.91022 0.000419111
2423 2302.40839 1636.81321 0.000412712
2439 2339.74732 1634.71443 0.000410004
2461 2377.46912 1632.6139 0.000406339
2568 2414.64217 1630.51165 0.000389408
2688 2450.87107 1628.40769 0.000372024
2705 2485.50875 1626.30205 0.000369686
2670 2517.72844 1624.19475 0.000374532
2712 2546.4296 1622.08581 0.000368732
2727 2570.20724 1619.97525 0.000366703
2722 2587.43074 1617.86309 0.000367377
2773 2596.44573 1615.74937 0.00036062
2735 2595.864 1613.63409 0.000365631
2650 2584.85808 1611.51729 0.000377358
2632 2563.38939 1609.39898 0.000379939
2567 2532.16552 1607.27918 0.00038956
2494 2492.66223 1605.15793 0.000400962
2435 2446.80105 1603.03524 0.000410678
2339 2396.70512 1600.91114 0.000427533
2318 2344.39939 1598.78564 0.000431406
2253 2291.69379 1596.65878 0.000443853
2166 2240.03947 1594.53058 0.000461681
2122 2190.68375 1592.40105 0.000471254
2041 2144.03662 1590.27023 0.000489956
2008 2100.82674 1588.13814 0.000498008
1990 2061.0823 1586.00479 0.000502513
1936 2025.1185 1583.87023 0.000516529
1923 1992.63011 1581.73446 0.000520021
1900 1963.68866 1579.59751 0.000526316
1853 1938.05075 1577.45942 0.000539665
1856 1915.52571 1575.3202 0.000538793
1844 1895.93262 1573.17987 0.000542299
1834 1879.06239 1571.03847 0.000545256
1825 1864.71121 1568.89602 0.000547945
1819 1852.68612 1566.75253 0.000549753
1810 1842.80874 1564.60805 0.000552486
1823 1834.91751 1562.46258 0.000548546
1847 1826.77085 1560.31617 0.000541419
1790 1822.44853 1558.16882 0.000558659
1782 1818.67809 1556.02058 0.000561167
1814 1817.46402 1553.87146 0.000551268
1830 1817.65986 1551.72149 0.000546448
1838 1819.18323 1549.5707 0.00054407
1851 1821.96002 1547.4191 0.000540249
1887 1825.9261 1545.26674 0.000529942
1943 1831.02975 1543.11362 0.000514668
1955 1837.23328 1540.95979 0.000511509
1952 1844.51118 1538.80527 0.000512295
1911 1852.84358 1536.65007 0.000523286
1957 1862.20543 1534.49424 0.000510986
2029 1872.55436 1532.33779 0.000492854
1990 1883.82179 1530.18075 0.000502513
1992 1895.912 1528.02316 0.000502008
2071 1908.78222 1525.86502 0.000482859
2057 1922.2294 1523.70639 0.000486145
2083 1936.14893 1521.54727 0.000480077
2049 1950.54652 1519.38769 0.000488043
1994 1965.4615 1517.2277 0.000501505
2003 1980.87596 1515.0673 0.000499251
1992 1996.79334 1512.90653 0.000502008
1983 2013.18453 1510.74542 0.000504286
1996 2029.87868 1508.58399 0.000501002
1968 2046.54468 1506.42227 0.00050813
1936 2062.67563 1504.2603 0.000516529
1952 2077.61228 1502.09808 0.000512295
1847 2090.61252 1499.93567 0.000541419
1812 2101.02235 1497.77307 0.000551876
1886 2108.163 1495.61033 0.000530223
1921 2111.81692 1493.44747 0.000520562
1871 2112.06012 1491.28451 0.000534474
1829 2109.36603 1489.12149 0.000546747
1875 2104.43318 1486.95843 0.000533333
1888 2098.27422 1484.79536 0.000529661
1863 2091.9801 1482.63231 0.000536769
1779 2086.71973 1480.46932 0.000562114
1820 2083.35306 1478.3064 0.000549451
1859 2082.83319 1476.14358 0.000537924
1882 2085.87943 1473.9809 0.00053135
1903 2093.08718 1471.81838 0.000525486
1881 2104.78236 1469.65606 0.000531632
1874 2121.25578 1467.49396 0.000533618
1864 2142.61304 1465.33211 0.000536481
1876 2168.80374 1463.17053 0.000533049
1895 2199.59994 1461.00927 0.000527704
1924 2234.56194 1458.84834 0.000519751
1995 2272.99986 1456.68778 0.000501253
2019 2313.89351 1454.52762 0.000495295
2005 2355.89525 1452.36788 0.000498753
2109 2397.28702 1450.2086 0.000474158
2128 2436.03249 1448.0498 0.000469925
2160 2469.88111 1445.89151 0.000462963
2214 2496.5941 1443.73377 0.000451671
2230 2514.19378 1441.5766 0.00044843
2194 2521.24176 1439.42004 0.000455789
2235 2517.05129 1437.26411 0.000447427
2318 2501.78268 1435.10884 0.000431406
2344 2476.40003 1432.95426 0.000426621
2314 2442.50897 1430.8004 0.000432152
2324 2402.12131 1428.6473 0.000430293
2292 2357.40487 1426.49498 0.0004363
2303 2310.46448 1424.34347 0.000434216
2275 2263.18557 1422.1928 0.00043956
2208 2217.14819 1420.043 0.000452899
2199 2173.60282 1417.89411 0.000454752
2199 2133.48905 1415.74615 0.000454752
2144 2097.47729 1413.59915 0.000466418
2065 2066.01742 1411.45314 0.000484262
2054 2039.38373 1409.30816 0.000486855
2009 2017.71213 1407.16423 0.00049776
1940 2001.02824 1405.02138 0.000515464
1953 1989.25267 1402.87965 0.000512033
1952 1982.54301 1400.73907 0.000512295
1965 1980.18007 1398.59966 0.000508906
1979 1982.15864 1396.46145 0.000505306
1963 1988.24343 1394.32448 0.000509424
1872 1998.27748 1392.18878 0.000534188
1945 2011.7112 1390.05438 0.000514139
1949 2026.95022 1387.9213 0.000513084
1915 2046.42076 1385.78959 0.000522193
1969 2068.24115 1383.65926 0.000507872
1984 2091.10633 1381.53036 0.000504032
1962 2115.5913 1379.4029 0.000509684
1964 2139.95477 1377.27693 0.000509165
1905 2162.90749 1375.15247 0.000524934
1946 2182.97801 1373.02955 0.000513875
1968 2198.60698 1370.90821 0.00050813
2052 2208.30982 1368.78847 0.000487329
2038 2210.86425 1366.67037 0.000490677
2010 2205.48305 1364.55393 0.000497512
1918 2190.96867 1362.4392 0.000521376
1934 2169.57447 1360.32619 0.000517063
1958 2140.69703 1358.21494 0.000510725
1929 2106.51198 1356.10548 0.000518403
1940 2067.95847 1353.99785 0.000515464
1892 2026.50141 1351.89207 0.000528541
1837 1983.51528 1349.78817 0.000544366
1814 1940.1944 1347.68618 0.000551268
1783 1897.5084 1345.58615 0.000560852
1771 1856.19732 1343.48808 0.000564653
1748 1816.79029 1341.39203 0.000572082
1714 1779.71932 1339.29802 0.000583431
1667 1745.02767 1337.20607 0.00059988
1596 1712.89249 1335.11623 0.000626566
1613 1683.32636 1333.02852 0.000619963
1586 1656.28121 1330.94297 0.000630517
1519 1631.70713 1328.85962 0.000658328
1500 1609.40144 1326.77849 0.000666667
1505 1589.26521 1324.69962 0.000664452
1489 1571.14797 1322.62303 0.000671592
1425 1554.89469 1320.54877 0.000701754
1488 1540.35124 1318.47685 0.000672043
1470 1527.36842 1316.40732 0.000680272
1440 1515.80556 1314.34019 0.000694444
1471 1505.53236 1312.27551 0.00067981
1442 1496.43169 1310.21331 0.000693481
1464 1488.40034 1308.1536 0.00068306
1408 1481.35007 1306.09644 0.000710227
1426 1475.20769 1304.04184 0.000701262
1391 1469.91559 1301.98984 0.000718907
1386 1465.43145 1299.94047 0.000721501
1426 1461.72703 1297.89376 0.000701262
1372 1458.78926 1295.84974 0.000728863
1360 1456.61809 1293.80844 0.000735294
1426 1455.22531 1291.7699 0.000701262
1434 1454.63577 1289.73413 0.00069735
1369 1454.88391 1287.70119 0.00073046
1393 1456.08047 1285.67109 0.000717875
1444 1458.2553 1283.64386 0.000692521
1440 1461.31065 1281.61955 0.000694444
1435 1465.4194 1279.59817 0.000696864
1455 1470.67891 1277.57976 0.000687285
1424 1477.14138 1275.56435 0.000702247
1460 1484.78826 1273.55198 0.000684932
1455 1493.86719 1271.54266 0.000687285
1447 1504.13508 1269.53644 0.000691085
1512 1515.75218 1267.53334 0.000661376
1482 1528.71224 1265.53339 0.000674764
1527 1542.97388 1263.53663 0.000654879
1513 1558.52041 1261.54308 0.000660939
1585 1575.18501 1259.55278 0.000630915
1576 1592.57991 1257.56575 0.000634518
1686 1610.52274 1255.58203 0.00059312
1676 1628.61824 1253.60165 0.000596659
1664 1646.43574 1251.62464 0.000600962
1686 1663.27767 1249.65102 0.00059312
1740 1677.93271 1247.68083 0.000574713
1768 1691.03043 1245.7141 0.000565611
1779 1700.88397 1243.75086 0.000562114
1726 1707.59304 1241.79114 0.000579374
1808 1710.40642 1239.83497 0.000553097
1864 1709.08205 1237.88238 0.000536481
1819 1703.62595 1235.9334 0.000549753
1798 1694.20932 1233.98806 0.000556174
1785 1681.27679 1232.04639 0.000560224
1782 1665.40912 1230.10842 0.000561167
1776 1647.28545 1228.17418 0.000563063
1716 1627.61797 1226.2437 0.000582751
1685 1607.09589 1224.31701 0.000593472
1680 1586.34308 1222.39414 0.000595238
1675 1565.89174 1220.47512 0.000597015
1619 1546.17236 1218.55998 0.000617665
1591 1527.51498 1216.64875 0.000628536
1529 1510.15807 1214.74146 0.000654022
1509 1494.26107 1212.83813 0.000662691
1460 1479.9173 1210.9388 0.000684932
1487 1467.17303 1209.04351 0.000672495
1471 1456.07885 1207.15226 0.00067981
1418 1446.44889 1205.26511 0.000705219
1363 1438.274 1203.38207 0.000733676
1410 1431.43814 1201.50317 0.00070922
1412 1425.83332 1199.62845 0.000708215
1384 1421.19796 1197.75793 0.000722543
1372 1417.36256 1195.89164 0.000728863
1392 1414.09312 1194.02962 0.000718391
1446 1411.14147 1192.17188 0.000691563
1380 1408.25988 1190.31847 0.000724638
1357 1405.2194 1188.4694 0.00073692
1366 1401.82866 1186.62471 0.000732064
1373 1397.94962 1184.78442 0.000728332
1379 1393.50605 1182.94857 0.000725163
1368 1387.7773 1181.11718 0.000730994
1391 1382.2221 1179.29028 0.000718907
1410 1375.84441 1177.4679 0.00070922
1379 1369.55514 1175.65006 0.000725163
1316 1362.90878 1173.83681 0.000759878
1387 1356.09739 1172.02815 0.000720981
1354 1349.19996 1170.22413 0.000738552
1262 1342.42023 1168.42477 0.000792393
1259 1335.52369 1166.6301 0.000794281
1312 1328.69271 1164.84014 0.000762195
1280 1321.96379 1163.05493 0.00078125
1309 1315.42155 1161.27449 0.000763942
1341 1309.01083 1159.49885 0.000745712
1330 1302.82076 1157.72804 0.00075188
1320 1296.8935 1155.96207 0.000757576
1291 1291.26925 1154.201 0.000774593
1298 1285.98311 1152.44483 0.000770416
1272 1281.06363 1150.69359 0.000786164
1253 1276.53154 1148.94732 0.000798085
1305 1272.43225 1147.20604 0.000766284
1286 1268.70462 1145.46978 0.000777605
1263 1265.37964 1143.73856 0.000791766
1303 1262.44959 1142.01241 0.00076746
1297 1259.90265 1140.29136 0.00077101
1197 1257.74078 1138.57544 0.000835422
1274 1255.91532 1136.86466 0.000784929
1280 1254.42825 1135.15906 0.00078125
1275 1253.27462 1133.45867 0.000784314
1270 1252.437 1131.7635 0.000787402
1353 1251.92475 1130.0736 0.000739098
1329 1251.75025 1128.38897 0.000752445
1246 1251.9377 1126.70965 0.000802568
1232 1252.52529 1125.03567 0.000811688
1259 1253.55262 1123.36704 0.000794281
1256 1255.07739 1121.7038 0.000796178
1242 1257.16254 1120.04597 0.000805153
1257 1259.87703 1118.39358 0.000795545
1263 1263.37246 1116.74664 0.000791766
1282 1267.56624 1115.1052 0.000780031
1312 1272.62241 1113.46926 0.000762195
1288 1278.49843 1111.83886 0.000776398
1253 1285.49059 1110.21403 0.000798085
1289 1293.63044 1108.59478 0.000775795
1348 1302.85026 1106.98114 0.00074184
1299 1313.33899 1105.37313 0.000769823
1316 1325.10752 1103.77079 0.000759878
1424 1338.19706 1102.17413 0.000702247
1325 1352.63233 1100.58318 0.000754717
1364 1368.4171 1098.99796 0.000733138
1371 1385.52891 1097.4185 0.000729395
1382 1403.91243 1095.84482 0.000723589
1440 1423.47276 1094.27694 0.000694444
1389 1444.05668 1092.71489 0.000719942
1398 1465.46478 1091.15869 0.000715308
1412 1487.37641 1089.60837 0.000708215
1482 1509.41776 1088.06395 0.000674764
1498 1531.10153 1086.52544 0.000667557
1502 1551.83163 1084.99288 0.000665779
1474 1571.08269 1083.46629 0.000678426
1546 1587.86296 1081.94569 0.000646831
1518 1601.58786 1080.4311 0.000658762
1537 1611.62291 1078.92255 0.000650618
1566 1617.46819 1077.42005 0.00063857
1538 1618.89185 1075.92363 0.000650195
1494 1615.70754 1074.43332 0.000669344
1509 1608.15708 1072.94913 0.000662691
1597 1596.63144 1071.47108 0.000626174
1571 1581.68449 1069.9992 0.000636537
1546 1563.97278 1068.53352 0.000646831
1518 1544.19348 1067.07404 0.000658762
1487 1523.03102 1065.62079 0.000672495
1550 1501.11663 1064.1738 0.000645161
1490 1478.87904 1062.73308 0.000671141
1476 1457.03011 1061.29866 0.000677507
1450 1435.75592 1059.87055 0.000689655
1452 1415.47019 1058.44878 0.000688705
1421 1396.32531 1057.03337 0.00070373
1484 1378.47298 1055.62433 0.000673854
1395 1362.01248 1054.2217 0.000716846
1379 1347.00105 1052.82548 0.000725163
1380 1333.46279 1051.43569 0.000724638
1427 1321.39721 1050.05237 0.000700771
1334 1310.78584 1048.67552 0.000749625
1376 1301.59793 1047.30517 0.000726744
1364 1293.79443 1045.94133 0.000733138
1435 1287.33027 1044.58403 0.000696864
1346 1282.15523 1043.23329 0.000742942
1420 1278.21401 1041.88912 0.000704225
1432 1275.47149 1040.55153 0.000698324
1364 1273.80525 1039.22056 0.000733138
1442 1273.16318 1037.89622 0.000693481
1385 1273.45683 1036.57853 0.000722022
1338 1274.60157 1035.2675 0.000747384
1400 1276.46567 1033.96315 0.000714286
1447 1278.95386 1032.6655 0.000691085
1364 1281.96039 1031.37458 0.000733138
1441 1285.38946 1030.09039 0.000693963
1469 1289.16206 1028.81295 0.000680735
1393 1293.22192 1027.54228 0.000717875
1484 1297.53655 1026.2784 0.000673854
1455 1302.09664 1025.02132 0.000687285
1394 1306.90985 1023.77107 0.00071736
1448 1311.99519 1022.52765 0.000690608
1422 1317.36124 1021.29109 0.000703235
1373 1323.0131 1020.06139 0.000728332
1404 1328.93183 1018.83859 0.000712251
1386 1335.07358 1017.62268 0.000721501
1266 1341.37078 1016.41369 0.000789889
1316 1347.72273 1015.21163 0.000759878
1320 1354.05894 1014.01652 0.000757576
1297 1360.28739 1012.82838 0.00077101
1368 1366.3526 1011.64721 0.000730994
1262 1372.26332 1010.47304 0.000792393
1352 1378.07325 1009.30587 0.000739645
1312 1383.90647 1008.14573 0.000762195
1346 1389.94893 1006.99262 0.000742942
1246 1396.38099 1005.84656 0.000802568
1273 1403.58707 1004.70756 0.000785546
1266 1411.79918 1003.57565 0.000789889
1326 1421.28077 1002.45082 0.000754148
1313 1432.34949 1001.3331 0.000761615
1297 1445.22023 1000.2225 0.00077101
1367 1460.09049 999.11902 0.000731529
1378 1477.10803 998.0227 0.000725689
1407 1496.3661 996.93352 0.000710732
1449 1517.88832 995.85152 0.000690131
1402 1541.6815 994.77669 0.000713267
1374 1567.5337 993.70906 0.000727802
1482 1595.28278 992.64864 0.000674764
1465 1624.63515 991.59542 0.000682594
1538 1655.20206 990.54944 0.000650195
1629 1686.52899 989.5107 0.000613874
1689 1718.01213 988.4792 0.000592066
1590 1749.05424 987.45497 0.000628931
1631 1779.00028 986.43801 0.000613121
1684 1807.18283 985.42832 0.000593824
1703 1832.9518 984.42594 0.000587199
1792 1855.67928 983.43085 0.000558036
1820 1874.79909 982.44307 0.000549451
1804 1889.80521 981.46262 0.000554324
1788 1900.05866 980.4895 0.000559284
1821 1905.66717 979.52372 0.000549149
1881 1906.21948 978.56529 0.000531632
1829 1901.57677 977.61421 0.000546747
1964 1892.09928 976.6705 0.000509165
1898 1878.01616 975.73417 0.00052687
1953 1859.84426 974.80522 0.000512033
1929 1838.25468 973.88367 0.000518403
1827 1814.03083 972.96951 0.000547345
1801 1788.01909 972.06276 0.000555247
1840 1761.11961 971.16342 0.000543478
1782 1734.06872 970.27151 0.000561167
1717 1707.65751 969.38702 0.000582411
1638 1682.53515 968.50997 0.000610501
1661 1659.23735 967.64036 0.000602047
1672 1638.20458 966.7782 0.000598086
1585 1619.69772 965.92349 0.000630915
1535 1603.93781 965.07624 0.000651466
1578 1591.02935 964.23646 0.000633714
1528 1580.99283 963.40415 0.00065445
1494 1573.77461 962.57931 0.000669344
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1077 1062.218 943.58794 0.000928505
1053 1063.93313 942.32668 0.000949668
1081 1065.53754 941.04326 0.000925069
1130 1066.99225 939.73749 0.000884956
1143 1068.26001 938.4092 0.000874891
1102 1069.30724 937.05822 0.000907441
1111 1070.10605 935.68437 0.00090009
1114 1070.63617 934.28747 0.000897666
1184 1070.88655 932.86734 0.000844595
1204 1070.85619 931.42381 0.000830565
1175 1070.5556 929.95671 0.000851064
1178 1070.00512 928.46584 0.000848896
1204 1069.23493 926.95103 0.000830565
1180 1068.28386 925.4121 0.000847458
1144 1067.19693 923.84887 0.000874126
1115 1066.00346 922.26115 0.000896861
1179 1064.79663 920.64877 0.000848176
1145 1063.60895 919.01153 0.000873362
1141 1062.49244 917.34927 0.000876424
1161 1061.48659 915.66178 0.000861326
1092 1060.65807 913.9489 0.000915751
1126 1060.03879 912.21042 0.000888099
1124 1059.66618 910.44617 0.00088968
1132 1059.5726 908.65596 0.000883392
1108 1059.78513 906.8396 0.000902527
1140 1060.32525 904.9969 0.000877193
1129 1061.20865 903.12768 0.00088574
1121 1062.44489 901.23174 0.000892061
1142 1064.03712 899.30889 0.000875657
1106 1065.9817 897.35895 0.000904159
1073 1068.26786 895.38172 0.000931966
1132 1070.87758 893.37701 0.000883392
1161 1073.78546 891.34462 0.000861326
1158 1076.9589 889.28437 0.000863558
1175 1080.31048 887.19606 0.000851064
1168 1083.89122 885.07949 0.000856164
1184 1087.60243 882.93447 0.000844595
1170 1091.38977 880.7608 0.000854701
1208 1095.17213 878.55829 0.000827815
1280 1098.93885 876.32674 0.00078125
1260 1102.60595 874.06594 0.000793651
1239 1106.11287 871.77571 0.000807103
1236 1109.39811 869.45585 0.000809061
1246 1112.39881 867.10614 0.000802568
1298 1115.04983 864.7264 0.000770416
1309 1117.28299 862.31642 0.000763942
1308 1119.02679 859.87599 0.000764526
1325 1120.20638 857.40492 0.000754717
1268 1120.74472 854.90301 0.000788644
1325 1120.5646 852.37004 0.000754717
1334 1119.59165 849.80581 0.000749625
1341 1117.75814 847.21013 0.000745712
1307 1115.00707 844.58277 0.000765111
1265 1111.29641 841.92354 0.000790514
1262 1106.60247 839.23223 0.000792393
1276 1100.9224 836.50863 0.000783699
1268 1094.27528 833.75253 0.000788644
1233 1086.70179 830.96372 0.00081103
1256 1078.2625 828.14199 0.000796178
1288 1069.03505 825.28714 0.000776398
1300 1059.11045 822.39894 0.000769231
1294 1048.58891 819.47719 0.000772798
1214 1037.57556 816.52167 0.000823723
1214 1026.17638 813.53217 0.000823723
1278 1014.49472 810.50849 0.000782473
1275 1002.54095 807.45039 0.000784314
1275 990.5797 804.35767 0.000784314
1316 978.60394 801.2301 0.000759878
1295 966.65973 798.06748 0.000772201
1318 954.81322 794.86959 0.000758725
1260 943.17772 791.6362 0.000793651
1287 931.75088 788.3671 0.000777001
1363 920.55333 785.06207 0.000733676
1325 0 0 0.000754717
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_B2
_database_code_depnum_ccdc_archive 'CCDC 1527307'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2016-12-26T16:51|B2|Uribe-Romo|MiniFlex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2016-12-26T16:51

#=============================================================================
# 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           2016-12-26T16:51
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     60
_refine_ls_goodness_of_fit_all   5.623

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.09196
_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        MIL-125-NHhep
_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_diffrn    ?
_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 MIL-125-NHhep_1 follows
_pd_phase_name                   MIL-125-NHhep_1
_cell_length_a                   18.854(27)
_cell_length_b                   18.854(27)
_cell_length_c                   18.292(23)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6502(27)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.08(20) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -0.4(8) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.1(5) 32
C4 C 0.07585 0.93031 0.95298 0.130 Uiso 0.2(10) 32
C5 C 0.69041 0.84186 0.43699 0.130 Uiso -0.1(15) 32
C6 C -0.40901 0.75345 0.92554 0.130 Uiso -0.3(6) 32
C7 C 0.46480 0.29270 0.84857 0.130 Uiso -5.4(7) 32
C8 C 0.27840 -0.73561 0.63308 0.130 Uiso -0.0(5) 32
C9 C 0.70044 0.28626 0.84446 0.130 Uiso -0.3(7) 32
C10 C 0.44058 0.26993 0.82850 0.130 Uiso -2.1(7) 32
C11 C 0.57914 0.42088 0.75984 0.130 Uiso -2.7(5) 32
C12 C 0.75979 0.14703 0.73076 0.130 Uiso 0.5(29) 32
C13 C 0.81982 0.22603 0.78947 0.130 Uiso 0.1(5) 32
C14 C -0.83465 1.63676 -0.05299 0.130 Uiso -1.1(9) 32
C15 C 0.71684 0.61524 0.74327 0.130 Uiso -4.1(11) 32
C16 C 1.17159 0.61056 0.58168 0.130 Uiso 2(6) 32
C17 C 0.28572 0.75665 0.21800 0.130 Uiso -0.1(7) 32
C18 C 0.87058 0.61801 0.21472 0.130 Uiso -2.7(9) 32
C19 C 0.47749 0.48109 0.34771 0.130 Uiso 1(14) 32
C20 C 0.95350 0.76164 0.36406 0.130 Uiso -0.3(7) 32
C21 C 0.55010 0.54162 0.28089 0.130 Uiso 0.3(28) 32
C22 C 0.49006 0.47606 0.35509 0.130 Uiso 2(15) 32
C23 C 0.47193 0.55935 0.29016 0.130 Uiso -4(3) 32
C24 C 1.03697 0.03807 0.20403 0.130 Uiso -3.3(19) 32
Ti25 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.17(15) 16
O26 O 0.31110 0.05800 0.50000 0.500 Uiso 1.0(7) 16
C27 C 0.46333 0.06514 0.50000 0.500 Uiso 0.6(5) 16
N28 N 0.42348 0.12294 0.50000 0.130 Uiso 0.1(11) 16
O29 O 0.18190 0.00000 0.42650 0.500 Uiso -0.39(16) 16
O30 O 0.10740 0.10740 0.50000 0.250 Uiso -0.7(4) 8
C31 C 0.35070 0.00000 0.50000 0.250 Uiso 0.1(11) 8
C32 C 0.42650 0.00000 0.50000 0.250 Uiso -1.9(8) 8
C33 C 0.19400 0.19400 0.40230 0.500 Uiso -0.9(5) 16
C34 C 0.22250 0.22250 0.32090 0.500 Uiso -0.1(4) 16
Ow18 O 0.00000 0.00000 0.543(6) 2.20(27) Uiso 0.253 4
Ow22 O 0.00000 0.215(6) 0.00000 2.09(23) Uiso 0.253 8

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 119.52
N 10.08
O 75.544
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C3.735 N0.315 O2.361 Ti0.25'
_chemical_formula_weight         99.02

# 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
O1 C5 1.61058 1_555 3_665 yes
O1 C6 1.13002 1_555 24_454 yes
O1 C9 1.85613 1_555 18_544 yes
O1 Ti25 1.91174 1_555 1_555 yes
O1 C33 1.20175 1_555 1_555 yes
C2 C2 1.43062 1_555 32_555 yes
C2 N3 1.38835 1_555 1_555 yes
C2 C9 1.68862 1_555 23_454 yes
C2 C12 1.19223 1_555 10_566 yes
C2 C13 1.72027 1_555 15_656 yes
C2 C13 1.69553 1_555 18_544 yes
C2 C17 1.54295 1_555 2_655 yes
C2 C17 1.74323 1_555 26_455 yes
C2 C17 0.61534 1_555 31_545 yes
C2 C34 1.40931 1_555 1_555 yes
N3 C2 1.38835 1_555 1_555 yes
N3 C12 1.70271 1_555 10_566 yes
N3 C18 1.25734 1_555 30_445 yes
C4 C4 1.72018 1_555 11_557 yes
C4 C4 1.72801 1_555 16_667 yes
C5 O1 1.61058 1_555 3_665 yes
C5 C6 1.66361 1_555 22_654 yes
C5 C14 0.64762 1_555 23_675 yes
C5 C16 1.56442 1_555 10_576 yes
C6 O1 1.13002 1_555 24_455 yes
C6 C5 1.66361 1_555 22_565 yes
C6 C14 1.80076 1_555 4_356 yes
C6 C20 1.43163 1_555 19_565 yes
C6 Ti25 1.63772 1_555 24_455 yes
C6 O26 1.85016 1_555 24_455 yes
C7 C7 1.32739 1_555 5_655 yes
C7 C10 0.72642 1_555 1_555 yes
C7 C10 1.87137 1_555 5_655 yes
C7 C20 0.68458 1_555 17_445 yes
C7 C20 1.67211 1_555 21_645 yes
C7 O29 1.64367 1_555 20_555 yes
C8 C9 1.76327 1_555 28_536 yes
C8 C9 1.80044 1_555 29_446 yes
C8 C13 1.76254 1_555 28_536 yes
C8 C13 1.62787 1_555 29_446 yes
C8 C17 1.86375 1_555 20_445 yes
C8 C34 1.56313 1_555 11_546 yes
C9 O1 1.85613 1_555 20_555 yes
C9 C2 1.68862 1_555 23_555 yes
C9 C8 1.76327 1_555 26_656 yes
C9 C8 1.80044 1_555 29_546 yes
C9 C12 1.77648 1_555 30_546 yes
C9 C17 1.42404 1_555 9_666 yes
C9 C17 1.5584 1_555 14_556 yes
C9 C33 1.12808 1_555 20_555 yes
C9 C34 0.62133 1_555 20_555 yes
C10 C7 0.72642 1_555 1_555 yes
C10 C7 1.87137 1_555 5_655 yes
C10 C15 1.89751 1_555 6_665 yes
C10 C20 0.71184 1_555 17_445 yes
C11 C21 1.16406 1_555 10_566 yes
C11 C21 1.164 1_555 13_566 yes
C11 C23 1.37926 1_555 9_666 yes
C11 C23 1.37905 1_555 14_556 yes
C11 C24 1.50766 1_555 20_565 yes
C11 C24 1.50767 1_555 23_455 yes
C12 C2 1.19223 1_555 12_656 yes
C12 N3 1.70271 1_555 12_656 yes
C12 C9 1.77648 1_555 30_546 yes
C12 C13 1.271 1_555 6_665 yes
C12 C15 0.88284 1_555 31_646 yes
C12 C17 1.32599 1_555 22_655 yes
C12 C34 1.74039 1_555 12_656 yes
C13 C2 1.72027 1_555 15_656 yes
C13 C2 1.69553 1_555 20_555 yes
C13 C8 1.76254 1_555 26_656 yes
C13 C8 1.62787 1_555 29_546 yes
C13 C12 1.271 1_555 6_665 yes
C13 C13 1.2226 1_555 6_665 yes
C13 C15 1.37395 1_555 28_646 yes
C13 C17 1.64434 1_555 14_556 yes
C13 C17 1.56721 1_555 17_545 yes
C14 C5 0.64762 1_555 23_374 yes
C14 C6 1.80076 1_555 2_574 yes
C14 C16 1.33199 1_555 30_355 yes
C14 O26 1.82795 1_555 21_464 yes
C15 C10 1.89751 1_555 6_665 yes
C15 C12 0.88284 1_555 31_656 yes
C15 C13 1.37395 1_555 26_566 yes
C16 C5 1.56442 1_555 12_756 yes
C16 C14 1.33199 1_555 30_465 yes
C16 N28 1.86699 1_555 4_665 yes
C17 C2 1.54295 1_555 4_565 yes
C17 C2 1.74323 1_555 28_555 yes
C17 C2 0.61534 1_555 31_555 yes
C17 C8 1.86375 1_555 18_454 yes
C17 C9 1.42404 1_555 9_666 yes
C17 C9 1.5584 1_555 14_556 yes
C17 C12 1.32599 1_555 22_564 yes
C17 C13 1.64434 1_555 14_556 yes
C17 C13 1.56721 1_555 17_454 yes
C17 C17 1.12974 1_555 6_665 yes
C17 C17 1.80216 1_555 25_565 yes
C17 C17 1.40409 1_555 30_455 yes
C17 C34 0.97201 1_555 28_555 yes
C18 N3 1.25734 1_555 30_555 yes
C18 C18 1.32588 1_555 32_665 yes
C19 C19 0.78385 1_555 2_655 yes
C19 C19 1.10853 1_555 3_665 yes
C19 C19 0.78385 1_555 4_565 yes
C19 C19 0.84869 1_555 5_655 yes
C19 C19 1.10438 1_555 6_665 yes
C19 C19 0.71314 1_555 7_565 yes
C19 C21 1.82111 1_555 2_655 yes
C19 C21 1.39557 1_555 3_665 yes
C19 C21 1.81695 1_555 4_565 yes
C19 C21 1.75125 1_555 5_655 yes
C19 C21 1.40331 1_555 6_665 yes
C19 C21 1.88437 1_555 7_565 yes
C19 C22 0.90209 1_555 2_655 yes
C19 C22 1.02243 1_555 3_665 yes
C19 C22 0.56119 1_555 4_565 yes
C19 C22 0.63367 1_555 5_655 yes
C19 C22 1.03978 1_555 6_665 yes
C19 C22 0.85275 1_555 7_565 yes
C19 C23 1.81565 1_555 1_555 yes
C19 C23 1.27306 1_555 2_655 yes
C19 C23 1.61215 1_555 3_665 yes
C19 C23 1.5413 1_555 6_665 yes
C19 C23 1.30408 1_555 7_565 yes
C19 C23 1.87617 1_555 8_555 yes
C19 C24 1.04916 1_555 25_655 yes
C19 C24 1.52192 1_555 26_565 yes
C19 C24 1.81872 1_555 27_455 yes
C19 C24 1.44645 1_555 28_545 yes
C19 C24 1.5113 1_555 29_455 yes
C19 C24 1.81949 1_555 30_545 yes
C19 C24 1.45755 1_555 31_655 yes
C19 C24 1.04782 1_555 32_565 yes
C20 C6 1.43163 1_555 19_564 yes
C20 C7 0.68458 1_555 17_554 yes
C20 C7 1.67211 1_555 21_654 yes
C20 C10 0.71184 1_555 17_554 yes
C20 C20 1.75328 1_555 5_755 yes
C20 O29 1.79066 1_555 4_665 yes
C21 C11 1.16406 1_555 12_656 yes
C21 C11 1.164 1_555 13_566 yes
C21 C19 1.81695 1_555 2_655 yes
C21 C19 1.39557 1_555 3_665 yes
C21 C19 1.82111 1_555 4_565 yes
C21 C19 1.75125 1_555 5_655 yes
C21 C19 1.40331 1_555 6_665 yes
C21 C19 1.88437 1_555 7_565 yes
C21 C21 1.73662 1_555 2_655 yes
C21 C21 1.73662 1_555 4_565 yes
C21 C21 1.88903 1_555 5_655 yes
C21 C21 1.56948 1_555 7_565 yes
C21 C22 1.74082 1_555 2_655 yes
C21 C22 1.58946 1_555 3_665 yes
C21 C22 1.5627 1_555 6_665 yes
C21 C22 1.7985 1_555 7_565 yes
C21 C23 1.5207 1_555 1_555 yes
C21 C23 0.5593 1_555 5_655 yes
C21 C23 1.33634 1_555 8_555 yes
C21 C24 1.52425 1_555 26_565 yes
C21 C24 1.68725 1_555 28_545 yes
C21 C24 1.54747 1_555 29_455 yes
C21 C24 1.66597 1_555 31_655 yes
C22 C19 0.56119 1_555 2_655 yes
C22 C19 1.02243 1_555 3_665 yes
C22 C19 0.90209 1_555 4_565 yes
C22 C19 0.63367 1_555 5_655 yes
C22 C19 1.03978 1_555 6_665 yes
C22 C19 0.85275 1_555 7_565 yes
C22 C21 1.58946 1_555 3_665 yes
C22 C21 1.74082 1_555 4_565 yes
C22 C21 1.5627 1_555 6_665 yes
C22 C21 1.7985 1_555 7_565 yes
C22 C22 0.69123 1_555 2_655 yes
C22 C22 0.97755 1_555 3_665 yes
C22 C22 0.69123 1_555 4_565 yes
C22 C22 0.90347 1_555 6_665 yes
C22 C22 0.9028 1_555 7_565 yes
C22 C23 1.51155 1_555 2_655 yes
C22 C23 1.5396 1_555 3_665 yes
C22 C23 1.80013 1_555 6_665 yes
C22 C23 1.40481 1_555 7_565 yes
C22 C23 1.76743 1_555 8_555 yes
C22 C24 1.22495 1_555 25_655 yes
C22 C24 1.43163 1_555 26_565 yes
C22 C24 1.82186 1_555 27_455 yes
C22 C24 1.66437 1_555 28_545 yes
C22 C24 1.4224 1_555 29_455 yes
C22 C24 1.81887 1_555 30_545 yes
C22 C24 1.67227 1_555 31_655 yes
C22 C24 1.22939 1_555 32_565 yes
C23 C11 1.37926 1_555 9_666 yes
C23 C11 1.37905 1_555 14_556 yes
C23 C19 1.81565 1_555 1_555 yes
C23 C19 1.61215 1_555 3_665 yes
C23 C19 1.27306 1_555 4_565 yes
C23 C19 1.5413 1_555 6_665 yes
C23 C19 1.30408 1_555 7_565 yes
C23 C19 1.87617 1_555 8_555 yes
C23 C21 1.5207 1_555 1_555 yes
C23 C21 0.5593 1_555 5_655 yes
C23 C21 1.33634 1_555 8_555 yes
C23 C22 1.5396 1_555 3_665 yes
C23 C22 1.51155 1_555 4_565 yes
C23 C22 1.80013 1_555 6_665 yes
C23 C22 1.40481 1_555 7_565 yes
C23 C22 1.76743 1_555 8_555 yes
C23 C23 1.75057 1_555 2_655 yes
C23 C23 1.75057 1_555 4_565 yes
C23 C23 1.05859 1_555 5_655 yes
C23 C23 0.83393 1_555 6_665 yes
C23 C24 1.84743 1_555 25_655 yes
C23 C24 1.29475 1_555 27_455 yes
C23 C24 1.32075 1_555 30_545 yes
C23 C24 1.82894 1_555 32_565 yes
C24 C11 1.50766 1_555 18_644 yes
C24 C11 1.50767 1_555 23_554 yes
C24 C19 1.04916 1_555 25_655 yes
C24 C19 1.44645 1_555 26_555 yes
C24 C19 1.81872 1_555 27_545 yes
C24 C19 1.52192 1_555 28_645 yes
C24 C19 1.5113 1_555 29_555 yes
C24 C19 1.81949 1_555 30_545 yes
C24 C19 1.45755 1_555 31_645 yes
C24 C19 1.04782 1_555 32_655 yes
C24 C21 1.68725 1_555 26_555 yes
C24 C21 1.52425 1_555 28_645 yes
C24 C21 1.54747 1_555 29_555 yes
C24 C21 1.66597 1_555 31_645 yes
C24 C22 1.22495 1_555 25_655 yes
C24 C22 1.66437 1_555 26_555 yes
C24 C22 1.82186 1_555 27_545 yes
C24 C22 1.43163 1_555 28_645 yes
C24 C22 1.4224 1_555 29_555 yes
C24 C22 1.81887 1_555 30_545 yes
C24 C22 1.67227 1_555 31_645 yes
C24 C22 1.22939 1_555 32_655 yes
C24 C23 1.84743 1_555 25_655 yes
C24 C23 1.29475 1_555 27_545 yes
C24 C23 1.32075 1_555 30_545 yes
C24 C23 1.82894 1_555 32_655 yes
C24 C24 1.41503 1_555 2_645 yes
C24 C24 1.41503 1_555 4_665 yes
C24 C24 1.39425 1_555 5_755 yes
C24 C24 1.4355 1_555 7_555 yes
Ti25 O1 1.91174 1_555 1_555 yes
Ti25 O1 1.91174 1_555 11_556 yes
Ti25 C6 1.63772 1_555 24_454 yes
Ti25 C6 1.63772 1_555 30_456 yes
Ti25 Ti25 2.79044 1_555 7_555 yes
Ti25 O26 1.96156 1_555 1_555 yes
Ti25 O29 2.00047 1_555 1_555 yes
Ti25 O29 2.00047 1_555 11_556 yes
Ti25 O30 2.00392 1_555 1_555 yes
O26 C6 1.85016 1_555 24_454 yes
O26 C6 1.85016 1_555 30_456 yes
O26 C14 1.82795 1_555 21_435 yes
O26 C14 1.82795 1_555 31_435 yes
O26 Ti25 1.96156 1_555 1_555 yes
O26 C31 1.32413 1_555 1_555 yes
C27 C27 1.38278 1_555 5_655 yes
C27 N28 1.32368 1_555 1_555 yes
C27 C32 1.41089 1_555 1_555 yes
N28 C16 1.86699 1_555 2_645 yes
N28 C16 1.86699 1_555 12_646 yes
N28 C27 1.32368 1_555 1_555 yes
O29 C7 1.64367 1_555 18_544 yes
O29 C7 1.64367 1_555 22_554 yes
O29 C20 1.79066 1_555 2_645 yes
O29 C20 1.79066 1_555 6_665 yes
O29 Ti25 2.00047 1_555 1_555 yes
O29 Ti25 2.00047 1_555 7_555 yes
O30 Ti25 2.00392 1_555 1_555 yes
O30 Ti25 2.00392 1_555 8_555 yes
C31 O26 1.32413 1_555 1_555 yes
C31 O26 1.32413 1_555 7_555 yes
C31 C32 1.42916 1_555 1_555 yes
C32 C27 1.41089 1_555 1_555 yes
C32 C27 1.41089 1_555 7_555 yes
C32 C31 1.42916 1_555 1_555 yes
C33 O1 1.20175 1_555 1_555 yes
C33 O1 1.20175 1_555 8_555 yes
C33 C9 1.12808 1_555 18_544 yes
C33 C9 1.12808 1_555 23_454 yes
C33 C34 1.67165 1_555 1_555 yes
C34 C2 1.40931 1_555 1_555 yes
C34 C2 1.40931 1_555 8_555 yes
C34 C8 1.56313 1_555 11_566 yes
C34 C8 1.56313 1_555 14_656 yes
C34 C9 0.62133 1_555 18_544 yes
C34 C9 0.62133 1_555 23_454 yes
C34 C12 1.74039 1_555 10_566 yes
C34 C12 1.74039 1_555 15_656 yes
C34 C17 0.97201 1_555 26_455 yes
C34 C17 0.97201 1_555 31_545 yes
C34 C33 1.67165 1_555 1_555 yes
Ow18 Ow18 1.56(21) 1_555 9_556 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
C6 O1 Ti25 58.624 24_454 1_555 1_555 yes
C6 O1 C33 156.373 24_454 1_555 1_555 yes
Ti25 O1 C33 135.663 1_555 1_555 1_555 yes
C2 C2 N3 119.909 32_555 1_555 1_555 yes
C2 C2 C12 105.464 32_555 1_555 10_566 yes
N3 C2 C12 82.193 1_555 1_555 10_566 yes
C2 C2 C17 23.496 32_555 1_555 2_655 yes
N3 C2 C17 143.052 1_555 1_555 2_655 yes
C12 C2 C17 107.568 10_566 1_555 2_655 yes
C2 C2 C17 88.547 32_555 1_555 31_545 yes
N3 C2 C17 151.46 1_555 1_555 31_545 yes
C12 C2 C17 88.368 10_566 1_555 31_545 yes
C17 C2 C17 65.486 2_655 1_555 31_545 yes
C2 C2 C34 123.332 32_555 1_555 1_555 yes
N3 C2 C34 116.724 1_555 1_555 1_555 yes
C12 C2 C34 83.531 10_566 1_555 1_555 yes
C17 C2 C34 99.949 2_655 1_555 1_555 yes
C17 C2 C34 35.044 31_545 1_555 1_555 yes
C2 N3 C18 112.306 1_555 1_555 30_445 yes
O1 C6 C20 116.415 24_455 1_555 19_565 yes
O1 C6 Ti25 85.284 24_455 1_555 24_455 yes
C20 C6 Ti25 115.813 19_565 1_555 24_455 yes
C7 C7 C10 128.951 5_655 1_555 1_555 yes
C7 C7 C20 108.123 5_655 1_555 17_445 yes
C10 C7 C20 60.509 1_555 1_555 17_445 yes
C17 C9 C17 44.233 9_666 1_555 14_556 yes
C17 C9 C33 163.649 9_666 1_555 20_555 yes
C17 C9 C33 139.716 14_556 1_555 20_555 yes
C17 C9 C34 33.88 9_666 1_555 20_555 yes
C17 C9 C34 15.082 14_556 1_555 20_555 yes
C33 C9 C34 144.118 20_555 1_555 20_555 yes
C7 C10 C20 56.835 1_555 1_555 17_445 yes
C21 C11 C21 11.14 10_566 1_555 13_566 yes
C21 C11 C23 12.66 10_566 1_555 9_666 yes
C21 C11 C23 23.508 13_566 1_555 9_666 yes
C21 C11 C23 23.514 10_566 1_555 14_556 yes
C21 C11 C23 12.667 13_566 1_555 14_556 yes
C23 C11 C23 35.196 9_666 1_555 14_556 yes
C21 C11 C24 6.652 10_566 1_555 20_565 yes
C21 C11 C24 5.64 13_566 1_555 20_565 yes
C23 C11 C24 18.21 9_666 1_555 20_565 yes
C23 C11 C24 17.104 14_556 1_555 20_565 yes
C21 C11 C24 5.646 10_566 1_555 23_455 yes
C21 C11 C24 6.645 13_566 1_555 23_455 yes
C23 C11 C24 17.105 9_666 1_555 23_455 yes
C23 C11 C24 18.209 14_556 1_555 23_455 yes
C24 C11 C24 1.109 20_565 1_555 23_455 yes
C2 C12 C13 88.534 12_656 1_555 6_665 yes
C2 C12 C15 160.116 12_656 1_555 31_646 yes
C13 C12 C15 76.94 6_665 1_555 31_646 yes
C2 C12 C17 27.637 12_656 1_555 22_655 yes
C13 C12 C17 74.204 6_665 1_555 22_655 yes
C15 C12 C17 149.402 31_646 1_555 22_655 yes
C12 C13 C13 119.766 6_665 1_555 6_665 yes
C12 C13 C15 38.751 6_665 1_555 28_646 yes
C13 C13 C15 122.752 6_665 1_555 28_646 yes
C5 C14 C16 98.459 23_374 1_555 30_355 yes
C12 C15 C13 64.309 31_656 1_555 26_566 yes
C2 C17 C2 67.957 4_565 1_555 31_555 yes
C2 C17 C9 172.08 4_565 1_555 9_666 yes
C2 C17 C9 104.706 31_555 1_555 9_666 yes
C2 C17 C9 174.512 4_565 1_555 14_556 yes
C2 C17 C9 117.292 31_555 1_555 14_556 yes
C9 C17 C9 12.652 9_666 1_555 14_556 yes
C2 C17 C12 93.344 4_565 1_555 22_564 yes
C2 C17 C12 63.995 31_555 1_555 22_564 yes
C9 C17 C12 80.393 9_666 1_555 22_564 yes
C9 C17 C12 87.925 14_556 1_555 22_564 yes
C2 C17 C17 113.388 4_565 1_555 6_665 yes
C2 C17 C17 174.47 31_555 1_555 6_665 yes
C9 C17 C17 74.209 9_666 1_555 6_665 yes
C9 C17 C17 61.557 14_556 1_555 6_665 yes
C12 C17 C17 120.723 22_564 1_555 6_665 yes
C2 C17 C17 23.5 4_565 1_555 30_455 yes
C2 C17 C17 91.014 31_555 1_555 30_455 yes
C9 C17 C17 164.209 9_666 1_555 30_455 yes
C9 C17 C17 151.557 14_556 1_555 30_455 yes
C12 C17 C17 108.521 22_564 1_555 30_455 yes
C17 C17 C17 90 6_665 1_555 30_455 yes
C2 C17 C34 167.04 4_565 1_555 28_555 yes
C2 C17 C34 123.641 31_555 1_555 28_555 yes
C9 C17 C34 20.876 9_666 1_555 28_555 yes
C9 C17 C34 9.574 14_556 1_555 28_555 yes
C12 C17 C34 97.263 22_564 1_555 28_555 yes
C17 C17 C34 54.469 6_665 1_555 28_555 yes
C17 C17 C34 143.774 30_455 1_555 28_555 yes
N3 C18 C18 124.389 30_555 1_555 32_665 yes
C19 C19 C19 45 2_655 1_555 3_665 yes
C19 C19 C19 90 2_655 1_555 4_565 yes
C19 C19 C19 45 3_665 1_555 4_565 yes
C19 C19 C19 4.96 2_655 1_555 5_655 yes
C19 C19 C19 40.04 3_665 1_555 5_655 yes
C19 C19 C19 85.04 4_565 1_555 5_655 yes
C19 C19 C19 49.96 2_655 1_555 6_665 yes
C19 C19 C19 4.96 3_665 1_555 6_665 yes
C19 C19 C19 40.04 4_565 1_555 6_665 yes
C19 C19 C19 45 5_655 1_555 6_665 yes
C19 C19 C19 94.96 2_655 1_555 7_565 yes
C19 C19 C19 49.96 3_665 1_555 7_565 yes
C19 C19 C19 4.96 4_565 1_555 7_565 yes
C19 C19 C19 90 5_655 1_555 7_565 yes
C19 C19 C19 45 6_665 1_555 7_565 yes
C19 C19 C21 110.17 2_655 1_555 3_665 yes
C19 C19 C21 118.864 3_665 1_555 3_665 yes
C19 C19 C21 109.748 4_565 1_555 3_665 yes
C19 C19 C21 111.884 5_655 1_555 3_665 yes
C19 C19 C21 118.718 6_665 1_555 3_665 yes
C19 C19 C21 107.867 7_565 1_555 3_665 yes
C19 C19 C21 102.687 2_655 1_555 6_665 yes
C19 C19 C21 117.785 3_665 1_555 6_665 yes
C19 C19 C21 116.079 4_565 1_555 6_665 yes
C19 C19 C21 104.881 5_655 1_555 6_665 yes
C19 C19 C21 118.545 6_665 1_555 6_665 yes
C19 C19 C21 114.77 7_565 1_555 6_665 yes
C21 C19 C21 9.256 3_665 1_555 6_665 yes
C19 C19 C22 18.02 2_655 1_555 2_655 yes
C19 C19 C22 30.249 3_665 1_555 2_655 yes
C19 C19 C22 74.294 4_565 1_555 2_655 yes
C19 C19 C22 13.882 5_655 1_555 2_655 yes
C19 C19 C22 35.014 6_665 1_555 2_655 yes
C19 C19 C22 79.195 7_565 1_555 2_655 yes
C21 C19 C22 123.4 3_665 1_555 2_655 yes
C21 C19 C22 117.275 6_665 1_555 2_655 yes
C19 C19 C22 58.142 2_655 1_555 3_665 yes
C19 C19 C22 14.873 3_665 1_555 3_665 yes
C19 C19 C22 32.963 4_565 1_555 3_665 yes
C19 C19 C22 53.246 5_655 1_555 3_665 yes
C19 C19 C22 10.915 6_665 1_555 3_665 yes
C19 C19 C22 37.791 7_565 1_555 3_665 yes
C21 C19 C22 125.533 3_665 1_555 3_665 yes
C21 C19 C22 126.857 6_665 1_555 3_665 yes
C22 C19 C22 41.511 2_655 1_555 3_665 yes
C19 C19 C22 97.576 2_655 1_555 4_565 yes
C19 C19 C22 54.075 3_665 1_555 4_565 yes
C19 C19 C22 15.928 4_565 1_555 4_565 yes
C19 C19 C22 92.763 5_655 1_555 4_565 yes
C19 C19 C22 49.354 6_665 1_555 4_565 yes
C19 C19 C22 14.209 7_565 1_555 4_565 yes
C21 C19 C22 119.355 3_665 1_555 4_565 yes
C21 C19 C22 127.113 6_665 1_555 4_565 yes
C22 C19 C22 80.156 2_655 1_555 4_565 yes
C22 C19 C22 39.734 3_665 1_555 4_565 yes
C19 C19 C22 12.886 2_655 1_555 5_655 yes
C19 C19 C22 49.991 3_665 1_555 5_655 yes
C19 C19 C22 93.762 4_565 1_555 5_655 yes
C19 C19 C22 15.096 5_655 1_555 5_655 yes
C19 C19 C22 54.768 6_665 1_555 5_655 yes
C19 C19 C22 98.607 7_565 1_555 5_655 yes
C21 C19 C22 120.041 3_665 1_555 5_655 yes
C21 C19 C22 111.771 6_665 1_555 5_655 yes
C22 C19 C22 19.755 2_655 1_555 5_655 yes
C22 C19 C22 60.815 3_665 1_555 5_655 yes
C22 C19 C22 98.066 4_565 1_555 5_655 yes
C19 C19 C22 37.453 2_655 1_555 6_665 yes
C19 C19 C22 11.064 3_665 1_555 6_665 yes
C19 C19 C22 53.553 4_565 1_555 6_665 yes
C19 C19 C22 32.622 5_655 1_555 6_665 yes
C19 C19 C22 15.089 6_665 1_555 6_665 yes
C19 C19 C22 58.452 7_565 1_555 6_665 yes
C21 C19 C22 126.03 3_665 1_555 6_665 yes
C21 C19 C22 123.274 6_665 1_555 6_665 yes
C22 C19 C22 20.743 2_655 1_555 6_665 yes
C22 C19 C22 20.835 3_665 1_555 6_665 yes
C22 C19 C22 60.141 4_565 1_555 6_665 yes
C22 C19 C22 40.309 5_655 1_555 6_665 yes
C19 C19 C22 78.765 2_655 1_555 7_565 yes
C19 C19 C22 34.692 3_665 1_555 7_565 yes
C19 C19 C22 14.542 4_565 1_555 7_565 yes
C19 C19 C22 73.871 5_655 1_555 7_565 yes
C19 C19 C22 29.956 6_665 1_555 7_565 yes
C19 C19 C22 18.65 7_565 1_555 7_565 yes
C21 C19 C22 122.205 3_665 1_555 7_565 yes
C21 C19 C22 127.32 6_665 1_555 7_565 yes
C22 C19 C22 61.899 2_655 1_555 7_565 yes
C22 C19 C22 20.625 3_665 1_555 7_565 yes
C22 C19 C22 19.398 4_565 1_555 7_565 yes
C22 C19 C22 80.783 5_655 1_555 7_565 yes
C22 C19 C22 41.385 6_665 1_555 7_565 yes
C19 C19 C23 122.131 2_655 1_555 2_655 yes
C19 C19 C23 120.333 3_665 1_555 2_655 yes
C19 C19 C23 100.506 4_565 1_555 2_655 yes
C19 C19 C23 123.068 5_655 1_555 2_655 yes
C19 C19 C23 118.8 6_665 1_555 2_655 yes
C19 C19 C23 97.798 7_565 1_555 2_655 yes
C21 C19 C23 14.253 3_665 1_555 2_655 yes
C21 C19 C23 23.48 6_665 1_555 2_655 yes
C22 C19 C23 132.762 2_655 1_555 2_655 yes
C22 C19 C23 122.885 3_665 1_555 2_655 yes
C22 C19 C23 107.713 4_565 1_555 2_655 yes
C22 C19 C23 133.06 5_655 1_555 2_655 yes
C22 C19 C23 129.64 6_665 1_555 2_655 yes
C22 C19 C23 114.275 7_565 1_555 2_655 yes
C19 C19 C23 119.913 2_655 1_555 6_665 yes
C19 C19 C23 88.584 3_665 1_555 6_665 yes
C19 C19 C23 57.749 4_565 1_555 6_665 yes
C19 C19 C23 116.787 5_655 1_555 6_665 yes
C19 C19 C23 84.967 6_665 1_555 6_665 yes
C19 C19 C23 54.918 7_565 1_555 6_665 yes
C21 C19 C23 53.855 3_665 1_555 6_665 yes
C21 C19 C23 61.977 6_665 1_555 6_665 yes
C22 C19 C23 115.597 2_655 1_555 6_665 yes
C22 C19 C23 84.59 3_665 1_555 6_665 yes
C22 C19 C23 65.512 4_565 1_555 6_665 yes
C22 C19 C23 131.815 5_655 1_555 6_665 yes
C22 C19 C23 99.648 6_665 1_555 6_665 yes
C22 C19 C23 71.869 7_565 1_555 6_665 yes
C23 C19 C23 42.88 2_655 1_555 6_665 yes
C19 C19 C23 91.698 2_655 1_555 7_565 yes
C19 C19 C23 115.958 3_665 1_555 7_565 yes
C19 C19 C23 126.114 4_565 1_555 7_565 yes
C19 C19 C23 94.616 5_655 1_555 7_565 yes
C19 C19 C23 118.054 6_665 1_555 7_565 yes
C19 C19 C23 125.777 7_565 1_555 7_565 yes
C21 C19 C23 23.601 3_665 1_555 7_565 yes
C21 C19 C23 14.372 6_665 1_555 7_565 yes
C22 C19 C23 107.975 2_655 1_555 7_565 yes
C22 C19 C23 128.083 3_665 1_555 7_565 yes
C22 C19 C23 139.215 4_565 1_555 7_565 yes
C22 C19 C23 99.339 5_655 1_555 7_565 yes
C22 C19 C23 118.59 6_665 1_555 7_565 yes
C22 C19 C23 134.761 7_565 1_555 7_565 yes
C23 C19 C23 37.736 2_655 1_555 7_565 yes
C23 C19 C23 75.423 6_665 1_555 7_565 yes
C19 C19 C24 103.253 2_655 1_555 25_655 yes
C19 C19 C24 114.867 3_665 1_555 25_655 yes
C19 C19 C24 111.435 4_565 1_555 25_655 yes
C19 C19 C24 105.07 5_655 1_555 25_655 yes
C19 C19 C24 115.295 6_665 1_555 25_655 yes
C19 C19 C24 110.137 7_565 1_555 25_655 yes
C21 C19 C24 6.977 3_665 1_555 25_655 yes
C21 C19 C24 4.645 6_665 1_555 25_655 yes
C22 C19 C24 116.873 2_655 1_555 25_655 yes
C22 C19 C24 123.148 3_665 1_555 25_655 yes
C22 C19 C24 122.57 4_565 1_555 25_655 yes
C22 C19 C24 113.067 5_655 1_555 25_655 yes
C22 C19 C24 121.084 6_665 1_555 25_655 yes
C22 C19 C24 122.772 7_565 1_555 25_655 yes
C23 C19 C24 20.832 2_655 1_555 25_655 yes
C23 C19 C24 57.62 6_665 1_555 25_655 yes
C23 C19 C24 18.103 7_565 1_555 25_655 yes
C19 C19 C24 39.917 2_655 1_555 26_565 yes
C19 C19 C24 64.496 3_665 1_555 26_565 yes
C19 C19 C24 99.093 4_565 1_555 26_565 yes
C19 C19 C24 41.372 5_655 1_555 26_565 yes
C19 C19 C24 68.136 6_665 1_555 26_565 yes
C19 C19 C24 102.93 7_565 1_555 26_565 yes
C21 C19 C24 70.513 3_665 1_555 26_565 yes
C21 C19 C24 63.726 6_665 1_555 26_565 yes
C22 C19 C24 53.598 2_655 1_555 26_565 yes
C22 C19 C24 79.044 3_665 1_555 26_565 yes
C22 C19 C24 113.752 4_565 1_555 26_565 yes
C22 C19 C24 51.284 5_655 1_555 26_565 yes
C22 C19 C24 64.267 6_665 1_555 26_565 yes
C22 C19 C24 95.857 7_565 1_555 26_565 yes
C23 C19 C24 82.23 2_655 1_555 26_565 yes
C23 C19 C24 92.408 6_665 1_555 26_565 yes
C23 C19 C24 55.075 7_565 1_555 26_565 yes
C24 C19 C24 63.705 25_655 1_555 26_565 yes
C19 C19 C24 105.371 2_655 1_555 28_545 yes
C19 C19 C24 71.739 3_665 1_555 28_545 yes
C19 C19 C24 44.911 4_565 1_555 28_545 yes
C19 C19 C24 101.703 5_655 1_555 28_545 yes
C19 C19 C24 68.181 6_665 1_555 28_545 yes
C19 C19 C24 43.242 7_565 1_555 28_545 yes
C21 C19 C24 64.839 3_665 1_555 28_545 yes
C21 C19 C24 71.531 6_665 1_555 28_545 yes
C22 C19 C24 99.11 2_655 1_555 28_545 yes
C22 C19 C24 68.417 3_665 1_555 28_545 yes
C22 C19 C24 56.05 4_565 1_555 28_545 yes
C22 C19 C24 116.381 5_655 1_555 28_545 yes
C22 C19 C24 82.802 6_665 1_555 28_545 yes
C22 C19 C24 57.98 7_565 1_555 28_545 yes
C23 C19 C24 56.428 2_655 1_555 28_545 yes
C23 C19 C24 16.851 6_665 1_555 28_545 yes
C23 C19 C24 83.182 7_565 1_555 28_545 yes
C24 C19 C24 66.903 25_655 1_555 28_545 yes
C24 C19 C24 84.737 26_565 1_555 28_545 yes
C19 C19 C24 40.541 2_655 1_555 29_455 yes
C19 C19 C24 65.52 3_665 1_555 29_455 yes
C19 C19 C24 100.016 4_565 1_555 29_455 yes
C19 C19 C24 42.093 5_655 1_555 29_455 yes
C19 C19 C24 69.162 6_665 1_555 29_455 yes
C19 C19 C24 103.827 7_565 1_555 29_455 yes
C21 C19 C24 69.805 3_665 1_555 29_455 yes
C21 C19 C24 62.935 6_665 1_555 29_455 yes
C22 C19 C24 54.422 2_655 1_555 29_455 yes
C22 C19 C24 80.07 3_665 1_555 29_455 yes
C22 C19 C24 114.72 4_565 1_555 29_455 yes
C22 C19 C24 51.777 5_655 1_555 29_455 yes
C22 C19 C24 65.254 6_665 1_555 29_455 yes
C22 C19 C24 96.863 7_565 1_555 29_455 yes
C23 C19 C24 81.637 2_655 1_555 29_455 yes
C23 C19 C24 92.522 6_665 1_555 29_455 yes
C23 C19 C24 54.154 7_565 1_555 29_455 yes
C24 C19 C24 62.977 25_655 1_555 29_455 yes
C24 C19 C24 1.026 26_565 1_555 29_455 yes
C24 C19 C24 85.112 28_545 1_555 29_455 yes
C19 C19 C24 104.488 2_655 1_555 31_655 yes
C19 C19 C24 70.677 3_665 1_555 31_655 yes
C19 C19 C24 44.1 4_565 1_555 31_655 yes
C19 C19 C24 100.786 5_655 1_555 31_655 yes
C19 C19 C24 67.117 6_665 1_555 31_655 yes
C19 C19 C24 42.517 7_565 1_555 31_655 yes
C21 C19 C24 65.65 3_665 1_555 31_655 yes
C21 C19 C24 72.253 6_665 1_555 31_655 yes
C22 C19 C24 98.09 2_655 1_555 31_655 yes
C22 C19 C24 67.375 3_665 1_555 31_655 yes
C22 C19 C24 55.441 4_565 1_555 31_655 yes
C22 C19 C24 115.43 5_655 1_555 31_655 yes
C22 C19 C24 81.74 6_665 1_555 31_655 yes
C22 C19 C24 57.076 7_565 1_555 31_655 yes
C23 C19 C24 57.376 2_655 1_555 31_655 yes
C23 C19 C24 17.911 6_665 1_555 31_655 yes
C23 C19 C24 83.777 7_565 1_555 31_655 yes
C24 C19 C24 67.619 25_655 1_555 31_655 yes
C24 C19 C24 84.348 26_565 1_555 31_655 yes
C24 C19 C24 1.065 28_545 1_555 31_655 yes
C24 C19 C24 84.74 29_455 1_555 31_655 yes
C19 C19 C24 104.528 2_655 1_555 32_565 yes
C19 C19 C24 115.053 3_665 1_555 32_565 yes
C19 C19 C24 110.365 4_565 1_555 32_565 yes
C19 C19 C24 106.261 5_655 1_555 32_565 yes
C19 C19 C24 115.329 6_665 1_555 32_565 yes
C19 C19 C24 108.966 7_565 1_555 32_565 yes
C21 C19 C24 5.641 3_665 1_555 32_565 yes
C21 C19 C24 5.85 6_665 1_555 32_565 yes
C22 C19 C24 117.905 2_655 1_555 32_565 yes
C22 C19 C24 122.937 3_665 1_555 32_565 yes
C22 C19 C24 121.264 4_565 1_555 32_565 yes
C22 C19 C24 114.472 5_655 1_555 32_565 yes
C22 C19 C24 121.549 6_665 1_555 32_565 yes
C22 C19 C24 121.925 7_565 1_555 32_565 yes
C23 C19 C24 19.285 2_655 1_555 32_565 yes
C23 C19 C24 56.193 6_665 1_555 32_565 yes
C23 C19 C24 19.647 7_565 1_555 32_565 yes
C24 C19 C24 1.592 25_655 1_555 32_565 yes
C24 C19 C24 64.889 26_565 1_555 32_565 yes
C24 C19 C24 65.724 28_545 1_555 32_565 yes
C24 C19 C24 64.176 29_455 1_555 32_565 yes
C24 C19 C24 66.457 31_655 1_555 32_565 yes
C6 C20 C7 132.634 19_564 1_555 17_554 yes
C6 C20 C10 124.103 19_564 1_555 17_554 yes
C7 C20 C10 62.656 17_554 1_555 17_554 yes
C11 C21 C11 0.033 12_656 1_555 13_566 yes
C11 C21 C19 157.249 12_656 1_555 3_665 yes
C11 C21 C19 157.26 13_566 1_555 3_665 yes
C11 C21 C19 155.569 12_656 1_555 6_665 yes
C11 C21 C19 155.585 13_566 1_555 6_665 yes
C19 C21 C19 3.912 3_665 1_555 6_665 yes
C11 C21 C22 159.475 12_656 1_555 6_665 yes
C11 C21 C22 159.479 13_566 1_555 6_665 yes
C19 C21 C22 5.44 3_665 1_555 6_665 yes
C19 C21 C22 9.324 6_665 1_555 6_665 yes
C11 C21 C23 113.161 12_656 1_555 1_555 yes
C11 C21 C23 113.192 13_566 1_555 1_555 yes
C19 C21 C23 66.961 3_665 1_555 1_555 yes
C19 C21 C23 63.473 6_665 1_555 1_555 yes
C22 C21 C23 71.424 6_665 1_555 1_555 yes
C11 C21 C23 100.35 12_656 1_555 5_655 yes
C11 C21 C23 100.382 13_566 1_555 5_655 yes
C19 C21 C23 68.985 3_665 1_555 5_655 yes
C19 C21 C23 65.08 6_665 1_555 5_655 yes
C22 C21 C23 74.401 6_665 1_555 5_655 yes
C23 C21 C23 27.799 1_555 1_555 5_655 yes
C11 C21 C23 128.124 12_656 1_555 8_555 yes
C11 C21 C23 128.094 13_566 1_555 8_555 yes
C19 C21 C23 68.652 3_665 1_555 8_555 yes
C19 C21 C23 72.047 6_665 1_555 8_555 yes
C22 C21 C23 63.594 6_665 1_555 8_555 yes
C23 C21 C23 109.179 1_555 1_555 8_555 yes
C23 C21 C23 130.251 5_655 1_555 8_555 yes
C11 C21 C24 140.946 12_656 1_555 26_565 yes
C11 C21 C24 140.919 13_566 1_555 26_565 yes
C19 C21 C24 59.195 3_665 1_555 26_565 yes
C19 C21 C24 61.997 6_665 1_555 26_565 yes
C22 C21 C24 54.857 6_665 1_555 26_565 yes
C23 C21 C24 92.828 1_555 1_555 26_565 yes
C23 C21 C24 114.566 5_655 1_555 26_565 yes
C23 C21 C24 16.369 8_555 1_555 26_565 yes
C11 C21 C24 141.193 12_656 1_555 29_455 yes
C11 C21 C24 141.167 13_566 1_555 29_455 yes
C19 C21 C24 59.104 3_665 1_555 29_455 yes
C19 C21 C24 61.869 6_665 1_555 29_455 yes
C22 C21 C24 54.811 6_665 1_555 29_455 yes
C23 C21 C24 92.213 1_555 1_555 29_455 yes
C23 C21 C24 114.053 5_655 1_555 29_455 yes
C23 C21 C24 16.975 8_555 1_555 29_455 yes
C24 C21 C24 0.659 26_565 1_555 29_455 yes
C19 C22 C19 49.461 2_655 1_555 3_665 yes
C19 C22 C19 95.676 2_655 1_555 4_565 yes
C19 C22 C19 47.564 3_665 1_555 4_565 yes
C19 C22 C19 6.03 2_655 1_555 5_655 yes
C19 C22 C19 43.602 3_665 1_555 5_655 yes
C19 C22 C19 90.218 4_565 1_555 5_655 yes
C19 C22 C19 54.615 2_655 1_555 6_665 yes
C19 C22 C19 5.24 3_665 1_555 6_665 yes
C19 C22 C19 42.353 4_565 1_555 6_665 yes
C19 C22 C19 48.785 5_655 1_555 6_665 yes
C19 C22 C19 100.691 2_655 1_555 7_565 yes
C19 C22 C19 52.883 3_665 1_555 7_565 yes
C19 C22 C19 5.37 4_565 1_555 7_565 yes
C19 C22 C19 95.317 5_655 1_555 7_565 yes
C19 C22 C19 47.682 6_665 1_555 7_565 yes
C19 C22 C21 100.177 2_655 1_555 6_665 yes
C19 C22 C21 111.305 3_665 1_555 6_665 yes
C19 C22 C21 96.007 4_565 1_555 6_665 yes
C19 C22 C21 103.363 5_655 1_555 6_665 yes
C19 C22 C21 110.667 6_665 1_555 6_665 yes
C19 C22 C21 93.167 7_565 1_555 6_665 yes
C19 C22 C22 23.885 2_655 1_555 2_655 yes
C19 C22 C22 31.263 3_665 1_555 2_655 yes
C19 C22 C22 78.613 4_565 1_555 2_655 yes
C19 C22 C22 18.291 5_655 1_555 2_655 yes
C19 C22 C22 36.373 6_665 1_555 2_655 yes
C19 C22 C22 83.97 7_565 1_555 2_655 yes
C21 C22 C22 118.278 6_665 1_555 2_655 yes
C19 C22 C22 65.399 2_655 1_555 3_665 yes
C19 C22 C22 16.401 3_665 1_555 3_665 yes
C19 C22 C22 34.446 4_565 1_555 3_665 yes
C19 C22 C22 59.437 5_655 1_555 3_665 yes
C19 C22 C22 11.902 6_665 1_555 3_665 yes
C19 C22 C22 39.781 7_565 1_555 3_665 yes
C21 C22 C22 115.977 6_665 1_555 3_665 yes
C22 C22 C22 45 2_655 1_555 3_665 yes
C19 C22 C22 109.003 2_655 1_555 4_565 yes
C19 C22 C22 59.876 3_665 1_555 4_565 yes
C19 C22 C22 14.346 4_565 1_555 4_565 yes
C19 C22 C22 103.318 5_655 1_555 4_565 yes
C19 C22 C22 54.645 6_665 1_555 4_565 yes
C19 C22 C22 10.956 7_565 1_555 4_565 yes
C21 C22 C22 98.378 6_665 1_555 4_565 yes
C22 C22 C22 90 2_655 1_555 4_565 yes
C22 C22 C22 45 3_665 1_555 4_565 yes
C19 C22 C22 43.982 2_655 1_555 6_665 yes
C19 C22 C22 10.915 3_665 1_555 6_665 yes
C19 C22 C22 56.366 4_565 1_555 6_665 yes
C19 C22 C22 37.952 5_655 1_555 6_665 yes
C19 C22 C22 15.089 6_665 1_555 6_665 yes
C19 C22 C22 61.735 7_565 1_555 6_665 yes
C21 C22 C22 119.564 6_665 1_555 6_665 yes
C22 C22 C22 22.552 2_655 1_555 6_665 yes
C22 C22 C22 22.448 3_665 1_555 6_665 yes
C22 C22 C22 67.448 4_565 1_555 6_665 yes
C19 C22 C22 87.237 2_655 1_555 7_565 yes
C19 C22 C22 37.791 3_665 1_555 7_565 yes
C19 C22 C22 13.882 4_565 1_555 7_565 yes
C19 C22 C22 81.393 5_655 1_555 7_565 yes
C19 C22 C22 32.622 6_665 1_555 7_565 yes
C19 C22 C22 18.65 7_565 1_555 7_565 yes
C21 C22 C22 108.394 6_665 1_555 7_565 yes
C22 C22 C22 67.552 2_655 1_555 7_565 yes
C22 C22 C22 22.552 3_665 1_555 7_565 yes
C22 C22 C22 22.448 4_565 1_555 7_565 yes
C22 C22 C22 45 6_665 1_555 7_565 yes
C19 C22 C23 114.253 2_655 1_555 2_655 yes
C19 C22 C23 107.799 3_665 1_555 2_655 yes
C19 C22 C23 79.446 4_565 1_555 2_655 yes
C19 C22 C23 115.799 5_655 1_555 2_655 yes
C19 C22 C23 105.293 6_665 1_555 2_655 yes
C19 C22 C23 75.709 7_565 1_555 2_655 yes
C21 C22 C23 20.879 6_665 1_555 2_655 yes
C22 C22 C23 126.104 2_655 1_555 2_655 yes
C22 C22 C23 106.496 3_665 1_555 2_655 yes
C22 C22 C23 79.182 4_565 1_555 2_655 yes
C22 C22 C23 118.178 6_665 1_555 2_655 yes
C22 C22 C23 92.954 7_565 1_555 2_655 yes
C19 C22 C23 51.969 2_655 1_555 3_665 yes
C19 C22 C23 87.831 3_665 1_555 3_665 yes
C19 C22 C23 113.122 4_565 1_555 3_665 yes
C19 C22 C23 56.699 5_655 1_555 3_665 yes
C19 C22 C23 91.226 6_665 1_555 3_665 yes
C19 C22 C23 114.706 7_565 1_555 3_665 yes
C21 C22 C23 51.025 6_665 1_555 3_665 yes
C22 C22 C23 74.651 2_655 1_555 3_665 yes
C22 C22 C23 102.821 3_665 1_555 3_665 yes
C22 C22 C23 125.346 4_565 1_555 3_665 yes
C22 C22 C23 88.706 6_665 1_555 3_665 yes
C22 C22 C23 115.696 7_565 1_555 3_665 yes
C23 C22 C23 70.016 2_655 1_555 3_665 yes
C19 C22 C23 93.17 2_655 1_555 7_565 yes
C19 C22 C23 114.169 3_665 1_555 7_565 yes
C19 C22 C23 106.804 4_565 1_555 7_565 yes
C19 C22 C23 97.228 5_655 1_555 7_565 yes
C19 C22 C23 114.69 6_665 1_555 7_565 yes
C19 C22 C23 104.402 7_565 1_555 7_565 yes
C21 C22 C23 12.218 6_665 1_555 7_565 yes
C22 C22 C23 113.976 2_655 1_555 7_565 yes
C22 C22 C23 122.154 3_665 1_555 7_565 yes
C22 C22 C23 110.26 4_565 1_555 7_565 yes
C22 C22 C23 120.536 6_665 1_555 7_565 yes
C22 C22 C23 118.373 7_565 1_555 7_565 yes
C23 C22 C23 32.973 2_655 1_555 7_565 yes
C23 C22 C23 41.829 3_665 1_555 7_565 yes
C19 C22 C24 101.614 2_655 1_555 25_655 yes
C19 C22 C24 107.708 3_665 1_555 25_655 yes
C19 C22 C24 90.051 4_565 1_555 25_655 yes
C19 C22 C24 104.244 5_655 1_555 25_655 yes
C19 C22 C24 106.627 6_665 1_555 25_655 yes
C19 C22 C24 87.168 7_565 1_555 25_655 yes
C21 C22 C24 6.007 6_665 1_555 25_655 yes
C22 C22 C24 117.877 2_655 1_555 25_655 yes
C22 C22 C24 111.124 3_665 1_555 25_655 yes
C22 C22 C24 92.412 4_565 1_555 25_655 yes
C22 C22 C24 116.613 6_665 1_555 25_655 yes
C22 C22 C24 102.559 7_565 1_555 25_655 yes
C23 C22 C24 15.954 2_655 1_555 25_655 yes
C23 C22 C24 54.422 3_665 1_555 25_655 yes
C23 C22 C24 17.981 7_565 1_555 25_655 yes
C19 C22 C24 38.141 2_655 1_555 26_565 yes
C19 C22 C24 69.97 3_665 1_555 26_565 yes
C19 C22 C24 99.907 4_565 1_555 26_565 yes
C19 C22 C24 41.771 5_655 1_555 26_565 yes
C19 C22 C24 73.477 6_665 1_555 26_565 yes
C19 C22 C24 102.628 7_565 1_555 26_565 yes
C21 C22 C24 62.053 6_665 1_555 26_565 yes
C22 C22 C24 58.746 2_655 1_555 26_565 yes
C22 C22 C24 85.183 3_665 1_555 26_565 yes
C22 C22 C24 113.583 4_565 1_555 26_565 yes
C22 C22 C24 70.99 6_665 1_555 26_565 yes
C22 C22 C24 99.883 7_565 1_555 26_565 yes
C23 C22 C24 77.709 2_655 1_555 26_565 yes
C23 C22 C24 17.888 3_665 1_555 26_565 yes
C23 C22 C24 55.493 7_565 1_555 26_565 yes
C24 C22 C24 63.814 25_655 1_555 26_565 yes
C19 C22 C24 39.027 2_655 1_555 29_455 yes
C19 C22 C24 71.059 3_665 1_555 29_455 yes
C19 C22 C24 100.633 4_565 1_555 29_455 yes
C19 C22 C24 42.736 5_655 1_555 29_455 yes
C19 C22 C24 74.547 6_665 1_555 29_455 yes
C19 C22 C24 103.282 7_565 1_555 29_455 yes
C21 C22 C24 61.196 6_665 1_555 29_455 yes
C22 C22 C24 59.784 2_655 1_555 29_455 yes
C22 C22 C24 86.24 3_665 1_555 29_455 yes
C22 C22 C24 114.238 4_565 1_555 29_455 yes
C22 C22 C24 72.101 6_665 1_555 29_455 yes
C22 C22 C24 100.793 7_565 1_555 29_455 yes
C23 C22 C24 77.059 2_655 1_555 29_455 yes
C23 C22 C24 16.79 3_665 1_555 29_455 yes
C23 C22 C24 54.507 7_565 1_555 29_455 yes
C24 C22 C24 63.041 25_655 1_555 29_455 yes
C24 C22 C24 1.111 26_565 1_555 29_455 yes
C19 C22 C24 102.477 2_655 1_555 32_565 yes
C19 C22 C24 107.448 3_665 1_555 32_565 yes
C19 C22 C24 88.937 4_565 1_555 32_565 yes
C19 C22 C24 105.002 5_655 1_555 32_565 yes
C19 C22 C24 106.245 6_665 1_555 32_565 yes
C19 C22 C24 85.998 7_565 1_555 32_565 yes
C21 C22 C24 7.235 6_665 1_555 32_565 yes
C22 C22 C24 118.359 2_655 1_555 32_565 yes
C22 C22 C24 110.489 3_665 1_555 32_565 yes
C22 C22 C24 91.147 4_565 1_555 32_565 yes
C22 C22 C24 116.509 6_665 1_555 32_565 yes
C22 C22 C24 101.53 7_565 1_555 32_565 yes
C23 C22 C24 14.65 2_655 1_555 32_565 yes
C23 C22 C24 55.624 3_665 1_555 32_565 yes
C23 C22 C24 19.294 7_565 1_555 32_565 yes
C24 C22 C24 1.346 25_655 1_555 32_565 yes
C24 C22 C24 64.773 26_565 1_555 32_565 yes
C24 C22 C24 64.015 29_455 1_555 32_565 yes
C11 C23 C11 0.026 9_666 1_555 14_556 yes
C11 C23 C19 142.228 9_666 1_555 4_565 yes
C11 C23 C19 142.252 14_556 1_555 4_565 yes
C11 C23 C19 167.399 9_666 1_555 6_665 yes
C11 C23 C19 167.425 14_556 1_555 6_665 yes
C19 C23 C19 27.284 4_565 1_555 6_665 yes
C11 C23 C19 138.54 9_666 1_555 7_565 yes
C11 C23 C19 138.565 14_556 1_555 7_565 yes
C19 C23 C19 4.034 4_565 1_555 7_565 yes
C19 C23 C19 30.553 6_665 1_555 7_565 yes
C11 C23 C21 131.465 9_666 1_555 1_555 yes
C11 C23 C21 131.453 14_556 1_555 1_555 yes
C19 C23 C21 80.834 4_565 1_555 1_555 yes
C19 C23 C21 54.55 6_665 1_555 1_555 yes
C19 C23 C21 83.306 7_565 1_555 1_555 yes
C11 C23 C21 56.111 9_666 1_555 5_655 yes
C11 C23 C21 56.137 14_556 1_555 5_655 yes
C19 C23 C21 91.44 4_565 1_555 5_655 yes
C19 C23 C21 111.361 6_665 1_555 5_655 yes
C19 C23 C21 87.414 7_565 1_555 5_655 yes
C21 C23 C21 123.671 1_555 1_555 5_655 yes
C11 C23 C21 129.622 9_666 1_555 8_555 yes
C11 C23 C21 129.608 14_556 1_555 8_555 yes
C19 C23 C21 84.272 4_565 1_555 8_555 yes
C19 C23 C21 57.493 6_665 1_555 8_555 yes
C19 C23 C21 86.955 7_565 1_555 8_555 yes
C21 C23 C21 5.253 1_555 1_555 8_555 yes
C21 C23 C21 127.85 5_655 1_555 8_555 yes
C11 C23 C22 162.5 9_666 1_555 3_665 yes
C11 C23 C22 162.525 14_556 1_555 3_665 yes
C19 C23 C22 20.318 4_565 1_555 3_665 yes
C19 C23 C22 8.119 6_665 1_555 3_665 yes
C19 C23 C22 23.962 7_565 1_555 3_665 yes
C21 C23 C22 62.578 1_555 1_555 3_665 yes
C21 C23 C22 108.674 5_655 1_555 3_665 yes
C21 C23 C22 65.381 8_555 1_555 3_665 yes
C11 C23 C22 136.348 9_666 1_555 4_565 yes
C11 C23 C22 136.373 14_556 1_555 4_565 yes
C19 C23 C22 6.725 4_565 1_555 4_565 yes
C19 C23 C22 32.421 6_665 1_555 4_565 yes
C19 C23 C22 2.747 7_565 1_555 4_565 yes
C21 C23 C22 84.384 1_555 1_555 4_565 yes
C21 C23 C22 84.721 5_655 1_555 4_565 yes
C21 C23 C22 88.194 8_555 1_555 4_565 yes
C22 C23 C22 26.167 3_665 1_555 4_565 yes
C11 C23 C22 149.195 9_666 1_555 7_565 yes
C11 C23 C22 149.217 14_556 1_555 7_565 yes
C19 C23 C22 7.453 4_565 1_555 7_565 yes
C19 C23 C22 21.318 6_665 1_555 7_565 yes
C19 C23 C22 11.473 7_565 1_555 7_565 yes
C21 C23 C22 75.754 1_555 1_555 7_565 yes
C21 C23 C22 98.787 5_655 1_555 7_565 yes
C21 C23 C22 78.806 8_555 1_555 7_565 yes
C22 C23 C22 13.662 3_665 1_555 7_565 yes
C22 C23 C22 14.1 4_565 1_555 7_565 yes
C11 C23 C23 134.278 9_666 1_555 5_655 yes
C11 C23 C23 134.259 14_556 1_555 5_655 yes
C19 C23 C23 82.202 4_565 1_555 5_655 yes
C19 C23 C23 54.918 6_665 1_555 5_655 yes
C19 C23 C23 85.384 7_565 1_555 5_655 yes
C21 C23 C23 14.265 1_555 1_555 5_655 yes
C21 C23 C23 137.936 5_655 1_555 5_655 yes
C21 C23 C23 10.484 8_555 1_555 5_655 yes
C22 C23 C23 62.255 3_665 1_555 5_655 yes
C22 C23 C23 87.046 4_565 1_555 5_655 yes
C22 C23 C23 75.917 7_565 1_555 5_655 yes
C11 C23 C23 72.389 9_666 1_555 6_665 yes
C11 C23 C23 72.415 14_556 1_555 6_665 yes
C19 C23 C23 73.149 4_565 1_555 6_665 yes
C19 C23 C23 95.033 6_665 1_555 6_665 yes
C19 C23 C23 69.115 7_565 1_555 6_665 yes
C21 C23 C23 121.998 1_555 1_555 6_665 yes
C21 C23 C23 18.645 5_655 1_555 6_665 yes
C21 C23 C23 127.084 8_555 1_555 6_665 yes
C22 C23 C23 91.294 3_665 1_555 6_665 yes
C22 C23 C23 66.464 4_565 1_555 6_665 yes
C22 C23 C23 80.563 7_565 1_555 6_665 yes
C23 C23 C23 135 5_655 1_555 6_665 yes
C11 C23 C24 143.079 9_666 1_555 27_455 yes
C11 C23 C24 143.07 14_556 1_555 27_455 yes
C19 C23 C24 68.563 4_565 1_555 27_455 yes
C19 C23 C24 42.256 6_665 1_555 27_455 yes
C19 C23 C24 71.115 7_565 1_555 27_455 yes
C21 C23 C24 12.317 1_555 1_555 27_455 yes
C21 C23 C24 122.881 5_655 1_555 27_455 yes
C21 C23 C24 15.959 8_555 1_555 27_455 yes
C22 C23 C24 50.307 3_665 1_555 27_455 yes
C22 C23 C24 72.285 4_565 1_555 27_455 yes
C22 C23 C24 63.438 7_565 1_555 27_455 yes
C23 C23 C24 18.697 5_655 1_555 27_455 yes
C23 C23 C24 116.787 6_665 1_555 27_455 yes
C11 C23 C24 143.021 9_666 1_555 30_545 yes
C11 C23 C24 143.012 14_556 1_555 30_545 yes
C19 C23 C24 68.351 4_565 1_555 30_545 yes
C19 C23 C24 42.133 6_665 1_555 30_545 yes
C19 C23 C24 70.872 7_565 1_555 30_545 yes
C21 C23 C24 12.493 1_555 1_555 30_545 yes
C21 C23 C24 122.308 5_655 1_555 30_545 yes
C21 C23 C24 16.274 8_555 1_555 30_545 yes
C22 C23 C24 50.198 3_665 1_555 30_545 yes
C22 C23 C24 72.017 4_565 1_555 30_545 yes
C22 C23 C24 63.283 7_565 1_555 30_545 yes
C23 C23 C24 19.231 5_655 1_555 30_545 yes
C23 C23 C24 116.219 6_665 1_555 30_545 yes
C24 C23 C24 0.58 27_455 1_555 30_545 yes
C11 C24 C11 0.025 18_644 1_555 23_554 yes
C11 C24 C19 157.615 18_644 1_555 25_655 yes
C11 C24 C19 157.611 23_554 1_555 25_655 yes
C11 C24 C19 158.615 18_644 1_555 26_555 yes
C11 C24 C19 158.64 23_554 1_555 26_555 yes
C19 C24 C19 31.835 25_655 1_555 26_555 yes
C11 C24 C19 157.588 18_644 1_555 28_645 yes
C11 C24 C19 157.563 23_554 1_555 28_645 yes
C19 C24 C19 28.647 25_655 1_555 28_645 yes
C19 C24 C19 43.765 26_555 1_555 28_645 yes
C11 C24 C19 159.697 18_644 1_555 29_555 yes
C11 C24 C19 159.722 23_554 1_555 29_555 yes
C19 C24 C19 32.837 25_655 1_555 29_555 yes
C19 C24 C19 2.736 26_555 1_555 29_555 yes
C19 C24 C19 42.702 28_645 1_555 29_555 yes
C11 C24 C19 156.477 18_644 1_555 31_645 yes
C11 C24 C19 156.452 23_554 1_555 31_645 yes
C19 C24 C19 27.346 25_655 1_555 31_645 yes
C19 C24 C19 44.702 26_555 1_555 31_645 yes
C19 C24 C19 2.732 28_645 1_555 31_645 yes
C19 C24 C19 43.803 29_555 1_555 31_645 yes
C11 C24 C19 157.924 18_644 1_555 32_655 yes
C11 C24 C19 157.926 23_554 1_555 32_655 yes
C19 C24 C19 5.239 25_655 1_555 32_655 yes
C19 C24 C19 27.792 26_555 1_555 32_655 yes
C19 C24 C19 32.367 28_645 1_555 32_655 yes
C19 C24 C19 29.094 29_555 1_555 32_655 yes
C19 C24 C19 31.372 31_645 1_555 32_655 yes
C11 C24 C21 108.272 18_644 1_555 28_645 yes
C11 C24 C21 108.293 23_554 1_555 28_645 yes
C19 C24 C21 87.8 25_655 1_555 28_645 yes
C19 C24 C21 55.966 26_555 1_555 28_645 yes
C19 C24 C21 90.377 28_645 1_555 28_645 yes
C19 C24 C21 55.068 29_555 1_555 28_645 yes
C19 C24 C21 92.588 31_645 1_555 28_645 yes
C19 C24 C21 83.63 32_655 1_555 28_645 yes
C11 C24 C21 107.09 18_644 1_555 29_555 yes
C11 C24 C21 107.069 23_554 1_555 29_555 yes
C19 C24 C21 82.417 25_655 1_555 29_555 yes
C19 C24 C21 92.068 26_555 1_555 29_555 yes
C19 C24 C21 54.405 28_645 1_555 29_555 yes
C19 C24 C21 89.895 29_555 1_555 29_555 yes
C19 C24 C21 55.247 31_645 1_555 29_555 yes
C19 C24 C21 86.618 32_655 1_555 29_555 yes
C21 C24 C21 105.524 28_645 1_555 29_555 yes
C11 C24 C22 158.242 18_644 1_555 25_655 yes
C11 C24 C22 158.251 23_554 1_555 25_655 yes
C19 C24 C22 11.595 25_655 1_555 25_655 yes
C19 C24 C22 22.336 26_555 1_555 25_655 yes
C19 C24 C22 36.351 28_645 1_555 25_655 yes
C19 C24 C22 23.979 29_555 1_555 25_655 yes
C19 C24 C22 35.756 31_645 1_555 25_655 yes
C19 C24 C22 6.441 32_655 1_555 25_655 yes
C21 C24 C22 77.733 28_645 1_555 25_655 yes
C21 C24 C22 90.727 29_555 1_555 25_655 yes
C11 C24 C22 157.931 18_644 1_555 28_645 yes
C11 C24 C22 157.908 23_554 1_555 28_645 yes
C19 C24 C22 19.29 25_655 1_555 28_645 yes
C19 C24 C22 41.613 26_555 1_555 28_645 yes
C19 C24 C22 10.66 28_645 1_555 28_645 yes
C19 C24 C22 41.269 29_555 1_555 28_645 yes
C19 C24 C22 8.598 31_645 1_555 28_645 yes
C19 C24 C22 23.757 32_655 1_555 28_645 yes
C21 C24 C22 93.66 28_645 1_555 28_645 yes
C21 C24 C22 63.135 29_555 1_555 28_645 yes
C22 C24 C22 28.842 25_655 1_555 28_645 yes
C11 C24 C22 159.843 18_644 1_555 29_555 yes
C11 C24 C22 159.865 23_554 1_555 29_555 yes
C19 C24 C22 24.197 25_655 1_555 29_555 yes
C19 C24 C22 8.668 26_555 1_555 29_555 yes
C19 C24 C22 41.186 28_645 1_555 29_555 yes
C19 C24 C22 10.75 29_555 1_555 29_555 yes
C19 C24 C22 41.566 31_645 1_555 29_555 yes
C19 C24 C22 19.709 32_655 1_555 29_555 yes
C21 C24 C22 63.946 28_645 1_555 29_555 yes
C21 C24 C22 93.042 29_555 1_555 29_555 yes
C22 C24 C22 13.867 25_655 1_555 29_555 yes
C22 C24 C22 36.908 28_645 1_555 29_555 yes
C11 C24 C22 157.3 18_644 1_555 32_655 yes
C11 C24 C22 157.289 23_554 1_555 32_655 yes
C19 C24 C22 6.201 25_655 1_555 32_655 yes
C19 C24 C22 36.023 26_555 1_555 32_655 yes
C19 C24 C22 23.714 28_645 1_555 32_655 yes
C19 C24 C22 36.641 29_555 1_555 32_655 yes
C19 C24 C22 22.082 31_645 1_555 32_655 yes
C19 C24 C22 11.35 32_655 1_555 32_655 yes
C21 C24 C22 91.66 28_645 1_555 32_655 yes
C21 C24 C22 76.695 29_555 1_555 32_655 yes
C22 C24 C22 17.495 25_655 1_555 32_655 yes
C22 C24 C22 13.666 28_645 1_555 32_655 yes
C22 C24 C22 29.069 29_555 1_555 32_655 yes
C11 C24 C23 106.528 18_644 1_555 27_545 yes
C11 C24 C23 106.551 23_554 1_555 27_545 yes
C19 C24 C23 86.242 25_655 1_555 27_545 yes
C19 C24 C23 55.009 26_555 1_555 27_545 yes
C19 C24 C23 94.108 28_645 1_555 27_545 yes
C19 C24 C23 54.73 29_555 1_555 27_545 yes
C19 C24 C23 95.995 31_645 1_555 27_545 yes
C19 C24 C23 81.55 32_655 1_555 27_545 yes
C21 C24 C23 10.938 28_645 1_555 27_545 yes
C21 C24 C23 115.956 29_555 1_555 27_545 yes
C22 C24 C23 75.27 25_655 1_555 27_545 yes
C22 C24 C23 95.473 28_645 1_555 27_545 yes
C22 C24 C23 62.055 29_555 1_555 27_545 yes
C22 C24 C23 90.949 32_655 1_555 27_545 yes
C11 C24 C23 105.2 18_644 1_555 30_545 yes
C11 C24 C23 105.177 23_554 1_555 30_545 yes
C19 C24 C23 80.247 25_655 1_555 30_545 yes
C19 C24 C23 95.383 26_555 1_555 30_545 yes
C19 C24 C23 54.053 28_645 1_555 30_545 yes
C19 C24 C23 93.541 29_555 1_555 30_545 yes
C19 C24 C23 54.274 31_645 1_555 30_545 yes
C19 C24 C23 84.958 32_655 1_555 30_545 yes
C21 C24 C23 115.877 28_645 1_555 30_545 yes
C21 C24 C23 10.843 29_555 1_555 30_545 yes
C22 C24 C23 89.922 25_655 1_555 30_545 yes
C22 C24 C23 61.224 28_645 1_555 30_545 yes
C22 C24 C23 94.762 29_555 1_555 30_545 yes
C22 C24 C23 74.178 32_655 1_555 30_545 yes
C23 C24 C23 126.053 27_545 1_555 30_545 yes
C11 C24 C24 122.309 18_644 1_555 2_645 yes
C11 C24 C24 122.329 23_554 1_555 2_645 yes
C19 C24 C24 74.634 25_655 1_555 2_645 yes
C19 C24 C24 43.001 26_555 1_555 2_645 yes
C19 C24 C24 76.427 28_645 1_555 2_645 yes
C19 C24 C24 41.801 29_555 1_555 2_645 yes
C19 C24 C24 78.587 31_645 1_555 2_645 yes
C19 C24 C24 70.788 32_655 1_555 2_645 yes
C21 C24 C24 14.089 28_645 1_555 2_645 yes
C21 C24 C24 98.378 29_555 1_555 2_645 yes
C22 C24 C24 65.216 25_655 1_555 2_645 yes
C22 C24 C24 79.581 28_645 1_555 2_645 yes
C22 C24 C24 51.35 29_555 1_555 2_645 yes
C22 C24 C24 78.104 32_655 1_555 2_645 yes
C23 C24 C24 19.506 27_545 1_555 2_645 yes
C23 C24 C24 107.794 30_545 1_555 2_645 yes
C11 C24 C24 120.394 18_644 1_555 4_665 yes
C11 C24 C24 120.373 23_554 1_555 4_665 yes
C19 C24 C24 70.097 25_655 1_555 4_665 yes
C19 C24 C24 78.919 26_555 1_555 4_665 yes
C19 C24 C24 41.661 28_645 1_555 4_665 yes
C19 C24 C24 76.812 29_555 1_555 4_665 yes
C19 C24 C24 42.755 31_645 1_555 4_665 yes
C19 C24 C24 74.023 32_655 1_555 4_665 yes
C21 C24 C24 99.377 28_645 1_555 4_665 yes
C21 C24 C24 13.305 29_555 1_555 4_665 yes
C22 C24 C24 77.798 25_655 1_555 4_665 yes
C22 C24 C24 50.971 28_645 1_555 4_665 yes
C22 C24 C24 79.737 29_555 1_555 4_665 yes
C22 C24 C24 64.634 32_655 1_555 4_665 yes
C23 C24 C24 108.884 27_545 1_555 4_665 yes
C23 C24 C24 18.422 30_545 1_555 4_665 yes
C24 C24 C24 90 2_645 1_555 4_665 yes
C11 C24 C24 121.806 18_644 1_555 5_755 yes
C11 C24 C24 121.827 23_554 1_555 5_755 yes
C19 C24 C24 74.93 25_655 1_555 5_755 yes
C19 C24 C24 43.242 26_555 1_555 5_755 yes
C19 C24 C24 77.07 28_645 1_555 5_755 yes
C19 C24 C24 42.093 29_555 1_555 5_755 yes
C19 C24 C24 79.214 31_645 1_555 5_755 yes
C19 C24 C24 71.034 32_655 1_555 5_755 yes
C21 C24 C24 13.544 28_645 1_555 5_755 yes
C21 C24 C24 99.199 29_555 1_555 5_755 yes
C22 C24 C24 65.413 25_655 1_555 5_755 yes
C22 C24 C24 80.117 28_645 1_555 5_755 yes
C22 C24 C24 51.546 29_555 1_555 5_755 yes
C22 C24 C24 78.47 32_655 1_555 5_755 yes
C23 C24 C24 18.697 27_545 1_555 5_755 yes
C23 C24 C24 108.627 30_545 1_555 5_755 yes
C24 C24 C24 0.835 2_645 1_555 5_755 yes
C24 C24 C24 90.835 4_665 1_555 5_755 yes
C11 C24 C24 120.909 18_644 1_555 7_555 yes
C11 C24 C24 120.888 23_554 1_555 7_555 yes
C19 C24 C24 69.863 25_655 1_555 7_555 yes
C19 C24 C24 78.297 26_555 1_555 7_555 yes
C19 C24 C24 41.372 28_645 1_555 7_555 yes
C19 C24 C24 76.173 29_555 1_555 7_555 yes
C19 C24 C24 42.517 31_645 1_555 7_555 yes
C19 C24 C24 73.739 32_655 1_555 7_555 yes
C21 C24 C24 98.556 28_645 1_555 7_555 yes
C21 C24 C24 13.849 29_555 1_555 7_555 yes
C22 C24 C24 77.441 25_655 1_555 7_555 yes
C22 C24 C24 50.781 28_645 1_555 7_555 yes
C22 C24 C24 79.207 29_555 1_555 7_555 yes
C22 C24 C24 64.447 32_655 1_555 7_555 yes
C23 C24 C24 108.052 27_545 1_555 7_555 yes
C23 C24 C24 19.231 30_545 1_555 7_555 yes
C24 C24 C24 89.165 2_645 1_555 7_555 yes
C24 C24 C24 0.835 4_665 1_555 7_555 yes
C24 C24 C24 90 5_755 1_555 7_555 yes
O1 Ti25 O1 88.915 1_555 1_555 11_556 yes
O1 Ti25 C6 36.093 1_555 1_555 24_454 yes
O1 Ti25 C6 110.904 11_556 1_555 24_454 yes
O1 Ti25 C6 110.904 1_555 1_555 30_456 yes
O1 Ti25 C6 36.093 11_556 1_555 30_456 yes
C6 Ti25 C6 112.527 24_454 1_555 30_456 yes
O1 Ti25 O26 86.271 1_555 1_555 1_555 yes
O1 Ti25 O26 86.271 11_556 1_555 1_555 yes
C6 Ti25 O26 61.083 24_454 1_555 1_555 yes
C6 Ti25 O26 61.083 30_456 1_555 1_555 yes
Ti25 O26 C31 133.17 1_555 1_555 1_555 yes
C27 C27 N28 124.584 5_655 1_555 1_555 yes
C27 C27 C32 119.484 5_655 1_555 1_555 yes
N28 C27 C32 115.932 1_555 1_555 1_555 yes
O26 C31 O26 111.353 1_555 1_555 7_555 yes
O26 C31 C32 124.324 1_555 1_555 1_555 yes
O26 C31 C32 124.324 7_555 1_555 1_555 yes
C27 C32 C27 121.033 1_555 1_555 7_555 yes
C27 C32 C31 119.484 1_555 1_555 1_555 yes
C27 C32 C31 119.484 7_555 1_555 1_555 yes
O1 C33 O1 130.016 1_555 1_555 8_555 yes
O1 C33 C9 105.585 1_555 1_555 18_544 yes
O1 C33 C9 123.619 8_555 1_555 18_544 yes
O1 C33 C9 123.619 1_555 1_555 23_454 yes
O1 C33 C9 105.585 8_555 1_555 23_454 yes
C9 C33 C9 18.091 18_544 1_555 23_454 yes
C2 C34 C2 113.317 1_555 1_555 8_555 yes
C2 C34 C8 97.243 1_555 1_555 11_566 yes
C2 C34 C8 85.784 8_555 1_555 11_566 yes
C2 C34 C8 85.784 1_555 1_555 14_656 yes
C2 C34 C8 97.243 8_555 1_555 14_656 yes
C8 C34 C8 13.722 11_566 1_555 14_656 yes
C2 C34 C9 138.64 1_555 1_555 18_544 yes
C2 C34 C9 105.881 8_555 1_555 18_544 yes
C8 C34 C9 98.279 11_566 1_555 18_544 yes
C8 C34 C9 102.251 14_656 1_555 18_544 yes
C2 C34 C9 105.881 1_555 1_555 23_454 yes
C2 C34 C9 138.64 8_555 1_555 23_454 yes
C8 C34 C9 102.251 11_566 1_555 23_454 yes
C8 C34 C9 98.279 14_656 1_555 23_454 yes
C9 C34 C9 33.172 18_544 1_555 23_454 yes
C2 C34 C17 92.257 1_555 1_555 26_455 yes
C2 C34 C17 21.316 8_555 1_555 26_455 yes
C8 C34 C17 91.61 11_566 1_555 26_455 yes
C8 C34 C17 99.61 14_656 1_555 26_455 yes
C9 C34 C17 125.244 18_544 1_555 26_455 yes
C9 C34 C17 155.344 23_454 1_555 26_455 yes
C2 C34 C17 21.316 1_555 1_555 31_545 yes
C2 C34 C17 92.257 8_555 1_555 31_545 yes
C8 C34 C17 99.61 11_566 1_555 31_545 yes
C8 C34 C17 91.61 14_656 1_555 31_545 yes
C9 C34 C17 155.344 18_544 1_555 31_545 yes
C9 C34 C17 125.244 23_454 1_555 31_545 yes
C17 C34 C17 71.061 26_455 1_555 31_545 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -2.53(24); 
;
_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
    7.0(21)e3, -1.3(5)e3, 109(27), 6(6), 70(15), 0.0695(5), 
  Crystallite size model "isotropic" for MIL-125-NHhep_1 (microns)
  parameters: Size, G/L mix
    2(7), 1.000, 
  Mustrain model "isotropic" for MIL-125-NHhep_1 (10^6^)
    parameters: Mustrain, G/L mix
    15(26), 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.10029
_refine_ls_R_Fsqd_factor         0.15916
_pd_proc_ls_prof_R_factor        0.06291
_pd_proc_ls_prof_wR_factor       0.09196
_gsas_proc_ls_prof_R_B_factor    0.07049
_gsas_proc_ls_prof_wR_B_factor   0.10048
_pd_proc_ls_prof_wR_expected     0.01663 # GOF = 5.62
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 2.8(28)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    2.01(5)e3, -3.7(11)e2, -2.17(18)e3, -1.7(4)e3, 5.08(17)e3, 
    -1.4(3)e3, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             88
_reflns_limit_h_min              7
_reflns_limit_h_max              7
_reflns_limit_k_min              0
_reflns_limit_k_max              0
_reflns_limit_l_min              3
_reflns_limit_l_max              3
_reflns_d_resolution_low         13.332
_reflns_d_resolution_high        2.464

# POWDER DATA TABLE
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        0.17798
_pd_proc_2theta_range_max        37.15798
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1850

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
11400 0 0 0
11245 0 0 0
10913 0 0 0
10488 0 0 0
10523 0 0 0
10792 0 0 0
10914 0 0 0
10934 0 0 0
10764 0 0 0
10333 0 0 0
10431 0 0 0
10413 0 0 0
10032 0 0 0
9936 0 0 0
10188 0 0 0
10115 0 0 0
9880 0 0 0
9871 0 0 0
9624 0 0 0
9528 0 0 0
9856 0 0 0
9668 0 0 0
9677 0 0 0
9659 0 0 0
9603 0 0 0
9554 0 0 0
9446 0 0 0
9287 0 0 0
9256 0 0 0
9215 0 0 0
9226 0 0 0
9221 0 0 0
9058 0 0 0
8952 0 0 0
8716 0 0 0
8735 0 0 0
8708 0 0 0
8936 0 0 0
8878 0 0 0
8881 0 0 0
8952 0 0 0
8793 0 0 0
8552 0 0 0
8324 0 0 0
8397 0 0 0
8478 0 0 0
8659 0 0 0
8662 0 0 0
8331 0 0 0
8163 0 0 0
8294 8477.17563 8415.29559 0.0001205691
8374 8446.43509 8383.56392 0.0001194172
8457 8415.8368 8351.95003 0.0001182452
8291 8385.38127 8320.45361 0.0001206127
8310 8355.06906 8289.07438 0.0001203369
8452 8324.90079 8257.81202 0.0001183152
8393 8294.87709 8226.66625 0.0001191469
8077 8264.99867 8195.63676 0.0001238083
8115 8235.26626 8164.72326 0.0001232286
8121 8205.68064 8133.92545 0.0001231375
7931 8176.24265 8103.24303 0.0001260875
8075 8146.95315 8072.67572 0.000123839
8045 8117.81311 8042.2232 0.0001243008
7723 8088.82353 8011.88519 0.0001294834
7852 8059.98549 7981.66139 0.0001273561
7855 8031.30011 7951.55151 0.0001273074
7793 8002.76862 7921.55526 0.0001283203
7666 7974.39229 7891.67234 0.0001304461
7486 7946.17249 7861.90245 0.0001335827
7767 7918.1107 7832.24531 0.0001287498
7838 7890.20843 7802.70063 0.0001275836
7752 7862.46735 7773.2681 0.000128999
7485 7834.88921 7743.94745 0.0001336005
7737 7807.47587 7714.73838 0.0001292491
7585 7780.22932 7685.6406 0.0001318392
7477 7753.15168 7656.65382 0.0001337435
7593 7726.2452 7627.77775 0.0001317003
7617 7699.51227 7599.0121 0.0001312853
7551 7672.95548 7570.35659 0.0001324328
7265 7646.57754 7541.81092 0.0001376462
7485 7620.38136 7513.37482 0.0001336005
7453 7594.3701 7485.04798 0.0001341742
7642 7568.54706 7456.83013 0.0001308558
7465 7542.9158 7428.72097 0.0001339585
7285 7517.48016 7400.72023 0.0001372684
7524 7492.24421 7372.82762 0.000132908
7465 7467.21238 7345.04285 0.0001339585
7571 7442.38934 7317.36563 0.0001320829
7606 7417.78018 7289.79569 0.0001314752
7438 7393.39034 7262.33274 0.0001344447
7438 7369.22568 7234.9765 0.0001344447
7353 7345.29259 7207.72669 0.0001359989
7075 7321.59786 7180.58301 0.0001413428
7365 7298.14891 7153.54519 0.0001357773
7331 7274.95378 7126.61296 0.000136407
7366 7252.02117 7099.78602 0.0001357589
7241 7229.36052 7073.0641 0.0001381025
7167 7206.9822 7046.44692 0.0001395284
7123 7184.89743 7019.93419 0.0001403903
7147 7163.11856 6993.52565 0.0001399188
7219 7141.6591 6967.221 0.0001385233
6930 7120.53394 6941.01997 0.0001443001
7180 7099.75948 6914.92229 0.0001392758
7222 7079.35392 6888.92768 0.0001384658
7127 7059.33758 6863.03585 0.0001403115
7034 7039.73317 6837.24654 0.0001421666
7360 7020.56646 6811.55946 0.0001358696
7193 7001.86704 6785.97434 0.0001390241
7267 6983.66933 6760.49091 0.0001376084
7163 6966.01414 6735.10889 0.0001396063
7103 6948.95085 6709.828 0.0001407856
7130 6932.54043 6684.64798 0.0001402525
7102 6916.85922 6659.56855 0.0001408054
6940 6902.00423 6634.58943 0.0001440922
7056 6888.0993 6609.71035 0.0001417234
7195 6875.3032 6584.93105 0.0001389854
7273 6863.81894 6560.25124 0.0001374948
7109 6853.90477 6535.67066 0.0001406668
7079 6845.88597 6511.18904 0.0001412629
7549 6840.16761 6486.8061 0.0001324679
7065 6837.24434 6462.52158 0.0001415428
7263 6837.70528 6438.3352 0.0001376842
7147 6842.22986 6414.2467 0.0001399188
7463 6851.57344 6390.25581 0.0001339944
7463 6866.55044 6366.36226 0.0001339944
7296 6888.03201 6342.56578 0.0001370614
7419 6916.95334 6318.86611 0.0001347891
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2587 2857.15328 2012.5332 0.0003865481
2523 2767.70994 2012.10418 0.0003963535
2504 2687.56728 2011.66975 0.000399361
2570 2617.20629 2011.2299 0.0003891051
2590 2556.73819 2010.78461 0.0003861004
2517 2505.97953 2010.33388 0.0003972984
2500 2464.57282 2009.87769 0.0004
2581 2432.02516 2009.41602 0.0003874467
2544 2407.77496 2008.94887 0.0003930818
2560 2391.22271 2008.47622 0.000390625
2670 2381.78659 2007.99806 0.0003745318
2679 2378.91155 2007.51438 0.0003732736
2714 2382.12606 2007.02517 0.0003684598
2760 2390.84122 2006.53041 0.0003623188
2782 2404.63729 2006.0301 0.0003594536
2859 2423.05813 2005.52423 0.0003497726
2947 2445.52881 2005.01277 0.0003393281
2949 2471.48201 2004.49573 0.000339098
3019 2500.23956 2003.97309 0.0003312355
3169 2531.04264 2003.44485 0.000315557
3196 2563.07772 2002.91098 0.0003128911
3242 2595.5151 2002.37149 0.0003084516
3374 2627.53885 2001.82635 0.0002963841
3486 2658.3469 2001.27557 0.0002868617
3564 2687.15588 2000.71914 0.0002805836
3662 2712.95395 2000.15703 0.0002730748
3739 2734.71111 1999.58926 0.0002674512
3695 2751.21669 1999.01579 0.000270636
3694 2761.12333 1998.43664 0.0002707093
3758 2763.273 1997.85178 0.000266099
3718 2756.85078 1997.26121 0.0002689618
3686 2741.61864 1996.66493 0.0002712968
3661 2718.01161 1996.06292 0.0002731494
3568 2687.08899 1995.45517 0.0002802691
3489 2650.37019 1994.84169 0.0002866151
3440 2609.61142 1994.22245 0.0002906977
3296 2566.58783 1993.59746 0.0003033981
3200 2522.92576 1992.96671 0.0003125
3089 2480.00398 1992.33018 0.0003237294
2952 2438.91915 1991.68788 0.0003387534
2863 2400.51945 1991.0398 0.000349284
2743 2365.34619 1990.38593 0.0003645643
2706 2333.8113 1989.72626 0.0003695492
2589 2306.18844 1989.06079 0.0003862495
2511 2282.51106 1988.38951 0.0003982477
2539 2262.81476 1987.71241 0.0003938558
2499 2247.06192 1987.0295 0.0004001601
2418 2235.1843 1986.34077 0.0004135649
2391 2227.40143 1985.6462 0.000418235
2391 2222.87876 1984.9458 0.000418235
2421 2221.88265 1984.23956 0.0004130525
2435 2224.51221 1983.52748 0.0004106776
2429 2230.33245 1982.80955 0.0004116921
2425 2239.48119 1982.08577 0.0004123711
2439 2251.92398 1981.35612 0.0004100041
2475 2267.6261 1980.62062 0.0004040404
2475 2286.53523 1979.87925 0.0004040404
2526 2308.56091 1979.13202 0.0003958828
2531 2333.55077 1978.37891 0.0003951008
2588 2361.26904 1977.61993 0.0003863988
2661 2391.38093 1976.85507 0.0003757986
2638 2423.44926 1976.08433 0.0003790751
2694 2456.94677 1975.3077 0.0003711952
2791 2491.30341 1974.52519 0.0003582945
2836 2525.83912 1973.73679 0.0003526093
2849 2559.91181 1972.9425 0.0003510004
2920 2592.81032 1972.14231 0.0003424658
2991 2623.75491 1971.33623 0.0003343363
2987 2651.81834 1970.52425 0.0003347841
3063 2675.99839 1969.70637 0.0003264773
3164 2694.53877 1968.8826 0.0003160556
3234 2707.87165 1968.05292 0.0003092146
3272 2714.25118 1967.21733 0.0003056235
3249 2714.26069 1966.37585 0.000307787
3221 2707.52624 1965.52846 0.0003104626
3147 2694.95627 1964.67516 0.0003177629
3088 2677.70694 1963.81596 0.0003238342
3109 2657.22574 1962.95086 0.0003216468
3050 2634.36039 1962.07984 0.0003278689
2892 2611.34731 1961.20293 0.0003457815
2812 2588.64824 1960.3201 0.0003556188
2721 2567.55381 1959.43137 0.0003675119
2650 2548.47057 1958.53674 0.0003773585
2600 2531.8053 1957.6362 0.0003846154
2535 2517.77892 1956.72976 0.0003944773
2517 2506.45047 1955.81742 0.0003972984
2586 2497.73709 1954.89917 0.0003866976
2601 2491.44019 1953.97503 0.0003844675
2533 2487.28728 1953.04498 0.0003947888
2495 2484.99664 1952.10904 0.0004008016
2523 2483.78521 1951.16721 0.0003963535
2546 2484.739 1950.21948 0.000392773
2554 2487.13317 1949.26586 0.0003915427
2564 2491.89325 1948.30636 0.0003900156
2527 2499.2629 1947.34097 0.0003957262
2559 2509.89534 1946.36969 0.0003907776
2561 2524.48764 1945.39253 0.0003904725
2571 2543.70216 1944.4095 0.0003889537
2547 2568.09624 1943.42059 0.0003926188
2517 2598.06422 1942.42581 0.0003972984
2555 2633.79724 1941.42516 0.0003913894
2536 2675.22364 1940.41865 0.0003943218
2523 2722.01984 1939.40628 0.0003963535
2501 2773.64325 1938.38805 0.0003998401
2583 2829.08251 1937.36396 0.0003871467
2611 2887.27861 1936.33403 0.000382995
2633 2946.92136 1935.29825 0.0003797949
2660 3006.58092 1934.25664 0.0003759398
2755 3064.59892 1933.20919 0.0003629764
2885 3119.2831 1932.15591 0.0003466205
3008 3168.7535 1931.0968 0.0003324468
3042 3210.97669 1930.03187 0.0003287311
3098 3243.83693 1928.96113 0.0003227889
3135 3265.30155 1927.88458 0.0003189793
3102 3273.67326 1926.80222 0.0003223727
3140 3267.87319 1925.71407 0.0003184713
3171 3247.66226 1924.62012 0.0003153579
3190 3213.73463 1923.52039 0.0003134796
3079 3167.65309 1922.41488 0.0003247808
2968 3111.65541 1921.30359 0.0003369272
2938 3048.38534 1920.18653 0.0003403676
2918 2980.61492 1919.06372 0.0003427005
2805 2911.15586 1917.93515 0.0003565062
2625 2842.10931 1916.80083 0.0003809524
2557 2775.65992 1915.66077 0.0003910833
2619 2713.46604 1914.51498 0.0003818251
2539 2656.89727 1913.36347 0.0003938558
2465 2606.77829 1912.20624 0.0004056795
2425 2563.87333 1911.04329 0.0004123711
2426 2528.63589 1909.87465 0.0004122012
2424 2501.31913 1908.70031 0.0004125413
2438 2482.0062 1907.52028 0.0004101723
2479 2470.63218 1906.33458 0.0004033885
2455 2467.00266 1905.1432 0.000407332
2491 2470.80296 1903.94617 0.0004014452
2453 2481.6056 1902.74348 0.0004076641
2445 2498.87342 1901.53515 0.000408998
2442 2521.96383 1900.32119 0.0004095004
2473 2550.13006 1899.1016 0.0004043672
2506 2582.52438 1897.87639 0.0003990423
2443 2618.20387 1896.64558 0.0004093328
2408 2656.14119 1895.40917 0.0004152824
2464 2695.24122 1894.16718 0.0004058442
2490 2734.35711 1892.9196 0.0004016064
2517 2772.29804 1891.66646 0.0003972984
2550 2807.82202 1890.40776 0.0003921569
2486 2839.38302 1889.14352 0.0004022526
2531 2866.07373 1887.87374 0.0003951008
2536 2886.11052 1886.59843 0.0003943218
2532 2898.35108 1885.31761 0.0003949447
2458 2901.4889 1884.03129 0.0004068348
2454 2894.70683 1882.73947 0.000407498
2466 2877.71133 1881.44217 0.000405515
2366 2850.81062 1880.1394 0.0004226543
2441 2814.89581 1878.83117 0.0004096682
2498 2771.33168 1877.51749 0.0004003203
2418 2721.79118 1876.19838 0.0004135649
2398 2668.13079 1874.87384 0.0004170142
2342 2611.99679 1873.54389 0.0004269855
2354 2555.1744 1872.20855 0.0004248088
2215 2498.78228 1870.86781 0.0004514673
2173 2444.087 1869.5217 0.0004601933
2101 2391.88951 1868.17023 0.0004759638
2069 2342.84508 1866.8134 0.0004833253
2033 2297.45127 1865.45125 0.0004918839
2045 2255.81673 1864.08376 0.0004889976
2073 2218.12449 1862.71097 0.0004823927
1973 2184.36894 1861.33288 0.0005068424
1946 2154.45677 1859.9495 0.0005138746
1985 2128.21043 1858.56086 0.0005037783
1968 2105.41614 1857.16696 0.0005081301
1938 2085.82412 1855.76781 0.0005159959
1956 2069.16995 1854.36344 0.0005112474
1993 2055.1892 1852.95385 0.0005017561
1905 2043.63003 1851.53906 0.0005249344
1925 2034.2634 1850.11909 0.0005194805
1939 2026.89097 1848.69394 0.0005157298
1930 2021.35109 1847.26363 0.0005181347
1979 2017.52274 1845.82819 0.0005053057
1949 2015.32796 1844.38761 0.0005130836
1912 2014.73273 1842.94193 0.0005230126
1935 2015.74687 1841.49114 0.0005167959
1864 2018.42278 1840.03528 0.0005364807
1882 2022.20135 1838.57434 0.0005313496
1878 2028.52115 1837.10836 0.0005324814
1874 2036.88982 1835.63734 0.0005336179
1899 2047.17502 1834.1613 0.0005265929
1889 2060.24708 1832.68026 0.0005293806
1936 2076.00121 1831.19423 0.0005165289
1980 2094.67629 1829.70323 0.0005050505
1978 2116.50218 1828.20727 0.0005055612
1911 2141.69229 1826.70638 0.0005232862
1959 2170.42129 1825.20057 0.0005104645
1957 2202.81934 1823.68985 0.0005109862
1995 2238.94628 1822.17424 0.0005012531
1950 2278.77375 1820.65376 0.0005128205
2043 2322.16555 1819.12842 0.0004894763
2061 2368.88084 1817.59825 0.0004852014
2071 2418.47253 1816.06326 0.0004828585
2114 2470.40524 1814.52347 0.0004730369
2151 2523.9634 1812.9789 0.0004649
2187 2578.28485 1811.42956 0.0004572474
2220 2632.32596 1809.87546 0.0004504505
2276 2684.94388 1808.31664 0.0004393673
2283 2734.87886 1806.75311 0.0004380201
2344 2780.79815 1805.18488 0.0004266212
2441 2821.33542 1803.61198 0.0004096682
2410 2855.13705 1802.03442 0.0004149378
2508 2880.91945 1800.45222 0.0003987241
2415 2897.54271 1798.86541 0.0004140787
2478 2904.10102 1797.27399 0.0004035513
2436 2900.15601 1795.67799 0.000410509
2437 2885.29261 1794.07743 0.0004103406
2434 2859.97212 1792.47232 0.0004108463
2382 2824.99749 1790.86269 0.0004198153
2363 2781.64288 1789.24856 0.0004231909
2356 2731.31525 1787.62994 0.0004244482
2209 2675.74629 1786.00686 0.0004526935
2177 2616.81411 1784.37933 0.0004593477
2140 2555.86552 1782.74737 0.0004672897
2016 2494.52254 1781.11102 0.0004960317
2040 2434.05259 1779.47027 0.0004901961
2022 2375.41825 1777.82517 0.0004945598
1905 2319.5443 1776.17572 0.0005249344
1942 2267.13763 1774.52195 0.0005149331
1923 2218.16101 1772.86387 0.0005200208
1888 2173.16831 1771.20151 0.000529661
1865 2132.1869 1769.5349 0.000536193
1857 2095.28928 1767.86404 0.000538503
1785 2062.18095 1766.18897 0.0005602241
1782 2032.76565 1764.5097 0.0005611672
1854 2006.90467 1762.82625 0.0005393743
1861 1984.10777 1761.13865 0.0005373455
1854 1964.17161 1759.44692 0.0005393743
1774 1946.77769 1757.75108 0.0005636979
1852 1931.60698 1756.05115 0.0005399568
1931 1918.40112 1754.34716 0.0005178664
1850 1906.7717 1752.63912 0.0005405405
1843 1896.47641 1750.92706 0.0005425936
1865 1887.27952 1749.211 0.000536193
1913 1878.93132 1747.49096 0.0005227392
1875 1871.32355 1745.76697 0.0005333333
1836 1864.26352 1744.03905 0.0005446623
1855 1857.6248 1742.30722 0.0005390836
1863 1851.35703 1740.57151 0.0005367687
1842 1845.38409 1738.83193 0.0005428882
1802 1839.66742 1737.08851 0.000554939
1821 1834.1836 1735.34128 0.0005491488
1794 1828.91955 1733.59025 0.0005574136
1855 1823.86879 1731.83546 0.0005390836
1797 1819.04356 1730.07692 0.000556483
1797 1814.42125 1728.31466 0.000556483
1789 1809.99941 1726.54871 0.0005589715
1780 1805.78584 1724.77908 0.0005617978
1769 1801.77939 1723.0058 0.0005652911
1733 1797.98997 1721.22889 0.000577034
1685 1794.29891 1719.44839 0.0005934718
1707 1790.9003 1717.66431 0.0005858231
1682 1787.69714 1715.87668 0.0005945303
1758 1784.63902 1714.08552 0.0005688282
1721 1781.81426 1712.29086 0.0005810575
1751 1779.17244 1710.49272 0.0005711022
1720 1776.7103 1708.69113 0.0005813953
1742 1774.42579 1706.88611 0.0005740528
1636 1772.33391 1705.07769 0.0006112469
1662 1770.40572 1703.26589 0.0006016847
1701 1768.76968 1701.45075 0.0005878895
1685 1767.21687 1699.63227 0.0005934718
1678 1765.8747 1697.8105 0.0005959476
1731 1764.74388 1695.98545 0.0005777008
1808 1763.91417 1694.15716 0.0005530973
1728 1763.34499 1692.32564 0.0005787037
1753 1763.02125 1690.49093 0.0005704507
1731 1763.03652 1688.65305 0.0005777008
1670 1763.43707 1686.81202 0.0005988024
1745 1764.30677 1684.96788 0.0005730659
1707 1765.64476 1683.12064 0.0005858231
1707 1767.54819 1681.27034 0.0005858231
1777 1770.08966 1679.41701 0.0005627462
1765 1773.34659 1677.56066 0.0005665722
1810 1777.39995 1675.70133 0.0005524862
1832 1782.33231 1673.83904 0.0005458515
1759 1788.22566 1671.97383 0.0005685048
1804 1795.16902 1670.10571 0.0005543237
1762 1803.21372 1668.23472 0.0005675369
1784 1812.4318 1666.36088 0.0005605381
1816 1822.87048 1664.48422 0.0005506608
1912 1834.55775 1662.60477 0.0005230126
1887 1847.50254 1660.72255 0.0005299417
1855 1861.66851 1658.8376 0.0005390836
1993 1876.99976 1656.94994 0.0005017561
1939 1893.36387 1655.05959 0.0005157298
1900 1910.74845 1653.1666 0.0005263158
1999 1928.78552 1651.27098 0.0005002501
1976 1947.28838 1649.37277 0.0005060729
2091 1965.99848 1647.47199 0.0004782401
1997 1984.60334 1645.56867 0.0005007511
1992 2002.66173 1643.66284 0.000502008
2022 2019.80857 1641.75453 0.0004945598
2016 2035.62096 1639.84377 0.0004960317
2036 2049.63607 1637.93058 0.0004911591
2037 2061.49108 1636.015 0.000490918
2015 2070.84927 1634.09706 0.0004962779
2010 2077.16535 1632.17678 0.0004975124
2015 2080.32968 1630.25419 0.0004962779
2010 2080.21114 1628.32932 0.0004975124
2065 2076.83513 1626.40221 0.0004842615
2042 2070.4071 1624.47288 0.000489716
1989 2061.11083 1622.54137 0.0005027652
1960 2049.37145 1620.60769 0.0005102041
1952 2035.62237 1618.67189 0.0005122951
1945 2020.32176 1616.73398 0.0005141388
1885 2003.9244 1614.79401 0.000530504
1813 1986.8609 1612.852 0.000551572
1784 1969.54458 1610.90799 0.0005605381
1841 1952.28969 1608.96199 0.0005431831
1796 1935.42299 1607.01405 0.0005567929
1820 1919.28996 1605.0642 0.0005494505
1796 1903.95699 1603.11246 0.0005567929
1755 1889.6633 1601.15886 0.0005698006
1823 1876.55205 1599.20344 0.0005485464
1804 1864.76772 1597.24623 0.0005543237
1785 1854.25727 1595.28725 0.0005602241
1839 1845.08878 1593.32655 0.0005437738
1768 1837.24626 1591.36415 0.0005656109
1825 1830.69332 1589.40007 0.0005479452
1860 1824.88636 1587.43436 0.0005376344
1775 1820.68954 1585.46705 0.0005633803
1811 1817.53734 1583.49816 0.0005521811
1821 1815.08966 1581.52774 0.0005491488
1833 1813.69868 1579.5558 0.0005455537
1811 1813.00398 1577.58238 0.0005521811
1826 1812.87312 1575.60752 0.0005476451
1864 1813.16855 1573.63124 0.0005364807
1848 1813.75051 1571.65358 0.0005411255
1812 1814.48086 1569.67457 0.0005518764
1802 1815.22864 1567.69425 0.000554939
1858 1815.87704 1565.71264 0.0005382131
1826 1816.33128 1563.72978 0.0005476451
1875 1816.52586 1561.74569 0.0005333333
1829 1816.42963 1559.76042 0.0005467469
1820 1816.04722 1557.774 0.0005494505
1767 1815.41644 1555.78645 0.000565931
1845 1814.60228 1553.79782 0.0005420054
1778 1813.68894 1551.80813 0.0005624297
1669 1812.77133 1549.81742 0.0005991612
1689 1811.94738 1547.82572 0.0005920663
1670 1811.31243 1545.83306 0.0005988024
1747 1810.95591 1543.83948 0.0005724098
1733 1810.96094 1541.84501 0.000577034
1670 1811.40664 1539.84968 0.0005988024
1651 1812.37291 1537.85354 0.0006056935
1723 1813.94721 1535.8566 0.0005803831
1706 1816.23254 1533.85891 0.0005861665
1669 1819.35477 1531.8605 0.0005991612
1703 1823.46791 1529.8614 0.0005871991
1685 1828.75557 1527.86165 0.0005934718
1679 1835.42821 1525.86128 0.0005955926
1624 1843.71626 1523.86032 0.0006157635
1676 1853.85966 1521.85882 0.0005966587
1735 1866.09545 1519.8568 0.0005763689
1670 1880.64438 1517.8543 0.0005988024
1710 1897.69736 1515.85135 0.0005847953
1749 1917.40273 1513.84799 0.0005717553
1777 1939.85501 1511.84425 0.0005627462
1779 1965.08465 1509.84017 0.0005621135
1751 1993.04945 1507.83578 0.0005711022
1827 2023.62738 1505.83111 0.0005473454
1841 2056.59978 1503.82621 0.0005431831
1864 2091.69158 1501.82111 0.0005364807
1934 2128.50286 1499.81583 0.0005170631
1973 2166.54644 1497.81043 0.0005068424
1945 2205.26059 1495.80493 0.0005141388
2010 2243.97711 1493.79936 0.0004975124
2014 2281.94788 1491.79377 0.0004965243
2096 2318.34478 1489.78819 0.0004770992
2147 2352.27234 1487.78265 0.0004657662
2208 2382.78757 1485.77719 0.0004528986
2293 2408.93445 1483.77185 0.0004361099
2296 2429.61737 1481.76666 0.0004355401
2382 2444.37198 1479.76165 0.0004198153
2381 2452.28781 1477.75687 0.0004199916
2384 2453.13831 1475.75235 0.0004194631
2420 2446.71905 1473.74813 0.0004132231
2417 2433.22342 1471.74424 0.000413736
2362 2413.13982 1469.74071 0.00042337
2407 2387.21051 1467.73759 0.0004154549
2430 2356.3681 1465.73491 0.0004115226
2397 2321.66345 1463.73271 0.0004171882
2361 2284.19298 1461.73103 0.0004235493
2334 2245.03478 1459.72989 0.000428449
2188 2205.19843 1457.72934 0.0004570384
2167 2165.59005 1455.72942 0.0004614675
2144 2126.99289 1453.73015 0.0004664179
2017 2090.05933 1451.73159 0.0004957858
1975 2055.31097 1449.73376 0.0005063291
1929 2023.14483 1447.7367 0.0005184033
1946 1993.84201 1445.74045 0.0005138746
1880 1967.57816 1443.74505 0.0005319149
1850 1944.43522 1441.75053 0.0005405405
1879 1924.41311 1439.75694 0.000532198
1888 1907.44127 1437.7643 0.000529661
1832 1893.38933 1435.77265 0.0005458515
1882 1882.0752 1433.78204 0.0005313496
1764 1873.27142 1431.79251 0.0005668934
1807 1866.70835 1429.80408 0.0005534034
1827 1862.076 1427.8168 0.0005473454
1835 1859.02415 1425.8307 0.0005449591
1886 1857.1632 1423.84582 0.0005302227
1818 1856.06739 1421.86221 0.000550055
1869 1855.28202 1419.87989 0.0005350455
1821 1854.33666 1417.89891 0.0005491488
1847 1852.76546 1415.9193 0.0005414185
1780 1850.13272 1413.94111 0.0005617978
1817 1846.06185 1411.96437 0.0005503577
1787 1840.26233 1409.98911 0.0005595971
1741 1832.55053 1408.01539 0.0005743825
1698 1822.85972 1406.04323 0.0005889282
1754 1811.2391 1404.07268 0.0005701254
1719 1797.84139 1402.10377 0.0005817336
1594 1782.90291 1400.13654 0.0006273526
1654 1766.71922 1398.17103 0.0006045949
1675 1749.61981 1396.20729 0.0005970149
1632 1731.94487 1394.24534 0.0006127451
1563 1714.02682 1392.28523 0.0006397953
1611 1696.17632 1390.32699 0.0006207325
1570 1678.67383 1388.37067 0.0006369427
1558 1661.76543 1386.41631 0.0006418485
1575 1645.66169 1384.46394 0.0006349206
1535 1630.53839 1382.5136 0.0006514658
1464 1616.53844 1380.56534 0.0006830601
1446 1603.77426 1378.61918 0.0006915629
1482 1592.32985 1376.67518 0.0006747638
1533 1582.26294 1374.73337 0.0006523157
1528 1573.44425 1372.79379 0.0006544503
1533 1566.21194 1370.85648 0.0006523157
1497 1560.3925 1368.92147 0.0006680027
1503 1555.87635 1366.98882 0.000665336
1499 1552.78075 1365.05856 0.0006671114
1537 1550.96184 1363.13072 0.0006506181
1500 1550.34284 1361.20535 0.0006666667
1529 1550.83279 1359.28249 0.0006540222
1535 1552.32784 1357.36218 0.0006514658
1537 1554.71129 1355.44446 0.0006506181
1499 1557.8543 1353.52937 0.0006671114
1552 1561.61631 1351.61695 0.0006443299
1566 1565.84607 1349.70723 0.0006385696
1560 1570.38367 1347.80026 0.0006410256
1619 1575.06396 1345.89609 0.0006176652
1621 1579.72227 1343.99474 0.0006169031
1575 1584.20206 1342.09627 0.0006349206
1576 1588.36454 1340.2007 0.0006345178
1594 1592.09913 1338.30809 0.0006273526
1582 1595.3333 1336.41847 0.0006321113
1645 1598.03979 1334.53188 0.0006079027
1583 1600.23994 1332.64836 0.0006317119
1625 1602.00218 1330.76796 0.0006153846
1654 1603.43603 1328.89072 0.0006045949
1655 1604.61796 1327.01667 0.0006042296
1704 1605.83707 1325.14585 0.0005868545
1638 1607.19524 1323.27832 0.0006105006
1606 1608.82086 1321.4141 0.000622665
1641 1610.92196 1319.55324 0.0006093845
1615 1613.5837 1317.69579 0.000619195
1680 1616.89074 1315.84178 0.0005952381
1649 1620.88982 1313.99125 0.0006064281
1665 1625.58627 1312.14424 0.0006006006
1636 1630.94152 1310.3008 0.0006112469
1615 1636.87133 1308.46097 0.000619195
1652 1643.24468 1306.62479 0.0006053269
1665 1649.88302 1304.79229 0.0006006006
1613 1656.56188 1302.96353 0.0006199628
1607 1663.01443 1301.13855 0.0006222775
1674 1668.93878 1299.31737 0.0005973716
1649 1674.01046 1297.50006 0.0006064281
1602 1677.89936 1295.68664 0.0006242197
1585 1680.29152 1293.87716 0.0006309148
1654 1680.91302 1292.07167 0.0006045949
1649 1679.55209 1290.2702 0.0006064281
1606 1676.07737 1288.47279 0.000622665
1629 1670.44802 1286.67949 0.0006138735
1589 1662.71513 1284.89034 0.0006293266
1555 1653.01462 1283.10539 0.0006430868
1699 1641.55362 1281.32466 0.0005885815
1724 1628.59234 1279.54822 0.0005800464
1674 1614.42479 1277.77609 0.0005973716
1701 1599.36009 1276.00832 0.0005878895
1724 1583.70662 1274.24495 0.0005800464
1643 1567.75983 1272.48603 0.0006086427
1713 1551.55101 1270.7316 0.0005837712
1757 1535.81604 1268.98169 0.000569152
1765 1520.44203 1267.23636 0.0005665722
1812 1505.80355 1265.49564 0.0005518764
1786 1491.85836 1263.75958 0.0005599104
1791 1478.94969 1262.02821 0.0005583473
1763 1467.17092 1260.30159 0.000567215
1811 1456.58294 1258.57976 0.0005521811
1807 1447.27505 1256.86275 0.0005534034
1788 1439.3216 1255.15061 0.0005592841
1744 1432.78341 1253.44339 0.0005733945
1719 1427.70912 1251.74112 0.0005817336
1707 1424.13618 1250.04385 0.0005858231
1677 1422.09158 1248.35162 0.0005963029
1618 1421.59239 1246.66447 0.000618047
1633 1422.6459 1244.98246 0.0006123699
1611 1425.24953 1243.30561 0.0006207325
1563 1429.39045 1241.63397 0.0006397953
1535 1435.04459 1239.9676 0.0006514658
1519 1442.17649 1238.30652 0.0006583278
1525 1450.73668 1236.65078 0.0006557377
1535 1460.66092 1235.00043 0.0006514658
1537 1471.86838 1233.35551 0.0006506181
1611 1484.25905 1231.71606 0.0006207325
1552 1497.71161 1230.08213 0.0006443299
1612 1512.08094 1228.45375 0.0006203474
1626 1527.19526 1226.83098 0.0006150062
1620 1542.85373 1225.21386 0.000617284
1675 1558.8242 1223.60242 0.0005970149
1679 1574.84205 1221.99671 0.0005955926
1774 1590.61066 1220.39679 0.0005636979
1901 1605.80417 1218.80268 0.0005260389
1899 1620.06108 1217.21443 0.0005265929
1943 1633.04416 1215.63209 0.000514668
1984 1644.37877 1214.0557 0.0005040323
1992 1653.71398 1212.48531 0.000502008
1978 1660.75393 1210.92095 0.0005055612
2007 1665.23946 1209.36268 0.0004982561
2066 1666.98999 1207.81053 0.0004840271
2056 1665.90973 1206.26455 0.0004863813
2136 1661.99342 1204.72478 0.0004681648
2031 1655.32569 1203.19127 0.0004923683
2002 1646.07327 1201.66406 0.0004995005
1951 1634.47195 1200.14319 0.0005125577
1928 1620.81043 1198.62871 0.0005186722
1883 1605.41256 1197.12067 0.0005310674
1806 1588.61977 1195.6191 0.0005537099
1774 1570.77572 1194.12405 0.0005636979
1708 1552.21347 1192.63557 0.0005854801
1671 1533.00644 1191.15369 0.000598444
1583 1513.92016 1189.67847 0.0006317119
1563 1494.96927 1188.20995 0.0006397953
1550 1476.25697 1186.74816 0.0006451613
1551 1458.2139 1185.29317 0.0006447453
1510 1440.87921 1183.845 0.0006622517
1498 1424.38295 1182.4037 0.0006675567
1440 1408.82802 1180.96933 0.0006944444
1399 1394.29248 1179.54191 0.0007147963
1385 1380.8321 1178.12151 0.0007220217
1408 1368.48279 1176.70815 0.0007102273
1398 1357.2632 1175.30189 0.0007153076
1353 1347.17715 1173.90277 0.0007390983
1347 1338.21601 1172.51084 0.0007423905
1423 1330.36116 1171.12613 0.0007027407
1411 1323.5861 1169.7487 0.0007087172
1377 1317.85862 1168.37859 0.0007262164
1352 1313.14279 1167.01583 0.000739645
1376 1309.40076 1165.66049 0.0007267442
1348 1306.59446 1164.3126 0.0007418398
1356 1304.68712 1162.9722 0.0007374631
1353 1303.64468 1161.63934 0.0007390983
1385 1303.43703 1160.31407 0.0007220217
1358 1304.03914 1158.99643 0.000736377
1427 1305.43195 1157.68647 0.0007007708
1412 1307.60315 1156.38423 0.0007082153
1367 1310.54752 1155.08975 0.0007315289
1357 1314.26712 1153.80307 0.0007369197
1372 1318.771 1152.52426 0.000728863
1399 1324.07464 1151.25334 0.0007147963
1395 1330.19916 1149.99036 0.0007168459
1403 1337.17018 1148.73538 0.0007127584
1440 1345.01693 1147.48843 0.0006944444
1427 1353.77124 1146.24955 0.0007007708
1428 1363.46693 1145.0188 0.0007002801
1360 1374.13949 1143.79622 0.0007352941
1390 1385.82625 1142.58185 0.0007194245
1400 1398.56672 1141.37574 0.0007142857
1437 1412.40302 1140.17793 0.0006958942
1452 1427.38002 1138.98847 0.0006887052
1472 1443.54496 1137.8074 0.0006793478
1453 1460.94592 1136.63477 0.0006882312
1498 1479.62961 1135.47062 0.0006675567
1498 1499.63766 1134.31501 0.0006675567
1494 1521.00241 1133.16796 0.000669344
1532 1543.74173 1132.02953 0.0006527415
1534 1567.85352 1130.89977 0.0006518905
1590 1593.31043 1129.77872 0.0006289308
1628 1620.05464 1128.66642 0.0006142506
1677 1647.99405 1127.56291 0.0005963029
1745 1676.99977 1126.46826 0.0005730659
1769 1706.90574 1125.38249 0.0005652911
1874 1737.51153 1124.30565 0.0005336179
1929 1768.5871 1123.2378 0.0005184033
1933 1799.88091 1122.17897 0.0005173306
2007 1831.12929 1121.12921 0.0004982561
2064 1862.06641 1120.08856 0.0004844961
2138 1892.43283 1119.05708 0.0004677268
2184 1921.98159 1118.0348 0.0004578755
2284 1950.4807 1117.02177 0.0004378284
2338 1977.71255 1116.01804 0.000427716
2299 2003.47083 1115.02365 0.0004349717
2246 2027.55659 1114.03865 0.000445236
2201 2049.77505 1113.06308 0.0004543389
2269 2069.93365 1112.09699 0.0004407228
2236 2087.84315 1111.14042 0.0004472272
2181 2103.32002 1110.19342 0.0004585053
2168 2116.1904 1109.25603 0.0004612546
2105 2126.29506 1108.3283 0.0004750594
2035 2133.49408 1107.41028 0.0004914005
2099 2137.6722 1106.50201 0.0004764173
2122 2138.74374 1105.60353 0.0004712535
2058 2136.6585 1104.71489 0.0004859086
2020 2131.40641 1103.83614 0.0004950495
1998 2123.02159 1102.96732 0.0005005005
2052 2111.51903 1102.10848 0.0004873294
2057 2097.15163 1101.25965 0.0004861449
2058 2080.01756 1100.4209 0.0004859086
2073 2060.28029 1099.59226 0.0004823927
2064 2038.22462 1098.77378 0.0004844961
2044 2013.8388 1097.9655 0.0004892368
2074 1987.80404 1097.16748 0.0004821601
2068 1960.15574 1096.37975 0.000483559
2053 1931.14993 1095.60235 0.0004870921
2009 1900.93715 1094.83535 0.0004977601
1956 1869.99414 1094.07877 0.0005112474
1916 1838.47517 1093.33268 0.0005219207
1916 1806.64393 1092.5971 0.0005219207
1894 1774.76337 1091.8721 0.0005279831
1879 1743.09288 1091.1577 0.000532198
1832 1711.88424 1090.45397 0.0005458515
1831 1681.37781 1089.76094 0.0005461496
1832 1651.79797 1089.07866 0.0005458515
1808 1623.34969 1088.40718 0.0005530973
1745 1596.21554 1087.74653 0.0005730659
1659 1570.55353 1087.09677 0.0006027728
1628 1546.49625 1086.45795 0.0006142506
1594 1524.15065 1085.8301 0.0006273526
1566 1503.59865 1085.21328 0.0006385696
1563 1484.89838 1084.60752 0.0006397953
1575 1468.08545 1084.01288 0.0006349206
1541 1453.17494 1083.4294 0.0006489293
1526 1440.16311 1082.85712 0.000655308
1507 1429.02964 1082.29609 0.00066357
1447 1419.73993 1081.74636 0.000691085
1479 1412.24745 1081.20797 0.0006761325
1528 1406.49658 1080.68096 0.0006544503
1475 1402.42499 1080.16539 0.0006779661
1443 1399.96639 1079.6613 0.0006930007
1470 1399.05225 1079.16873 0.0006802721
1478 1399.61357 1078.68773 0.00067659
1488 1401.5813 1078.21834 0.000672043
1493 1404.88627 1077.76062 0.0006697924
1468 1409.45796 1077.31459 0.0006811989
1418 1415.22282 1076.88032 0.0007052186
1442 1422.10186 1076.45785 0.0006934813
1459 1430.00787 1076.04722 0.000685401
1442 1438.8426 1075.64847 0.0006934813
1470 1448.49396 1075.26166 0.0006802721
1483 1458.8276 1074.88682 0.0006743088
1482 1469.7081 1074.52401 0.0006747638
1443 1480.96306 1074.17326 0.0006930007
1449 1492.40322 1073.83464 0.0006901311
1482 1503.8294 1073.50817 0.0006747638
1508 1515.01806 1073.1939 0.00066313
1552 1525.73768 1072.89189 0.0006443299
1570 1535.75245 1072.60217 0.0006369427
1566 1544.83068 1072.32479 0.0006385696
1595 1552.75439 1072.0598 0.0006269592
1579 1559.32925 1071.80724 0.0006333122
1568 1564.39421 1071.56716 0.0006377551
1598 1567.82955 1071.3396 0.0006257822
1648 1569.5635 1071.12461 0.0006067961
1668 1569.57513 1070.92223 0.0005995204
1645 1567.89578 1070.73251 0.0006079027
1595 1564.60697 1070.5555 0.0006269592
1577 1559.83666 1070.39123 0.0006341154
1617 1553.75215 1070.23976 0.0006184292
1585 1546.55277 1070.10113 0.0006309148
1554 1538.46066 1069.97538 0.0006435006
1573 1529.71184 1069.86256 0.0006357279
1565 1520.54732 1069.76272 0.0006389776
1514 1511.20499 1069.6759 0.000660502
1517 1501.91297 1069.60214 0.0006591958
1494 1492.88379 1069.5415 0.000669344
1458 1484.31016 1069.49401 0.0006858711
1467 1476.36214 1069.45972 0.0006816633
1453 1469.18505 1069.43868 0.0006882312
1425 1462.89884 1069.43094 0.0007017544
1406 1457.59792 1069.43652 0.0007112376
1397 1453.35171 1069.45549 0.0007158196
1391 1450.20537 1069.48789 0.0007189073
1391 1448.18071 1069.53376 0.0007189073
1393 1447.27721 1069.59314 0.0007178751
1403 1447.47279 1069.66609 0.0007127584
1380 1448.72482 1069.75264 0.0007246377
1374 1450.97118 1069.85285 0.000727802
1419 1454.13174 1069.96676 0.0007047216
1401 1458.11052 1070.0944 0.0007137759
1320 1462.79855 1070.23583 0.0007575758
1314 1468.07753 1070.3911 0.000761035
1355 1473.82461 1070.56024 0.0007380074
1354 1479.91648 1070.7433 0.0007385524
1341 1486.2342 1070.94033 0.0007457122
1354 1492.66704 1071.15137 0.0007385524
1355 1499.11459 1071.37647 0.0007380074
1357 1505.48775 1071.61567 0.0007369197
1359 1511.70796 1071.86901 0.0007358352
1356 1517.70518 1072.13655 0.0007374631
1342 1523.41506 1072.41832 0.0007451565
1338 1528.7761 1072.71437 0.0007473842
1320 1533.7273 1073.02474 0.0007575758
1315 1538.20706 1073.34949 0.0007604563
1356 1542.15381 1073.68865 0.0007374631
1389 1545.50827 1074.04227 0.0007199424
1393 1548.21712 1074.41039 0.0007178751
1422 1550.23748 1074.79306 0.0007032349
1431 1551.54127 1075.19032 0.000698812
1387 1552.11864 1075.60222 0.0007209805
1405 1551.97984 1076.0288 0.0007117438
1455 1551.15469 1076.47011 0.0006872852
1412 1549.69027 1076.92619 0.0007082153
1382 1547.64658 1077.39708 0.000723589
1418 1545.09085 1077.88284 0.0007052186
1418 1542.09134 1078.38349 0.0007052186
1376 1538.7107 1078.8991 0.0007267442
1355 1535.00056 1079.4297 0.0007380074
1353 1530.99644 1079.97533 0.0007390983
1333 1526.71479 1080.53605 0.0007501875
1292 1522.15191 1081.11189 0.0007739938
1294 1517.2841 1081.70291 0.0007727975
1318 1512.07019 1082.30914 0.0007587253
1333 1506.45596 1082.93062 0.0007501875
1350 1500.37929 1083.56741 0.0007407407
1331 1493.77651 1084.21954 0.0007513148
1267 1486.58883 1084.88707 0.000789266
1231 1478.76859 1085.57003 0.0008123477
1269 1470.28437 1086.26847 0.0007880221
1311 1461.12472 1086.98243 0.0007627765
1297 1451.30016 1087.71196 0.00077101
1317 1440.84341 1088.4571 0.0007593014
1323 1429.80802 1089.2179 0.0007558579
1309 1418.26554 1089.99439 0.0007639419
1343 1406.30195 1090.78663 0.0007446016
1331 1393.92307 1091.59465 0.0007513148
1318 1381.41191 1092.41851 0.0007587253
1306 1368.7815 1093.25824 0.0007656968
1292 1356.08844 1094.11388 0.0007739938
1287 1343.52042 1094.98549 0.0007770008
1270 1331.12189 1095.8731 0.0007874016
1264 1318.97412 1096.77676 0.0007911392
1233 1307.14891 1097.69652 0.00081103
1219 1295.70812 1098.63241 0.0008203445
1244 1284.7038 1099.58448 0.0008038585
1233 1274.17842 1100.55277 0.00081103
1161 1264.16543 1101.53733 0.0008613264
1161 1254.67634 1102.5382 0.0008613264
1149 1245.75557 1103.55543 0.000870322
1117 1237.3998 1104.58905 0.0008952551
1174 1229.61285 1105.63911 0.0008517888
1150 1222.38617 1106.70565 0.0008695652
1108 1215.72648 1107.78872 0.0009025271
1140 1209.61574 1108.88836 0.000877193
1109 1204.0389 1110.00462 0.0009017133
1096 1198.97775 1111.13753 0.0009124088
1118 1194.41142 1112.28714 0.0008944544
1110 1190.317 1113.45349 0.0009009009
1097 1186.66998 1114.63663 0.000911577
1115 1183.4448 1115.8366 0.000896861
1131 1180.61525 1117.05344 0.0008841733
1149 1178.15492 1118.28719 0.000870322
1113 1176.03011 1119.5379 0.0008984726
1100 1174.22994 1120.80562 0.0009090909
1076 1172.72189 1122.09037 0.000929368
1080 1171.48189 1123.39221 0.0009259259
1113 1170.48333 1124.71118 0.0008984726
1115 1169.71204 1126.04732 0.000896861
1103 1169.14406 1127.40068 0.0009066183
1075 1168.76063 1128.77129 0.0009302326
1080 1168.54445 1130.1592 0.0009259259
1096 1168.4797 1131.56445 0.0009124088
1112 1168.55199 1132.98709 0.0008992806
1126 1168.74834 1134.42715 0.0008880995
1124 1169.05707 1135.88469 0.0008896797
1116 1169.46586 1137.35973 0.0008960573
1095 1169.96925 1138.85233 0.000913242
1068 1170.55714 1140.36252 0.0009363296
1097 1171.22135 1141.89035 0.000911577
1139 1171.95744 1143.43587 0.0008779631
1135 1172.75892 1144.9991 0.0008810573
1142 1173.59393 1146.5801 0.0008756567
1146 1174.51238 1148.17891 0.0008726003
1130 1175.48348 1149.79557 0.0008849558
1151 1176.50404 1151.43011 0.0008688097
1168 1177.5578 1153.08259 0.0008561644
1118 1178.66937 1154.75305 0.0008944544
1157 1179.82311 1156.44152 0.0008643042
1205 1181.01718 1158.14804 0.0008298755
1210 1182.24999 1159.87267 0.0008264463
1189 1183.52012 1161.61544 0.0008410429
1196 1184.82633 1163.37639 0.0008361204
1195 1186.16752 1165.15557 0.0008368201
1246 1187.5427 1166.95302 0.0008025682
1230 1188.95102 1168.76877 0.0008130081
1200 1190.39167 1170.60287 0.0008333333
1211 1191.86394 1172.45536 0.0008257638
1245 1193.3672 1174.32629 0.0008032129
1213 1194.90086 1176.21568 0.0008244023
1210 1196.46437 1178.12359 0.0008264463
1201 1198.05724 1180.05006 0.0008326395
1203 1199.67902 1181.99513 0.0008312552
1201 1201.30587 1183.95883 0.0008326395
1179 1202.98432 1185.94121 0.0008481764
1139 1204.69048 1187.94231 0.0008779631
1114 1206.41229 1189.96218 0.0008976661
1126 1208.17294 1192.00084 0.0008880995
1205 1209.96035 1194.05835 0.0008298755
1210 1211.77425 1196.13474 0.0008264463
1187 1213.61436 1198.23005 0.00084246
1179 1215.48044 1200.34433 0.0008481764
1188 1217.37226 1202.47762 0.0008417508
1201 1219.2896 1204.62995 0.0008326395
1222 1221.23225 1206.80137 0.0008183306
1251 1223.20003 1208.99191 0.0007993605
1265 1225.19274 1211.20163 0.0007905138
1293 1227.21022 1213.43055 0.0007733952
1265 1229.25231 1215.67872 0.0007905138
1317 1231.31886 1217.94617 0.0007593014
1327 1233.40971 1220.23296 0.0007535795
1326 1235.52474 1222.53911 0.0007541478
1324 1237.66383 1224.86468 0.000755287
1367 1239.82684 1227.20969 0.0007315289
1392 1242.01367 1229.57419 0.0007183908
1333 1244.22421 1231.95822 0.0007501875
1318 1246.45836 1234.36182 0.0007587253
1312 1248.71603 1236.78503 0.0007621951
1307 1250.99713 1239.22788 0.0007651109
1291 1253.30158 1241.69042 0.0007745933
1347 1255.62929 1244.17269 0.0007423905
1307 1257.96863 1246.67473 0.0007651109
1261 1260.34272 1249.19657 0.0007930214
1269 1262.73987 1251.73826 0.0007880221
1221 1265.16003 1254.29984 0.0008190008
1228 1267.59735 1256.88134 0.0008143322
1216 1270.04163 1259.4828 0.0008223684
1254 1272.53059 1262.10427 0.0007974482
1267 1275.04236 1264.74577 0.000789266
1235 1277.57688 1267.40736 0.0008097166
1230 1280.12326 1270.08907 0.0008130081
1200 1282.70324 1272.79094 0.0008333333
1210 1285.30586 1275.51301 0.0008264463
1218 1287.9311 1278.25531 0.0008210181
1253 1290.57892 1281.01789 0.0007980846
1239 1293.06165 1283.80079 0.0008071025
1319 1295.75537 1286.60403 0.0007581501
1342 1298.47161 1289.42767 0.0007451565
1315 1301.1162 1292.27174 0.0007604563
1349 1303.87781 1295.13628 0.0007412898
1317 1306.66188 1298.02132 0.0007593014
1374 1309.46839 1300.92691 0.000727802
1361 1312.29733 1303.85308 0.0007347539
1413 1315.1487 1306.79988 0.0007077141
1468 1318.02248 1309.76733 0.0006811989
1459 1320.91866 1312.75549 0.000685401
1445 1323.83724 1315.76437 0.0006920415
1446 1326.77822 1318.79404 0.0006915629
1445 1329.74159 1321.84451 0.0006920415
1477 1332.72735 1324.91583 0.0006770481
1457 1335.7355 1328.00804 0.0006863418
1469 1338.76604 1331.12118 0.0006807352
1396 1341.81898 1334.25528 0.0007163324
1421 1344.8943 1337.41037 0.0007037298
1421 1347.99203 1340.58651 0.0007037298
1402 1351.11216 1343.78372 0.0007132668
1416 1354.2547 1347.00204 0.0007062147
1388 1357.41965 1350.24151 0.0007204611
1401 1360.60703 1353.50217 0.0007137759
1419 1363.81684 1356.78405 0.0007047216
1386 1367.04908 1360.08719 0.0007215007
1397 1370.29214 1363.41163 0.0007158196
1345 1373.56935 1366.75741 0.0007434944
1389 1376.86903 1370.12455 0.0007199424
1414 1380.19119 1373.51311 0.0007072136
1435 1383.53003 1376.9231 0.0006968641
1412 1386.89722 1380.35458 0.0007082153
1417 1390.28694 1383.80758 0.0007057163
1428 1393.6992 1387.28213 0.0007002801
1410 1397.13401 1390.77827 0.0007092199
1359 1400.59138 1394.29604 0.0007358352
1371 1404.07134 1397.83547 0.0007293946
1400 1407.5739 1401.39661 0.0007142857
1376 1411.09893 1404.97947 0.0007267442
1404 1414.64674 1408.58411 0.0007122507
1427 1418.21721 1412.21056 0.0007007708
1414 1421.81027 1415.85885 0.0007072136
1377 1425.4261 1419.52902 0.0007262164
1377 1429.06464 1423.2211 0.0007262164
1435 1432.65377 1426.93513 0.0006968641
1437 1436.33808 1430.67115 0.0006958942
1432 1440.04516 1434.42919 0.000698324
1411 0 0 0.0007087172
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_C2
_database_code_depnum_ccdc_archive 'CCDC 1527305'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2016-12-14T23:54|C2|LoganMatt|MiniFlex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2016-12-14T23:54

#=============================================================================
# 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           2016-12-14T23:54
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     39
_refine_ls_goodness_of_fit_all   6.262

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.08686
_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        MIL-125-NHMe
_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_diffrn    ?
_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 MIL-125-NHMe_1 follows
_pd_phase_name                   MIL-125-NHMe_1
_cell_length_a                   18.635(16)
_cell_length_b                   18.635(16)
_cell_length_c                   18.131(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6296(15)
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.29(6) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -3.25(15) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.94(28) 32
C4 C 0.60116 0.90098 0.74832 0.130 Uiso 0.58(28) 32
C5 C 0.59591 0.72317 0.51695 0.130 Uiso 0.25(17) 32
C C 0.32953 0.89647 0.77716 0.130 Uiso 1(4)e1 32
Ti6 Ti 0.21437 0.06357 0.50000 0.500 Uiso -0.01(4) 16
O7 O 0.31110 0.05800 0.50000 0.500 Uiso 0.00(6) 16
C8 C 0.46333 0.06514 0.50000 0.500 Uiso 0.23(9) 16
N9 N 0.42348 0.12294 0.50000 0.130 Uiso 0.20(28) 16
O11 O 0.18190 0.00000 0.42650 0.500 Uiso -0.04(5) 16
O12 O 0.10740 0.10740 0.50000 0.250 Uiso -0.12(10) 8
C13 C 0.35070 0.00000 0.50000 0.250 Uiso -1.13(14) 8
C14 C 0.42650 0.00000 0.50000 0.250 Uiso 0.01(15) 8
C15 C 0.19400 0.19400 0.40230 0.500 Uiso 0.25(15) 16
C16 C 0.22250 0.22250 0.32090 0.500 Uiso -0.17(7) 16
O17 O 0.0579(20) 0.05793 0.2889(19) 0.627(27) Uiso 0.255 16
O21 O 0.00000 0.1917(27) 0.1673(18) 0.75(4) Uiso 0.138 16
O22 O 0.00000 0.187(6) 0.00000 0.65(6) Uiso 0.634 8

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 44.64
N 10.08
O 77.275
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C1.395 N0.315 O2.415 Ti0.25'
_chemical_formula_weight         71.78

# 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
O1 Ti6 2.01618 1_555 1_555 yes
O1 C15 1.18826 1_555 1_555 yes
C2 C2 1.41712 1_555 32_555 yes
C2 N3 1.37305 1_555 1_555 yes
C2 C16 1.39384 1_555 1_555 yes
N3 C2 1.37305 1_555 1_555 yes
N3 C 1.7927 1_555 21_544 yes
C4 C 1.39601 1_555 5_655 yes
C4 C 1.41013 1_555 28_656 yes
C5 C5 0.61452 1_555 11_556 yes
C N3 1.7927 1_555 21_555 yes
C C4 1.39601 1_555 5_655 yes
C C4 1.41013 1_555 26_466 yes
Ti6 O1 2.01618 1_555 1_555 yes
Ti6 O1 2.01618 1_555 11_556 yes
Ti6 Ti6 2.36946 1_555 7_555 yes
Ti6 O7 1.80557 1_555 1_555 yes
Ti6 O11 1.88298 1_555 1_555 yes
Ti6 O11 1.88298 1_555 11_556 yes
Ti6 O12 2.15422 1_555 1_555 yes
O7 Ti6 1.80557 1_555 1_555 yes
O7 C13 1.30874 1_555 1_555 yes
C8 C8 1.3667 1_555 5_655 yes
C8 N9 1.3083 1_555 1_555 yes
C8 C14 1.39449 1_555 1_555 yes
N9 C8 1.3083 1_555 1_555 yes
O11 Ti6 1.88298 1_555 1_555 yes
O11 Ti6 1.88298 1_555 7_555 yes
O12 Ti6 2.15422 1_555 1_555 yes
O12 Ti6 2.15422 1_555 8_555 yes
C13 O7 1.30874 1_555 1_555 yes
C13 O7 1.30874 1_555 7_555 yes
C13 C14 1.41255 1_555 1_555 yes
C14 C8 1.39449 1_555 1_555 yes
C14 C8 1.39449 1_555 7_555 yes
C14 C13 1.41255 1_555 1_555 yes
C15 O1 1.18826 1_555 1_555 yes
C15 O1 1.18826 1_555 8_555 yes
C15 C16 1.65599 1_555 1_555 yes
C16 C2 1.39384 1_555 1_555 yes
C16 C2 1.39384 1_555 8_555 yes
C16 C15 1.65599 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 C2 N3 119.97 32_555 1_555 1_555 yes
C2 C2 C16 123.389 32_555 1_555 1_555 yes
N3 C2 C16 116.607 1_555 1_555 1_555 yes
C C4 C 92.109 5_655 1_555 28_656 yes
C4 C C4 3.339 5_655 1_555 26_466 yes
Ti6 Ti6 O7 86.702 7_555 1_555 1_555 yes
Ti6 Ti6 O11 51.011 7_555 1_555 1_555 yes
O7 Ti6 O11 106.536 1_555 1_555 1_555 yes
Ti6 Ti6 O11 51.011 7_555 1_555 11_556 yes
O7 Ti6 O11 106.536 1_555 1_555 11_556 yes
O11 Ti6 O11 90.1 1_555 1_555 11_556 yes
Ti6 O7 C13 127.622 1_555 1_555 1_555 yes
C8 C8 N9 124.584 5_655 1_555 1_555 yes
C8 C8 C14 119.484 5_655 1_555 1_555 yes
N9 C8 C14 115.932 1_555 1_555 1_555 yes
Ti6 O11 Ti6 77.979 1_555 1_555 7_555 yes
O7 C13 O7 111.353 1_555 1_555 7_555 yes
O7 C13 C14 124.324 1_555 1_555 1_555 yes
O7 C13 C14 124.324 7_555 1_555 1_555 yes
C8 C14 C8 121.033 1_555 1_555 7_555 yes
C8 C14 C13 119.484 1_555 1_555 1_555 yes
C8 C14 C13 119.484 7_555 1_555 1_555 yes
O1 C15 O1 129.918 1_555 1_555 8_555 yes
C2 C16 C2 113.204 1_555 1_555 8_555 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -0.98(10); 
;
_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
    4.7(7)e3, -6.2(17)e2, 52(10), 11(6), -94(9), 0.0679(5), 
  Crystallite size model "isotropic" for MIL-125-NHMe_1 (microns)
  parameters: Size, G/L mix
    0(7), 1.000, 
  Mustrain model "isotropic" for MIL-125-NHMe_1 (10^6^)
    parameters: Mustrain, G/L mix
    1000.000, 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.16461
_refine_ls_R_Fsqd_factor         0.15433
_pd_proc_ls_prof_R_factor        0.06478
_pd_proc_ls_prof_wR_factor       0.08686
_gsas_proc_ls_prof_R_B_factor    0.05966
_gsas_proc_ls_prof_wR_B_factor   0.07286
_pd_proc_ls_prof_wR_expected     0.01402 # GOF = 6.26
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 2.9(13)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    2928.983, -210.961, -1335.767, -3579.306, 4729.180, -878.250, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             104
_reflns_limit_h_min              8
_reflns_limit_h_max              8
_reflns_limit_k_min              0
_reflns_limit_k_max              0
_reflns_limit_l_min              2
_reflns_limit_l_max              2
_reflns_d_resolution_low         13.177
_reflns_d_resolution_high        2.256

# POWDER DATA TABLE
_pd_meas_2theta_range_min        2.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        2.29629
_pd_proc_2theta_range_max        40.27629
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1900

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
15942 0 0 0
16200 0 0 0
16087 0 0 0
16049 0 0 0
16720 0 0 0
17148 0 0 0
16907 0 0 0
16862 0 0 0
16663 0 0 0
16262 0 0 0
16801 0 0 0
17095 0 0 0
16609 0 0 0
16107 0 0 0
16343 0 0 0
16095 0 0 0
16214 0 0 0
15892 0 0 0
15425 0 0 0
15789 0 0 0
15448 0 0 0
14996 0 0 0
14736 0 0 0
14456 0 0 0
14694 0 0 0
14434 0 0 0
13942 0 0 0
14266 0 0 0
14111 0 0 0
13596 0 0 0
13484 0 0 0
13673 0 0 0
13655 0 0 0
13026 0 0 0
13291 0 0 0
13746 0 0 0
13391 0 0 0
13027 0 0 0
12791 0 0 0
12739 0 0 0
12341 0 0 0
12433 0 0 0
12536 0 0 0
12317 0 0 0
12193 0 0 0
11896 0 0 0
11726 0 0 0
11697 0 0 0
11756 0 0 0
11571 0 0 0
11705 0 0 0
11869 0 0 0
11607 0 0 0
11403 0 0 0
11407 0 0 0
11268 0 0 0
11094 0 0 0
11326 0 0 0
11467 0 0 0
11190 0 0 0
11061 0 0 0
11057 0 0 0
10833 0 0 0
10841 0 0 0
10980 0 0 0
10749 0 0 0
10875 0 0 0
10849 0 0 0
10785 0 0 0
10682 0 0 0
10784 0 0 0
10907 0 0 0
10664 0 0 0
10668 0 0 0
10633 0 0 0
10626 0 0 0
10422 0 0 0
10411 0 0 0
10552 0 0 0
10503 0 0 0
10300 0 0 0
10382 0 0 0
10438 0 0 0
10580 0 0 0
10421 0 0 0
9915 0 0 0
9957 0 0 0
10179 0 0 0
9822 0 0 0
9809 0 0 0
10362 0 0 0
10528 0 0 0
10147 0 0 0
10380 0 0 0
10187 0 0 0
9891 0 0 0
9783 0 0 0
10046 0 0 0
10000 0 0 0
10142 0 0 0
9713 10994.11707 10990.91172 0.0001029548
9530 10959.09116 10955.83546 0.0001049318
9871 10924.18142 10920.87415 0.0001013069
9910 10889.38764 10886.02756 0.0001009082
9981 10854.7096 10851.2954 0.0001001904
9868 10852.43059 10816.67744 0.0001013377
9929 10834.65866 10782.1734 0.0001007151
9845 10801.10196 10747.78304 0.0001015744
9905 10767.67901 10713.5061 0.0001009591
10001 10734.39022 10679.34232 0.00009999
9922 10701.23605 10645.29145 0.0001007861
9729 10668.21698 10611.35323 0.0001027855
9741 10635.33354 10577.5274 0.0001026589
9607 10602.58625 10543.81372 0.0001040908
9497 10569.97572 10510.21193 0.0001052964
9774 10537.50255 10476.72178 0.0001023123
10114 10505.16744 10443.343 0.0000988728
9912 10472.97108 10410.07535 0.0001008878
9503 10440.91421 10376.91858 0.0001052299
9822 10408.99765 10343.87243 0.0001018123
9824 10377.22224 10310.93665 0.0001017915
9653 10345.5889 10278.11099 0.0001035947
9542 10314.09857 10245.3952 0.0001047998
9587 10282.75227 10212.78903 0.0001043079
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2715 2968.65338 2527.7277 0.0003683241
2592 2948.49053 2525.64027 0.0003858025
2580 2928.97083 2523.54862 0.0003875969
2492 2910.30713 2521.4528 0.0004012841
2492 2892.75922 2519.3528 0.0004012841
2469 2876.69924 2517.24866 0.0004050223
2470 2862.66927 2515.14039 0.0004048583
2364 2851.41921 2513.02803 0.0004230118
2469 2843.92034 2510.91158 0.0004050223
2412 2841.3482 2508.79106 0.0004145937
2378 2845.036 2506.66651 0.0004205214
2460 2856.40122 2504.53795 0.0004065041
2492 2876.85085 2502.40538 0.0004012841
2441 2907.67237 2500.26885 0.0004096682
2564 2949.92201 2498.12836 0.0003900156
2458 3004.31495 2495.98394 0.0004068348
2525 3071.1325 2493.83561 0.0003960396
2627 3150.14882 2491.6834 0.0003806624
2727 3240.58889 2489.52733 0.0003667033
2799 3341.11837 2487.36741 0.0003572705
2819 3449.86971 2485.20368 0.0003547357
3018 3564.50194 2483.03615 0.0003313453
3157 3682.29091 2480.86485 0.0003167564
3323 3800.24237 2478.6898 0.0003009329
3389 3915.21787 2476.51102 0.0002950723
3661 4024.06492 2474.32855 0.0002731494
3896 4123.74312 2472.14239 0.0002566735
3945 4211.43446 2469.95257 0.0002534854
4120 4284.63719 2467.75912 0.0002427184
4347 4341.24034 2465.56206 0.0002300437
4588 4379.57577 2463.36142 0.0002179599
4732 4398.45883 2461.15721 0.0002113271
4904 4397.21218 2458.94947 0.0002039152
4920 4375.68302 2456.73821 0.000203252
5046 4334.2526 2454.52346 0.0001981768
5129 4273.83546 2452.30525 0.0001949698
5230 4195.86562 2450.08359 0.0001912046
5220 4102.2707 2447.85852 0.0001915709
4982 3995.4178 2445.63005 0.0002007226
4930 3878.04122 2443.39822 0.0002028398
4631 3753.14108 2441.16304 0.0002159361
4406 3623.86434 2438.92455 0.0002269632
4170 3493.36747 2436.68276 0.0002398082
3817 3364.67874 2434.4377 0.0002619859
3528 3240.56571 2432.1894 0.0002834467
3260 3123.42151 2429.93788 0.0003067485
3057 3015.18019 2427.68317 0.0003271181
2876 2917.26566 2425.42529 0.0003477051
2813 2830.57709 2423.16426 0.0003554924
2813 2755.50985 2420.90012 0.0003554924
2741 2692.00471 2418.6329 0.0003648304
2676 2639.61877 2416.3626 0.0003736921
2785 2597.60769 2414.08927 0.0003590664
2772 2565.01161 2411.81292 0.0003607504
2823 2540.73547 2409.53359 0.0003542331
2706 2523.61964 2407.2513 0.0003695492
2817 2512.49598 2404.96607 0.0003549876
2836 2506.2299 2402.67794 0.0003526093
2814 2503.7486 2400.38693 0.000355366
2737 2504.05824 2398.09306 0.0003653635
2816 2506.25319 2395.79636 0.0003551136
2718 2509.52041 2393.49687 0.0003679176
2682 2513.14162 2391.19459 0.0003728561
2731 2516.49526 2388.88958 0.0003661662
2715 2519.05909 2386.58184 0.0003683241
2712 2520.41314 2384.27141 0.0003687316
2662 2520.24305 2381.95832 0.0003756574
2745 2518.34178 2379.64258 0.0003642987
2677 2514.60928 2377.32424 0.0003735525
2663 2509.04848 2375.00332 0.0003755163
2641 2501.75758 2372.67984 0.0003786445
2608 2492.91778 2370.35383 0.0003834356
2602 2482.7778 2368.02533 0.0003843198
2502 2471.63549 2365.69435 0.0003996803
2452 2459.81833 2363.36094 0.0004078303
2359 2447.66419 2361.02511 0.0004239084
2387 2435.50369 2358.68689 0.0004189359
2341 2423.64589 2356.34631 0.0004271679
2243 2412.36749 2354.00341 0.0004458315
2209 2401.9068 2351.6582 0.0004526935
2243 2392.46153 2349.31072 0.0004458315
2178 2384.19062 2346.961 0.0004591368
2200 2377.21868 2344.60907 0.0004545455
2241 2371.64207 2342.25495 0.0004462294
2159 2367.53549 2339.89867 0.0004631774
2177 2364.95743 2337.54027 0.0004593477
2126 2363.95393 2335.17977 0.0004703669
2141 2364.55939 2332.8172 0.0004670715
2161 2366.79442 2330.45259 0.0004627487
2131 2370.66037 2328.08598 0.0004692633
2147 2376.1315 2325.71738 0.0004657662
2218 2383.14505 2323.34684 0.0004508566
2280 2391.59118 2320.97437 0.0004385965
2288 2401.30354 2318.60002 0.0004370629
2315 2412.05287 2316.2238 0.0004319654
2251 2423.5443 2313.84576 0.000444247
2347 2435.4203 2311.46592 0.0004260758
2370 2447.26954 2309.0843 0.0004219409
2352 2458.64191 2306.70095 0.0004251701
2468 2469.0695 2304.31589 0.0004051864
2442 2478.09152 2301.92915 0.0004095004
2549 2485.28165 2299.54077 0.0003923107
2587 2490.27557 2297.15077 0.0003865481
2666 2492.79578 2294.75918 0.0003750938
2689 2492.67101 2292.36604 0.0003718855
2734 2489.84867 2289.97138 0.0003657644
2804 2484.39875 2287.57523 0.0003566334
2763 2476.50839 2285.17761 0.0003619254
2696 2466.46803 2282.77856 0.0003709199
2677 2454.6501 2280.37812 0.0003735525
2646 2441.48264 2277.97631 0.0003779289
2624 2427.42029 2275.57317 0.0003810976
2559 2412.91545 2273.16872 0.0003907776
2437 2398.39224 2270.763 0.0004103406
2377 2384.22543 2268.35604 0.0004206984
2287 2370.72556 2265.94787 0.000437254
2231 2358.13128 2263.53853 0.0004482295
2232 2346.60879 2261.12805 0.0004480287
2194 2336.25747 2258.71645 0.0004557885
2176 2327.12033 2256.30378 0.0004595588
2225 2319.19787 2253.89005 0.0004494382
2227 2312.46339 2251.47532 0.0004490346
2251 2306.87797 2249.0596 0.000444247
2150 2302.40373 2246.64294 0.0004651163
2198 2299.01411 2244.22536 0.0004549591
2205 2296.7004 2241.80689 0.0004535147
2262 2295.474 2239.38758 0.0004420866
2290 2295.36442 2236.96745 0.0004366812
2308 2296.41337 2234.54654 0.0004332756
2340 2298.66538 2232.12487 0.0004273504
2306 2302.15585 2229.70249 0.0004336513
2257 2306.8978 2227.27943 0.000443066
2281 2312.86803 2224.85571 0.0004384042
2404 2319.99473 2222.43138 0.0004159734
2402 2328.14733 2220.00646 0.0004163197
2403 2337.13002 2217.581 0.0004161465
2453 2346.68033 2215.15502 0.0004076641
2532 2356.47336 2212.72855 0.0003949447
2530 2366.13159 2210.30164 0.0003952569
2584 2375.24087 2207.87432 0.0003869969
2664 2383.37138 2205.44662 0.0003753754
2717 2390.10245 2203.01857 0.000368053
2806 2395.04913 2200.59021 0.0003563792
2851 2397.88902 2198.16157 0.0003507541
2932 2398.38692 2195.7327 0.0003410641
3001 2396.41542 2193.30361 0.0003332223
2981 2391.96982 2190.87435 0.0003354579
3009 2385.17658 2188.44496 0.0003323363
2937 2376.29426 2186.01546 0.0003404835
2832 2365.70876 2183.58589 0.0003531073
2767 2353.92198 2181.1563 0.0003614022
2689 2341.53671 2178.7267 0.0003718855
2549 2329.23871 2176.29714 0.0003923107
2472 2317.77779 2173.86765 0.0004045307
2443 2307.94865 2171.43827 0.0004093328
2318 2300.57249 2169.00903 0.0004314064
2306 2296.47939 2166.57998 0.0004336513
2253 2296.49045 2164.15113 0.0004438526
2238 2301.39887 2161.72254 0.0004468275
2129 2311.94843 2159.29423 0.0004697041
2113 2328.80804 2156.86625 0.0004732608
2152 2352.54101 2154.43862 0.000464684
2210 2383.56928 2152.01139 0.0004524887
2242 2422.13319 2149.58458 0.0004460303
2225 2468.24898 2147.15824 0.0004494382
2218 2521.66692 2144.73241 0.0004508566
2331 2581.83465 2142.30711 0.0004290004
2395 2647.87086 2139.88238 0.0004175365
2449 2718.55427 2137.45827 0.0004083299
2550 2792.33189 2135.03481 0.0003921569
2539 2867.35059 2132.61203 0.0003938558
2747 2941.51336 2130.18997 0.0003640335
2893 3012.55819 2127.76867 0.0003456619
3066 3078.15957 2125.34817 0.0003261579
3234 3136.04053 2122.92849 0.0003092146
3390 3184.09592 2120.50969 0.0002949853
3509 3220.50861 2118.09179 0.0002849815
3692 3243.85668 2115.67484 0.0002708559
3836 3253.19722 2113.25886 0.0002606882
3897 3248.12313 2110.84391 0.0002566076
3975 3228.7841 2108.43001 0.0002515723
3907 3195.87408 2106.0172 0.0002559509
3900 3150.58396 2103.60553 0.0002564103
3752 3094.52428 2101.19502 0.0002665245
3481 3029.62441 2098.78572 0.0002872738
3287 2958.01904 2096.37766 0.0003042288
3161 2881.92942 2093.97088 0.0003163556
2925 2803.5482 2091.56543 0.0003418803
2816 2724.93751 2089.16133 0.0003551136
2578 2647.94656 2086.75863 0.0003878976
2532 2574.14981 2084.35736 0.0003949447
2445 2504.81136 2081.95756 0.000408998
2290 2440.87126 2079.55928 0.0004366812
2137 2382.95263 2077.16254 0.0004679457
2119 2331.38648 2074.7674 0.0004719207
2116 2286.24733 2072.37388 0.0004725898
2051 2247.39711 2069.98202 0.000487567
2015 2214.53085 2067.59187 0.0004962779
2015 2187.2219 2065.20346 0.0004962779
2017 2164.96265 2062.81683 0.0004957858
1984 2147.1997 2060.43203 0.0005040323
2005 2133.36223 2058.04908 0.0004987531
1984 2122.8835 2055.66803 0.0005040323
1937 2115.21635 2053.28892 0.0005162623
1944 2109.8434 2050.91179 0.0005144033
1955 2106.28344 2048.53667 0.000511509
1964 2104.09505 2046.16361 0.000509165
1976 2102.87876 2043.79265 0.0005060729
1971 2102.27839 2041.42382 0.0005073567
1970 2101.98247 2039.05717 0.0005076142
1922 2101.7259 2036.69273 0.0005202914
1965 2101.29182 2034.33054 0.0005089059
1970 2100.51398 2031.97065 0.0005076142
1985 2099.27903 2029.6131 0.0005037783
2006 2097.52872 2027.25791 0.0004985045
2016 2095.26184 2024.90514 0.0004960317
1997 2092.5356 2022.55483 0.0005007511
2002 2089.46681 2020.20701 0.0004995005
2031 2086.23244 2017.86173 0.0004923683
1986 2083.07052 2015.51902 0.0005035247
2031 2080.28076 2013.17892 0.0004923683
2011 2078.2254 2010.84149 0.000497265
2000 2077.33042 2008.50674 0.0005
1946 2078.08625 2006.17474 0.0005138746
1945 2081.04781 2003.84552 0.0005141388
2011 2086.83276 2001.51911 0.000497265
1992 2096.11716 1999.19556 0.000502008
1975 2109.62605 1996.87492 0.0005063291
1992 2128.11923 1994.55721 0.000502008
2005 2152.36925 1992.24249 0.0004987531
1997 2183.13181 1989.9308 0.0005007511
2014 2221.10809 1987.62216 0.0004965243
1993 2266.89899 1985.31664 0.0005017561
2024 2320.95408 1983.01426 0.0004940711
2066 2383.51668 1980.71507 0.0004840271
2061 2454.56975 1978.41912 0.0004852014
2084 2533.78694 1976.12643 0.0004798464
2107 2620.49415 1973.83706 0.0004746084
2191 2713.64569 1971.55104 0.0004564126
2279 2811.82259 1969.26842 0.0004387889
2358 2913.2537 1966.98925 0.0004240882
2430 3015.86295 1964.71355 0.0004115226
2537 3117.34359 1962.44137 0.0003941663
2631 3215.25312 1960.17276 0.0003800836
2777 3307.13173 1957.90776 0.0003601008
2915 3390.62592 1955.6464 0.0003430532
3125 3463.61877 1953.38874 0.00032
3326 3524.35054 1951.13481 0.0003006615
3461 3571.5221 1948.88466 0.0002889338
3578 3604.37223 1946.63833 0.0002794857
3719 3622.72117 1944.39586 0.0002688895
3754 3626.97713 1942.15729 0.0002663825
3684 3618.10265 1939.92266 0.0002714441
3630 3597.54599 1937.69203 0.0002754821
3590 3567.14025 1935.46543 0.0002785515
3564 3528.98038 1933.2429 0.0002805836
3528 3485.28575 1931.02449 0.0002834467
3552 3438.26144 1928.81024 0.0002815315
3533 3389.96775 1926.6002 0.0002830456
3518 3342.20491 1924.3944 0.0002842524
3634 3296.42663 1922.19289 0.0002751789
3735 3253.67919 1919.99571 0.0002677376
3768 3214.5771 1917.80291 0.0002653928
3768 3179.30872 1915.61453 0.0002653928
3903 3147.67094 1913.43061 0.0002562132
3977 3119.12956 1911.2512 0.0002514458
3986 3092.8968 1909.07634 0.0002508781
4026 3068.02267 1906.90607 0.0002483855
3974 3043.48814 1904.74044 0.0002516356
3907 3018.29746 1902.57949 0.0002559509
3802 2991.56251 1900.42326 0.0002630195
3761 2962.57458 1898.2718 0.0002658867
3745 2930.85723 1896.12516 0.0002670227
3652 2896.20374 1893.98337 0.0002738226
3551 2858.69262 1891.84648 0.0002816108
3513 2818.68257 1889.71453 0.000284657
3395 2776.79239 1887.58758 0.0002945508
3260 2733.86089 1885.46565 0.0003067485
3160 2690.89744 1883.34881 0.0003164557
3120 2649.01951 1881.23708 0.0003205128
2970 2609.38673 1879.13052 0.0003367003
2812 2573.13193 1877.02917 0.0003556188
2809 2541.29279 1874.93308 0.0003559986
2754 2514.75184 1872.84228 0.0003631082
2681 2494.18298 1870.75683 0.0003729952
2576 2480.00962 1868.67677 0.0003881988
2413 2472.37863 1866.60214 0.0004144219
2364 2471.14709 1864.53298 0.0004230118
2339 2475.88762 1862.46935 0.0004275331
2311 2485.90848 1860.41129 0.0004327131
2255 2500.2891 1858.35885 0.000443459
2254 2517.93041 1856.31206 0.0004436557
2193 2537.613 1854.27097 0.0004559964
2126 2558.06655 1852.23563 0.0004703669
2169 2578.03927 1850.20608 0.000461042
2185 2596.36756 1848.18238 0.0004576659
2180 2612.04135 1846.16455 0.0004587156
2194 2624.25529 1844.15266 0.0004557885
2220 2632.45192 1842.14674 0.0004504505
2226 2636.34192 1840.14684 0.0004492363
2206 2635.91163 1838.15301 0.0004533092
2163 2631.40686 1836.16529 0.0004623209
2157 2623.30227 1834.18372 0.0004636069
2138 2612.254 1832.20836 0.0004677268
2097 2599.03968 1830.23925 0.0004768717
2100 2584.49322 1828.27643 0.0004761905
2101 2569.43641 1826.31995 0.0004759638
2087 2554.61438 1824.36986 0.0004791567
2101 2540.63899 1822.4262 0.0004759638
2127 2527.94559 1820.48902 0.0004701457
2068 2516.76437 1818.55837 0.000483559
2081 2507.10923 1816.63428 0.0004805382
2166 2498.78572 1814.71681 0.0004616805
2163 2491.41282 1812.80601 0.0004623209
2203 2484.46095 1810.90191 0.0004539265
2281 2477.29899 1809.00457 0.0004384042
2298 2469.24779 1807.11404 0.000435161
2368 2459.6358 1805.23035 0.0004222973
2441 2447.85156 1803.35356 0.0004096682
2485 2433.3891 1801.48371 0.0004024145
2533 2415.88498 1799.62085 0.0003947888
2645 2395.14234 1797.76502 0.0003780718
2731 2371.1416 1795.91628 0.0003661662
2752 2344.03963 1794.07466 0.0003633721
2768 2314.15591 1792.24022 0.0003612717
2750 2281.94978 1790.41301 0.0003636364
2669 2247.98918 1788.59306 0.0003746722
2641 2212.91613 1786.78043 0.0003786445
2656 2177.40984 1784.97516 0.000376506
2592 2142.15159 1783.17731 0.0003858025
2493 2107.79268 1781.38691 0.0004011231
2409 2074.92874 1779.60402 0.00041511
2320 2044.07953 1777.82869 0.0004310345
2193 2015.67697 1776.06095 0.0004559964
2124 1990.05991 1774.30086 0.0004708098
2060 1967.47536 1772.54846 0.0004854369
2077 1948.0853 1770.80381 0.0004814636
2071 1931.9776 1769.06695 0.0004828585
2020 1919.17939 1767.33792 0.0004950495
2060 1909.67161 1765.61678 0.0004854369
2056 1903.40299 1763.90357 0.0004863813
2043 1900.30235 1762.19835 0.0004894763
2015 1900.28818 1760.50115 0.0004962779
2029 1903.27485 1758.81203 0.0004928536
2045 1909.17467 1757.13103 0.0004889976
1996 1917.89667 1755.4582 0.000501002
1976 1929.34133 1753.7936 0.0005060729
1955 1943.39256 1752.13726 0.000511509
1989 1959.90767 1750.48924 0.0005027652
2020 1978.70639 1748.84958 0.0004950495
1986 1999.55979 1747.21834 0.0005035247
1954 2022.18104 1745.59555 0.0005117707
1943 2046.21881 1743.98128 0.000514668
1890 2071.25404 1742.37556 0.0005291005
1855 2096.80178 1740.77845 0.0005390836
1939 2122.31835 1739.18999 0.0005157298
1928 2147.21364 1737.61024 0.0005186722
1940 2170.868 1736.03923 0.0005154639
2024 2192.65486 1734.47703 0.0004940711
2078 2211.96506 1732.92367 0.000481232
2132 2228.23445 1731.37921 0.0004690432
2195 2240.97056 1729.8437 0.0004555809
2181 2249.77782 1728.31718 0.0004585053
2178 2254.37904 1726.7997 0.0004591368
2220 2254.6324 1725.29132 0.0004504505
2270 2250.54015 1723.79208 0.0004405286
2308 2242.25205 1722.30202 0.0004332756
2308 2230.05864 1720.82121 0.0004332756
2273 2214.37888 1719.34968 0.0004399472
2234 2195.73978 1717.88749 0.0004476276
2257 2174.75077 1716.43468 0.000443066
2192 2152.07388 1714.99131 0.0004562044
2130 2128.39202 1713.55743 0.0004694836
2094 2104.37711 1712.13307 0.0004775549
2084 2080.6602 1710.7183 0.0004798464
2051 2057.8043 1709.31317 0.000487567
1963 2036.28314 1707.91771 0.0005094244
1901 2016.46489 1706.53198 0.0005260389
1885 1998.60337 1705.15604 0.000530504
1904 1982.83448 1703.78992 0.0005252101
1937 1969.18038 1702.43369 0.0005162623
1925 1957.55792 1701.08738 0.0005194805
1921 1947.79265 1699.75105 0.0005205622
1999 1939.63605 1698.42475 0.0005002501
2031 1932.78499 1697.10852 0.0004923683
2054 1926.90234 1695.80243 0.0004868549
2084 1921.63779 1694.50651 0.0004798464
2136 1916.64661 1693.22082 0.0004681648
2241 1911.60795 1691.9454 0.0004462294
2298 1906.23848 1690.68032 0.000435161
2305 1900.30459 1689.42561 0.0004338395
2345 1893.63007 1688.18132 0.0004264392
2364 1886.10063 1686.94751 0.0004230118
2342 1877.6651 1685.72423 0.0004269855
2401 1868.33321 1684.51153 0.0004164931
2330 1858.17113 1683.30946 0.0004291845
2252 1847.29452 1682.11806 0.0004440497
2212 1835.85999 1680.93739 0.0004520796
2111 1824.05596 1679.76749 0.0004737091
2040 1812.09233 1678.60843 0.0004901961
2034 1800.19103 1677.46024 0.0004916421
1928 1788.57681 1676.32299 0.0005186722
1833 1777.46869 1675.19671 0.0005455537
1821 1767.07307 1674.08146 0.0005491488
1766 1757.57763 1672.97729 0.0005662514
1711 1749.14691 1671.88425 0.0005844535
1706 1741.91873 1670.8024 0.0005861665
1685 1736.00205 1669.73178 0.0005934718
1698 1731.47541 1668.67243 0.0005889282
1688 1728.38621 1667.62443 0.0005924171
1659 1726.75053 1666.5878 0.0006027728
1625 1726.55315 1665.56262 0.0006153846
1659 1727.74805 1664.54891 0.0006027728
1705 1730.25906 1663.54675 0.0005865103
1663 1733.98088 1662.55617 0.0006013229
1612 1738.78058 1661.57723 0.0006203474
1619 1744.49958 1660.60998 0.0006176652
1619 1750.95659 1659.65447 0.0006176652
1611 1757.95107 1658.71075 0.0006207325
1623 1765.2681 1657.77887 0.0006161429
1623 1772.68398 1656.85888 0.0006161429
1649 1779.97261 1655.95084 0.0006064281
1630 1786.91322 1655.0548 0.0006134969
1684 1793.29793 1654.1708 0.0005938242
1682 1798.93977 1653.2989 0.0005945303
1678 1803.68051 1652.43915 0.0005959476
1714 1807.39731 1651.59161 0.0005834306
1661 1810.0088 1650.75631 0.000602047
1664 1811.47917 1649.93331 0.0006009615
1627 1811.82017 1649.12268 0.0006146281
1618 1811.09164 1648.32444 0.000618047
1682 1809.39907 1647.53867 0.0005945303
1689 1806.88972 1646.7654 0.0005920663
1683 1803.74596 1646.0047 0.0005941771
1615 1800.17793 1645.2566 0.000619195
1629 1796.41427 1644.52117 0.0006138735
1638 1792.69278 1643.79846 0.0006105006
1612 1789.25061 1643.08851 0.0006203474
1645 1786.31498 1642.39139 0.0006079027
1640 1784.0952 1641.70713 0.0006097561
1695 1782.7757 1641.03579 0.0005899705
1729 1782.51095 1640.37743 0.000578369
1729 1783.42237 1639.7321 0.000578369
1694 1785.5971 1639.09984 0.0005903188
1678 1789.08874 1638.48071 0.0005959476
1724 1793.91972 1637.87477 0.0005800464
1765 1800.08507 1637.28205 0.0005665722
1737 1807.55687 1636.70263 0.0005757052
1725 1816.28966 1636.13654 0.0005797101
1766 1826.22529 1635.58384 0.0005662514
1775 1837.29764 1635.04458 0.0005633803
1761 1849.43637 1634.51881 0.0005678592
1807 1862.56921 1634.0066 0.0005534034
1791 1876.62353 1633.50797 0.0005583473
1823 1891.52553 1633.023 0.0005485464
1801 1907.19873 1632.55173 0.0005552471
1751 1923.5611 1632.09422 0.0005711022
1745 1940.5212 1631.65051 0.0005730659
1701 1957.97423 1631.22067 0.0005878895
1722 1975.79737 1630.80473 0.0005807201
1720 1993.84689 1630.40276 0.0005813953
1721 2011.95541 1630.0148 0.0005810575
1732 2029.93046 1629.64091 0.0005773672
1785 2047.55588 1629.28115 0.0005602241
1723 2064.59401 1628.93556 0.0005803831
1690 2080.7905 1628.60419 0.000591716
1655 2095.88012 1628.2871 0.0006042296
1734 2109.59561 1627.98434 0.0005767013
1721 2121.67578 1627.69597 0.0005810575
1747 2131.87477 1627.42203 0.0005724098
1777 2139.97246 1627.16259 0.0005627462
1800 2145.78267 1626.91768 0.0005555556
1790 2149.16083 1626.68737 0.0005586592
1854 2150.01075 1626.4717 0.0005393743
1929 2148.28818 1626.27074 0.0005184033
2025 2144.00392 1626.08452 0.0004938272
2075 2137.22313 1625.91312 0.0004819277
2124 2128.06337 1625.75657 0.0004708098
2117 2116.69117 1625.61493 0.0004723666
2143 2103.31604 1625.48825 0.0004666356
2186 2088.18374 1625.37659 0.0004574565
2170 2071.56899 1625.28001 0.0004608295
2120 2053.76736 1625.19854 0.0004716981
2125 2035.08766 1625.13225 0.0004705882
2117 2015.84437 1625.08119 0.0004723666
2041 1996.35081 1625.04541 0.0004899559
2071 1976.91364 1625.02496 0.0004828585
1992 1957.82778 1625.0199 0.000502008
1898 1939.37277 1625.03028 0.0005268704
1899 1921.81003 1625.05616 0.0005265929
1898 1905.38107 1625.09758 0.0005268704
1908 1890.30637 1625.1546 0.000524109
1891 1876.78506 1625.22728 0.0005288207
1851 1864.9947 1625.31566 0.0005402485
1847 1855.09147 1625.4198 0.0005414185
1805 1847.21042 1625.53975 0.0005540166
1825 1841.46577 1625.67557 0.0005479452
1835 1837.95073 1625.82731 0.0005449591
1827 1836.73748 1625.99502 0.0005473454
1806 1837.87683 1626.17876 0.0005537099
1787 1841.3976 1626.37858 0.0005595971
1865 1847.30584 1626.59453 0.000536193
1812 1855.58411 1626.82666 0.0005518764
1811 1866.19038 1627.07504 0.0005521811
1849 1879.05721 1627.3397 0.0005408329
1926 1894.09093 1627.62072 0.0005192108
1951 1911.17102 1627.91813 0.0005125577
1974 1930.14963 1628.232 0.0005065856
2022 1950.85193 1628.56237 0.0004945598
2096 1973.07651 1628.9093 0.0004770992
2147 1996.59703 1629.27285 0.0004657662
2173 2021.16409 1629.65306 0.0004601933
2225 2046.5086 1630.05 0.0004494382
2153 2072.34605 1630.46371 0.0004644682
2257 2098.3816 1630.89424 0.000443066
2213 2124.31648 1631.34166 0.0004518753
2232 2149.8552 1631.80602 0.0004480287
2167 2174.71335 1632.28736 0.0004614675
2153 2198.6251 1632.78575 0.0004644682
2142 2221.35213 1633.30123 0.0004668534
2106 2242.69053 1633.83386 0.0004748338
2138 2262.47613 1634.3837 0.0004677268
2171 2280.58989 1634.95079 0.0004606172
2127 2296.95954 1635.5352 0.0004701457
2124 2311.55942 1636.13697 0.0004708098
2095 2324.40765 1636.75616 0.000477327
2135 2335.56031 1637.39282 0.0004683841
2173 2345.10366 1638.04701 0.0004601933
2130 2353.14329 1638.71878 0.0004694836
2119 2359.79348 1639.40818 0.0004719207
2098 2365.16486 1640.11527 0.0004766444
2112 2369.35175 1640.84011 0.0004734848
2072 2372.42298 1641.58274 0.0004826255
1989 2374.41125 1642.34322 0.0005027652
1982 2375.30877 1643.1216 0.0005045409
1987 2375.064 1643.91794 0.0005032713
2002 2373.58224 1644.7323 0.0004995005
2037 2370.73098 1645.56472 0.000490918
2064 2366.34724 1646.41526 0.0004844961
2146 2360.24923 1647.28397 0.0004659832
2082 2352.24894 1648.17091 0.0004803074
2155 2342.16678 1649.07614 0.0004640371
2179 2329.84639 1649.99969 0.0004589261
2231 2315.16863 1650.94164 0.0004482295
2294 2298.06361 1651.90204 0.0004359198
2299 2278.52051 1652.88093 0.0004349717
2363 2256.59412 1653.87837 0.0004231909
2351 0 0 0.0004253509
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_A2
_database_code_depnum_ccdc_archive 'CCDC 1527303'
_audit_update_record             
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_pd_block_id                     2016-12-22T16:00|A2|Uribe-Romo|MiniFlex600
_audit_creation_method           'created in GSAS-II'
_audit_creation_date             2016-12-22T16:00

#=============================================================================
# 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           2016-12-22T16:00
_pd_calc_method                  'Rietveld Refinement'
_computing_structure_refinement  
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_refine_ls_number_parameters     56
_refine_ls_goodness_of_fit_all   13.399

# OVERALL WEIGHTED R-FACTOR
_refine_ls_wR_factor_obs         0.20323
_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        MIL-125-NHBu
_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_diffrn    ?
_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 MIL-125-NHBu_1 follows
_pd_phase_name                   MIL-125-NHBu_1
_cell_length_a                   18.70(4)
_cell_length_b                   18.70(4)
_cell_length_c                   18.21(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6.37(4) #e3
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-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
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.08(8) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso 0.2(13) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.20(29) 32
C4 C 0.30217 0.93329 0.69222 0.130 Uiso 0.2(7) 32
C5 C 0.58820 0.82561 0.43721 0.130 Uiso 2(10) 32
C6 C 0.37916 0.88802 0.85220 0.130 Uiso 1.2(31) 32
C7 C 0.31342 0.06390 0.86465 0.130 Uiso 3(12) 32
C8 C 0.33560 0.18912 0.59104 0.130 Uiso 3(11) 32
C9 C 0.44549 0.27917 0.80382 0.130 Uiso 2(9) 32
C10 C 0.51446 0.26672 0.75940 0.130 Uiso -0.67(29) 32
C11 C 0.50870 0.31859 0.69396 0.130 Uiso -0.37(23) 32
C12 C 0.64389 0.26613 0.61229 0.130 Uiso 0.4(11) 32
C13 C 0.63564 0.29493 0.69121 0.130 Uiso 2(6) 32
C14 C 0.74048 0.60039 0.35300 0.130 Uiso -2.9(5) 32
C15 C 0.67766 0.54728 0.34932 0.130 Uiso 0.9(25) 32
Ti16 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.05(7) 16
O17 O 0.31110 0.05800 0.50000 0.500 Uiso -1.05(12) 16
C18 C 0.46333 0.06514 0.50000 0.500 Uiso -1.38(22) 16
N19 N 0.42348 0.12294 0.50000 0.130 Uiso 0.5(23) 16
O20 O 0.230(4) 0.00000 0.427(4) 1.10(17) Uiso -0.042 16
O21 O 0.090(3) 0.09048 0.50000 1.32(22) Uiso -0.042 8
C22 C 0.432(14) 0.00000 0.50000 0.68(18) Uiso -0.042 8
C25 C 0.2233(27) 0.22330 0.324(4) 1.77(21) Uiso -0.042 16
O26 O 0.00000 0.00000 0.315(7) 2.55(30) Uiso 0.253 4
O28 O 0.00000 0.215(15) 0.00000 1.14(18) Uiso 0.253 8
O29 O 0.00000 0.50000 0.25000 0.80(28) Uiso 0.253 4

loop_
_atom_type_symbol
_atom_type_number_in_cell
C 95.843
N 10.08
O 90.652
Ti 8

# Note that Z affects _cell_formula_sum and _weight
_cell_formula_units_Z            32
_chemical_formula_sum            'C2.995 N0.315 O2.833 Ti0.25'
_chemical_formula_weight         97.68

# 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
O1 Ti16 1.89983 1_555 1_555 yes
C2 C2 1.42314 1_555 32_555 yes
C2 N3 1.3783 1_555 1_555 yes
C2 C25 1.42(5) 1_555 1_555 yes
N3 C2 1.3783 1_555 1_555 yes
N3 C4 1.3628 1_555 12_656 yes
N3 C6 1.51015 1_555 21_544 yes
C4 N3 1.3628 1_555 10_566 yes
C4 C9 1.54005 1_555 28_556 yes
C4 C10 1.8416 1_555 32_566 yes
C5 C6 1.89675 1_555 18_654 yes
C5 C7 1.41586 1_555 24_554 yes
C5 C8 1.54007 1_555 9_666 yes
C5 N19 1.51039 1_555 3_665 yes
C6 N3 1.51015 1_555 21_555 yes
C6 C5 1.89675 1_555 20_465 yes
C6 C7 1.54011 1_555 7_565 yes
C7 C5 1.41586 1_555 24_445 yes
C7 C6 1.54011 1_555 7_565 yes
C7 C14 1.54011 1_555 17_445 yes
C8 C5 1.54007 1_555 9_666 yes
C8 C12 1.53998 1_555 5_655 yes
C9 C4 1.54005 1_555 26_456 yes
C9 C10 1.54035 1_555 1_555 yes
C9 C10 1.12682 1_555 5_655 yes
C10 C4 1.8416 1_555 32_656 yes
C10 C9 1.54035 1_555 1_555 yes
C10 C9 1.12682 1_555 5_655 yes
C10 C10 0.54091 1_555 5_655 yes
C10 C11 1.54047 1_555 1_555 yes
C10 C11 1.59658 1_555 5_655 yes
C11 C10 1.54047 1_555 1_555 yes
C11 C10 1.59658 1_555 5_655 yes
C11 C15 1.0709 1_555 10_566 yes
C11 C15 1.3124 1_555 16_666 yes
C12 C8 1.53998 1_555 5_655 yes
C12 C13 1.54259 1_555 1_555 yes
C12 C14 1.03769 1_555 10_566 yes
C13 C12 1.54259 1_555 1_555 yes
C13 C13 1.83648 1_555 6_665 yes
C13 C14 1.2335 1_555 10_566 yes
C13 C15 1.88118 1_555 10_566 yes
C14 C7 1.54011 1_555 17_554 yes
C14 C12 1.03769 1_555 12_656 yes
C14 C13 1.2335 1_555 12_656 yes
C14 C15 1.54005 1_555 1_555 yes
C15 C11 1.0709 1_555 12_656 yes
C15 C11 1.3124 1_555 16_666 yes
C15 C13 1.88118 1_555 12_656 yes
C15 C14 1.54005 1_555 1_555 yes
C15 C15 1.76861 1_555 7_565 yes
Ti16 O1 1.89983 1_555 1_555 yes
Ti16 O1 1.89983 1_555 11_556 yes
Ti16 Ti16 2.76812 1_555 7_555 yes
Ti16 O17 1.94587 1_555 1_555 yes
Ti16 O20 1.97(5) 1_555 1_555 yes
Ti16 O20 1.97(5) 1_555 11_556 yes
Ti16 O21 2.23(6) 1_555 1_555 yes
O17 Ti16 1.94587 1_555 1_555 yes
C18 C18 1.37172 1_555 5_655 yes
C18 N19 1.3131 1_555 1_555 yes
C18 C22 1.35(11) 1_555 1_555 yes
N19 C5 1.51039 1_555 3_665 yes
N19 C5 1.51039 1_555 9_666 yes
N19 C18 1.3131 1_555 1_555 yes
O20 Ti16 1.97(5) 1_555 1_555 yes
O20 Ti16 1.97(5) 1_555 7_555 yes
O21 Ti16 2.23(6) 1_555 1_555 yes
O21 Ti16 2.225(9) 1_555 8_555 yes
C22 C18 1.35(11) 1_555 1_555 yes
C22 C18 1.35(11) 1_555 7_555 yes
C25 C2 1.42(5) 1_555 1_555 yes
C25 C2 1.42(5) 1_555 8_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 C2 N3 119.985 32_555 1_555 1_555 yes
C2 C2 C25 124.6(25) 32_555 1_555 1_555 yes
N3 C2 C25 115.3(26) 1_555 1_555 1_555 yes
C2 N3 C4 124.939 1_555 1_555 12_656 yes
C2 N3 C6 139.335 1_555 1_555 21_544 yes
C4 N3 C6 91.669 12_656 1_555 21_544 yes
N3 C4 C9 109.67 10_566 1_555 28_556 yes
C7 C5 C8 87.506 24_554 1_555 9_666 yes
C7 C5 N19 139.706 24_554 1_555 3_665 yes
C8 C5 N19 120.048 9_666 1_555 3_665 yes
N3 C6 C7 114.619 21_555 1_555 7_565 yes
C5 C7 C6 79.712 24_445 1_555 7_565 yes
C5 C7 C14 97.409 24_445 1_555 17_445 yes
C6 C7 C14 115.351 7_565 1_555 17_445 yes
C5 C8 C12 91.188 9_666 1_555 5_655 yes
C4 C9 C10 89.962 26_456 1_555 1_555 yes
C4 C9 C10 85.87 26_456 1_555 5_655 yes
C10 C9 C10 15.209 1_555 1_555 5_655 yes
C9 C10 C9 98.538 1_555 1_555 5_655 yes
C9 C10 C10 33.127 1_555 1_555 5_655 yes
C9 C10 C10 131.665 5_655 1_555 5_655 yes
C9 C10 C11 104.626 1_555 1_555 1_555 yes
C9 C10 C11 118.146 5_655 1_555 1_555 yes
C10 C10 C11 85.99 5_655 1_555 1_555 yes
C10 C11 C15 124.299 1_555 1_555 10_566 yes
C10 C11 C15 123.646 1_555 1_555 16_666 yes
C15 C11 C15 95.281 10_566 1_555 16_666 yes
C8 C12 C13 125.849 5_655 1_555 1_555 yes
C8 C12 C14 103.707 5_655 1_555 10_566 yes
C13 C12 C14 52.817 1_555 1_555 10_566 yes
C12 C13 C14 42.085 1_555 1_555 10_566 yes
C7 C14 C12 111.658 17_554 1_555 12_656 yes
C7 C14 C13 143.358 17_554 1_555 12_656 yes
C12 C14 C13 85.098 12_656 1_555 12_656 yes
C7 C14 C15 113.327 17_554 1_555 1_555 yes
C12 C14 C15 116.189 12_656 1_555 1_555 yes
C13 C14 C15 84.647 12_656 1_555 1_555 yes
C11 C15 C11 10.558 12_656 1_555 16_666 yes
C11 C15 C14 114.625 12_656 1_555 1_555 yes
C11 C15 C14 119.996 16_666 1_555 1_555 yes
O1 Ti16 O1 89.123 1_555 1_555 11_556 yes
O1 Ti16 O17 86.278 1_555 1_555 1_555 yes
O1 Ti16 O17 86.278 11_556 1_555 1_555 yes
O1 Ti16 O20 88.5(15) 1_555 1_555 1_555 yes
O1 Ti16 O20 158.3(25) 11_556 1_555 1_555 yes
O17 Ti16 O20 72.0(25) 1_555 1_555 1_555 yes
O1 Ti16 O20 158.3(25) 1_555 1_555 11_556 yes
O1 Ti16 O20 88.5(15) 11_556 1_555 11_556 yes
O17 Ti16 O20 72.0(25) 1_555 1_555 11_556 yes
O20 Ti16 O20 86(4) 1_555 1_555 11_556 yes
C18 C18 N19 124.584 5_655 1_555 1_555 yes
C18 C18 C22 116(10) 5_655 1_555 1_555 yes
N19 C18 C22 120(10) 1_555 1_555 1_555 yes
C5 N19 C5 98.414 3_665 1_555 9_666 yes
C5 N19 C18 127.346 3_665 1_555 1_555 yes
C5 N19 C18 127.346 9_666 1_555 1_555 yes
Ti16 O20 Ti16 89.5(30) 1_555 1_555 7_555 yes
C18 C22 C18 128(20) 1_555 1_555 7_555 yes
C2 C25 C2 111(5) 1_555 1_555 8_555 yes
_pd_proc_ls_pref_orient_corr     
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = 0.00(29); 
;
_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
    -8(13)e2, 78(6), 5(4)e1, 13(21), 35(4), 0.0649(10), 
  Crystallite size model "isotropic" for MIL-125-NHBu_1 (microns)
  parameters: Size, G/L mix
    1(24), 1.000, 
  Mustrain model "isotropic" for MIL-125-NHBu_1 (10^6^)
    parameters: Mustrain, G/L mix
    1000(8), 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_type           K\a~1,2~
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
_refine_ls_R_F_factor            0.21263
_refine_ls_R_Fsqd_factor         0.32111
_pd_proc_ls_prof_R_factor        0.12135
_pd_proc_ls_prof_wR_factor       0.20323
_gsas_proc_ls_prof_R_B_factor    0.13303
_gsas_proc_ls_prof_wR_B_factor   0.24456
_pd_proc_ls_prof_wR_expected     0.01541 # GOF = 13.18
_diffrn_radiation_probe          x-ray
_diffrn_radiation_polarisn_ratio 0.7(7)
_pd_proc_ls_background_function  
; Background function: "chebyschev" function with 6 terms:
    1.43(7)e3, -7.0(19)e2, 3(4)e2, -1.2(8)e3, 2.8(4)e3, -1.5(7)e3, 
;
_diffrn_ambient_temperature      300
_diffrn_ambient_pressure         100

# STRUCTURE FACTOR TABLE
_reflns_number_total             104
_reflns_limit_h_min              8
_reflns_limit_h_max              8
_reflns_limit_k_min              0
_reflns_limit_k_max              0
_reflns_limit_l_min              2
_reflns_limit_l_max              2
_reflns_d_resolution_low         13.225
_reflns_d_resolution_high        2.264

# POWDER DATA TABLE
_pd_meas_2theta_range_min        3.00000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_inc        0.02000
_pd_proc_2theta_range_min        2.90671
_pd_proc_2theta_range_max        39.88671
_pd_proc_2theta_range_inc        0.02000
_pd_proc_number_of_points        1850

loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
5594 0 0 0
5749 0 0 0
5766 0 0 0
5741 0 0 0
5928 0 0 0
6197 0 0 0
6193 0 0 0
6177 0 0 0
6156 0 0 0
6358 0 0 0
6569 0 0 0
6540 0 0 0
6673 0 0 0
6803 0 0 0
6859 0 0 0
7009 0 0 0
7085 0 0 0
6914 0 0 0
7157 0 0 0
7451 0 0 0
7248 0 0 0
7310 0 0 0
7343 0 0 0
7328 0 0 0
7275 0 0 0
7425 0 0 0
7224 0 0 0
7215 0 0 0
7321 0 0 0
7046 0 0 0
7058 0 0 0
7251 0 0 0
7201 0 0 0
7055 0 0 0
7072 0 0 0
7074 0 0 0
7393 0 0 0
7533 0 0 0
7384 0 0 0
7157 0 0 0
7041 0 0 0
7243 0 0 0
7157 0 0 0
7091 0 0 0
7256 0 0 0
7329 0 0 0
7259 0 0 0
7283 0 0 0
7242 0 0 0
7252 0 0 0
7417 7970.19874 7844.39293 0.000134825
7501 7946.27169 7818.62535 0.000133316
7468 7922.47213 7792.94421 0.000133905
7409 7898.80108 7767.34929 0.000134971
7363 7875.25961 7741.84037 0.000135814
7414 7851.84883 7716.41722 0.00013488
7305 7828.5699 7691.07964 0.000136893
7338 7805.42408 7665.82739 0.000136277
7441 7782.41262 7640.66026 0.000134391
7317 7759.5369 7615.57804 0.000136668
7202 7736.79833 7590.58049 0.00013885
7473 7714.19836 7565.66741 0.000133815
7653 7691.73857 7540.83858 0.000130668
7574 7669.42056 7516.09378 0.000132031
7499 7647.24606 7491.43278 0.000133351
7351 7625.2168 7466.85539 0.000136036
7309 7603.33471 7442.36137 0.000136818
7232 7581.60169 7417.95051 0.000138274
7139 7560.01982 7393.62261 0.000140076
7226 7538.59124 7369.37743 0.000138389
7320 7517.31821 7345.21477 0.000136612
7270 7496.20313 7321.13442 0.000137552
7250 7475.24849 7297.13615 0.000137931
7063 7454.45685 7273.21976 0.000141583
7031 7433.83101 7249.38504 0.000142227
7224 7413.37384 7225.63176 0.000138427
7051 7393.08835 7201.95971 0.000141824
7259 7372.97775 7178.36869 0.00013776
7194 7353.04537 7154.85849 0.000139005
7114 7333.29476 7131.42888 0.000140568
7116 7313.7296 7108.07966 0.000140528
7319 7294.35382 7084.81062 0.000136631
6966 7275.17152 7061.62155 0.000143554
6844 7256.18705 7038.51224 0.000146113
6898 7237.40499 7015.48247 0.00014497
7056 7218.83015 6992.53205 0.000141723
7101 7200.4676 6969.66075 0.000140825
7008 7182.32279 6946.86838 0.000142694
7073 7164.40128 6924.15471 0.000141383
7020 7146.70916 6901.51956 0.00014245
6878 7129.25279 6878.96269 0.000145391
6834 7112.0389 6856.48392 0.000146327
6948 7095.07445 6834.08304 0.000143926
7192 7078.36721 6811.75983 0.000139043
7056 7061.92505 6789.51408 0.000141723
6955 7045.7565 6767.34561 0.000143781
6744 7029.87062 6745.25419 0.00014828
6781 7014.27688 6723.23963 0.000147471
6750 6998.98562 6701.30171 0.000148148
6899 6984.00763 6679.44025 0.000144949
6913 6969.35443 6657.65502 0.000144655
7026 6955.03845 6635.94583 0.000142328
6743 6941.07289 6614.31247 0.000148302
6908 6927.47176 6592.75475 0.00014476
6955 6914.25017 6571.27245 0.000143781
7048 6901.42426 6549.86538 0.000141884
6911 6889.01135 6528.53333 0.000144697
7008 6877.02999 6507.27611 0.000142694
7068 6865.50015 6486.0935 0.000141483
6907 6854.44333 6464.98532 0.000144781
6819 6843.88277 6443.95136 0.000146649
6969 6833.84341 6422.99142 0.000143493
7088 6824.35223 6402.1053 0.000141084
6806 6815.43853 6381.2928 0.000146929
6794 6807.13416 6360.55372 0.000147189
6761 6799.47353 6339.88786 0.000147907
6792 6792.49413 6319.29503 0.000147232
7046 6786.23693 6298.77503 0.000141924
7093 6780.74677 6278.32765 0.000140984
7230 6776.07274 6257.95271 0.000138313
6968 6772.26865 6237.65 0.000143513
7128 6769.39414 6217.41933 0.000140292
7078 6767.51501 6197.2605 0.000141283
7110 6766.70464 6177.17331 0.000140647
7098 6767.04516 6157.15758 0.000140885
7089 6768.6293 6137.2131 0.000141064
7324 6771.56274 6117.33969 0.000136537
7298 6779.59487 6097.53713 0.000137024
7456 6787.4602 6077.80525 0.00013412
7677 6795.31874 6058.14385 0.000130259
7166 6805.16671 6038.55273 0.000139548
7154 6817.25428 6019.0317 0.000139782
7543 6831.89025 5999.58057 0.000132573
7533 6849.45835 5980.19915 0.000132749
7684 6870.43522 5960.88724 0.000130141
7817 6895.41008 5941.64465 0.000127926
7591 6925.10437 5922.47119 0.000131735
8108 6960.38813 5903.36668 0.000123335
8242 7002.29189 5884.33091 0.00012133
8039 7060.9314 5865.36369 0.000124394
7911 7124.35559 5846.46485 0.000126406
7897 7194.0337 5827.63419 0.00012663
8525 7275.96959 5808.87151 0.000117302
8448 7371.82424 5790.17664 0.000118371
8486 7483.26193 5771.54937 0.000117841
8762 7611.87475 5752.98953 0.000114129
8931 7759.0655 5734.49693 0.00011197
9014 7925.85841 5716.07137 0.000110939
9168 8112.63569 5697.71267 0.000109075
9406 8318.92964 5679.42065 0.000106315
9758 8543.58418 5661.19511 0.00010248
9654 8785.55792 5643.03587 0.000103584
9579 9045.14136 5624.94275 0.000104395
9871 9324.7157 5606.91556 0.000101307
10671 9628.18727 5588.95411 0.000093712
10814 9959.12258 5571.05821 0.000092473
11108 10318.50159 5553.2277 0.000090025
10959 10703.24658 5535.46237 0.000091249
11312 11106.66137 5517.76205 0.000088402
11605 11521.44177 5500.12655 0.00008617
12109 11944.30907 5482.55569 0.000082583
12470 12379.24557 5465.04929 0.000080192
13052 12836.40965 5447.60716 0.000076617
13381 13326.90277 5430.22912 0.000074733
13841 13856.54338 5412.91499 0.000072249
14491 14422.2364 5395.66459 0.000069008
14796 15013.37111 5378.47774 0.000067586
15206 15618.58558 5361.35425 0.000065764
15740 16234.64289 5344.29395 0.000063532
16373 16871.05589 5327.29665 0.000061076
17002 17546.11646 5310.36218 0.000058817
17947 18276.59173 5293.49035 0.00005572
18210 19068.09103 5276.68099 0.000054915
19027 19912.62118 5259.93392 0.000052557
19965 20795.81926 5243.24896 0.000050088
21088 21710.3015 5226.62593 0.00004742
21762 22665.66436 5210.06465 0.000045952
23021 23686.27059 5193.56495 0.000043439
24075 24797.75534 5177.12665 0.000041537
25336 26012.95424 5160.74956 0.00003947
27159 27328.62576 5144.43353 0.00003682
28493 28736.46772 5128.17836 0.000035096
29794 30240.02355 5111.98388 0.000033564
31648 31862.19625 5095.84993 0.000031598
33035 33634.95101 5079.77631 0.000030271
36045 35579.73898 5063.76286 0.000027743
37525 37696.50057 5047.80941 0.000026649
41030 39970.17257 5031.91577 0.000024372
43241 42384.90497 5016.08178 0.000023126
46166 44926.73896 5000.30726 0.000021661
48697 47568.48249 4984.59204 0.000020535
51455 50251.9627 4968.93594 0.000019434
54647 52885.36835 4953.3388 0.000018299
57099 55353.28434 4937.80043 0.000017513
59838 57522.47346 4922.32068 0.000016712
61473 59238.29619 4906.89936 0.000016267
62057 60325.17366 4891.5363 0.000016114
61838 60602.24959 4876.23134 0.000016171
60727 59912.71261 4860.98431 0.000016467
58088 58163.40692 4845.79502 0.000017215
54881 55368.21257 4830.66333 0.000018221
51345 51672.88025 4815.58904 0.000019476
46607 47336.0462 4800.572 0.000021456
42149 42668.59306 4785.61204 0.000023725
36962 37964.22941 4770.70898 0.000027055
31360 33453.97384 4755.86266 0.000031888
27066 29293.01887 4741.07291 0.000036947
23354 25568.98591 4726.33957 0.000042819
20195 22317.48783 4711.66246 0.000049517
17228 19537.12932 4697.04142 0.000058045
14871 17201.51416 4682.47628 0.000067245
13231 15268.52661 4667.96687 0.00007558
12116 13687.56971 4653.51304 0.000082535
11138 12405.22826 4639.11461 0.000089783
10464 11369.53003 4624.77142 0.000095566
9570 10532.89894 4610.4833 0.000104493
8921 9853.87857 4596.25009 0.000112095
8630 9297.8356 4582.07162 0.000115875
8396 8836.85666 4567.94773 0.000119104
8092 8449.12195 4553.87826 0.000123579
7576 8117.99785 4539.86304 0.000131996
7183 7831.03665 4525.90191 0.000139218
7106 7579.03197 4511.9947 0.000140726
7054 7355.19919 4498.14126 0.000141764
6710 7154.51378 4484.34142 0.000149031
6416 6973.20639 4470.59503 0.00015586
6327 6808.39318 4456.9019 0.000158053
6357 6657.81612 4443.2619 0.000157307
6318 6519.66253 4429.67485 0.000158278
6058 6392.44537 4416.1406 0.000165071
5988 6274.92054 4402.65898 0.000167001
5908 6166.032 4389.22983 0.000169262
5961 6064.87214 4375.853 0.000167757
5621 5974.7131 4362.52833 0.000177904
5711 5888.81288 4349.25565 0.000175101
5546 5806.57053 4336.03482 0.00018031
5299 5729.45743 4322.86566 0.000188715
5213 5657.00711 4309.74802 0.000191828
5381 5588.80649 4296.68174 0.000185839
5300 5524.4885 4283.66667 0.000188679
5130 5463.7265 4270.70265 0.000194932
5306 5406.35188 4257.78953 0.000188466
5033 5351.92045 4244.92713 0.000198689
5155 5300.19876 4232.11532 0.000193986
5178 5251.03715 4219.35393 0.000193125
4737 5204.24692 4206.64281 0.000211104
4864 5159.65784 4193.9818 0.000205592
4915 5117.11628 4181.37075 0.000203459
4828 5076.48328 4168.8095 0.000207125
4635 5037.63326 4156.2979 0.00021575
4636 5000.45239 4143.83579 0.000215703
4603 4964.83728 4131.42302 0.00021725
4601 4930.69433 4119.05945 0.000217344
4652 4897.93845 4106.7449 0.000214961
4407 4866.49245 4094.47924 0.000226912
4518 4836.28629 4082.2623 0.000221337
4494 4807.25629 4070.09394 0.000222519
4411 4779.34477 4057.97401 0.000226706
4414 4752.49954 4045.90235 0.000226552
4433 4726.67347 4033.87881 0.000225581
4498 4701.82413 4021.90324 0.000222321
4457 4677.91339 4009.97549 0.000224366
4442 4654.90717 3998.09541 0.000225124
4381 4632.77528 3986.26286 0.000228258
4262 4611.49115 3974.47767 0.000234632
4378 4591.03195 3962.7397 0.000228415
4175 4571.37785 3951.0488 0.000239521
4212 4552.51245 3939.40483 0.000237417
4342 4534.4226 3927.80763 0.000230309
4111 4517.09835 3916.25706 0.00024325
4028 4500.53279 3904.75296 0.000248262
4116 4484.72239 3893.2952 0.000242954
4064 4469.66692 3881.88362 0.000246063
4196 4455.36958 3870.51807 0.000238322
4222 4441.83716 3859.19842 0.000236855
4130 4429.08062 3847.9245 0.000242131
4213 4417.11509 3836.69619 0.000237361
4076 4405.96069 3825.51332 0.000245339
4086 4395.64324 3814.37577 0.000244738
4166 4386.19533 3803.28337 0.000240038
4126 4377.65785 3792.23599 0.000242365
4249 4370.08185 3781.23348 0.000235349
4009 4363.53113 3770.27569 0.000249439
4235 4358.08536 3759.36249 0.000236128
4241 4353.84395 3748.49373 0.000235793
4137 4350.93 3737.66927 0.000241721
4253 4349.49495 3726.88896 0.000235128
4293 4349.72289 3716.15265 0.000232937
4081 4351.83371 3705.46022 0.000245038
4256 4356.0869 3694.81151 0.000234962
4389 4362.78079 3684.20639 0.000227842
4233 4372.25409 3673.64471 0.000236239
4361 4384.88344 3663.12632 0.000229305
4416 4401.08076 3652.6511 0.000226449
4225 4421.28919 3642.2189 0.000236686
4260 4445.97646 3631.82958 0.000234742
4408 4475.61814 3621.48299 0.00022686
4423 4510.6735 3611.17901 0.000226091
4526 4551.5426 3600.91748 0.000220946
4580 4598.52 3590.69827 0.000218341
4560 4651.78349 3580.52125 0.000219298
4639 4711.47997 3570.38627 0.000215564
4773 4777.95275 3560.29319 0.000209512
4826 4852.04112 3550.24188 0.000207211
4962 4935.25334 3540.2322 0.000201532
4910 5029.63724 3530.26401 0.000203666
4846 5137.36009 3520.33718 0.000206356
5093 5260.17788 3510.45156 0.000196348
5333 5399.00472 3500.60702 0.000187512
5274 5553.76173 3490.80343 0.000189609
5401 5723.68249 3481.04065 0.000185151
5746 5908.12294 3471.31854 0.000174034
5661 6107.55249 3461.63696 0.000176647
5859 6324.04635 3451.99579 0.000170678
6051 6560.8263 3442.39489 0.000165262
6386 6821.1743 3432.83412 0.000156593
6613 7107.51693 3423.31336 0.000151217
6981 7421.2096 3413.83245 0.000143246
7226 7763.02056 3404.39128 0.000138389
7368 8133.9782 3394.98971 0.000135722
7605 8536.18339 3385.6276 0.000131492
8053 8972.44183 3376.30482 0.000124177
8622 9444.45395 3367.02125 0.000115982
9281 9950.26268 3357.77674 0.000107747
9640 10483.3652 3348.57117 0.000103734
10206 11034.70411 3339.4044 0.000097982
10520 11596.54119 3330.27631 0.000095057
11000 12165.50979 3321.18676 0.000090909
11616 12738.42322 3312.13562 0.000086088
12310 13310.92041 3303.12276 0.000081235
12929 13869.16031 3294.14805 0.000077346
13430 14392.57005 3285.21137 0.00007446
13864 14859.14145 3276.31257 0.000072129
14439 15255.29705 3267.45154 0.000069257
15052 15583.05833 3258.62814 0.000066436
15865 15860.08322 3249.84224 0.000063032
16175 16111.71607 3241.09373 0.000061824
16696 16359.30814 3232.38245 0.000059895
16923 16611.7469 3223.7083 0.000059091
17658 16864.31088 3215.07114 0.000056632
17901 17102.5516 3206.47085 0.000055863
18504 17305.05061 3197.9073 0.000054042
18580 17441.96286 3189.38035 0.000053821
18977 17473.13421 3180.88989 0.000052695
19027 17351.8141 3172.43579 0.000052557
18302 17035.31723 3164.01793 0.000054639
17986 16498.24566 3155.63617 0.000055599
16826 15742.75284 3147.29039 0.000059432
16024 14801.56885 3138.98047 0.000062406
15062 13731.58271 3130.70628 0.000066392
13450 12600.04923 3122.4677 0.000074349
12545 11469.96173 3114.2646 0.000079713
11431 10390.65048 3106.09686 0.000087481
9903 9395.10523 3097.96436 0.00010098
9018 8501.75457 3089.86697 0.000110889
7975 7717.83444 3081.80457 0.000125392
7087 7042.64928 3073.77704 0.000141103
6393 6470.17218 3065.78425 0.000156421
6047 5991.02654 3057.82608 0.000165371
5598 5594.01122 3049.90242 0.000178635
5107 5267.2821 3042.01313 0.00019581
4971 4999.2465 3034.1581 0.000201167
4617 4779.19338 3026.3372 0.000216591
4460 4597.67818 3018.55032 0.000224215
4204 4446.70211 3010.79734 0.000237869
4136 4319.71576 3003.07812 0.000241779
4034 4211.51213 2995.39257 0.000247893
4003 4118.05235 2987.74054 0.000249813
3966 4036.25785 2980.12193 0.000252143
3886 3963.81239 2972.53662 0.000257334
3827 3898.98268 2964.98449 0.000261301
3760 3840.46628 2957.46541 0.000265957
3721 3787.27688 2949.97927 0.000268745
3510 3738.65587 2942.52596 0.0002849
3617 3694.00601 2935.10534 0.000276472
3449 3652.84921 2927.71732 0.000289939
3614 3614.79437 2920.36176 0.000276702
3496 3579.51479 2913.03856 0.000286041
3401 3546.73491 2905.74759 0.000294031
3431 3516.22004 2898.48874 0.00029146
3323 3487.7679 2891.26189 0.000300933
3396 3461.20353 2884.06693 0.000294464
3366 3436.37621 2876.90374 0.000297089
3395 3413.15492 2869.7722 0.000294551
3319 3391.42617 2862.67221 0.000301296
3215 3371.09267 2855.60364 0.000311042
3259 3352.07021 2848.56639 0.000306843
3259 3334.28787 2841.56033 0.000306843
3216 3317.68571 2834.58535 0.000310945
3191 3302.21471 2827.64135 0.000313381
3305 3287.83553 2820.7282 0.000302572
3150 3274.5189 2813.84579 0.00031746
3342 3262.24494 2806.99401 0.000299222
3149 3251.00391 2800.17275 0.000317561
3306 3240.79641 2793.38189 0.00030248
3290 3231.63485 2786.62133 0.000303951
3184 3224.49244 2779.89094 0.00031407
3144 3217.52516 2773.19063 0.000318066
3204 3213.03847 2766.52027 0.00031211
3116 3208.51865 2759.87976 0.000320924
3311 3205.78924 2753.26898 0.000302024
3191 3204.17152 2746.68783 0.000313381
3263 3204.26905 2740.1362 0.000306466
3041 3206.32185 2733.61397 0.000328839
3289 3210.62462 2727.12103 0.000304044
3153 3217.5317 2720.65728 0.000317158
3243 3227.46033 2714.22261 0.000308356
3491 3240.89157 2707.8169 0.000286451
3465 3258.36945 2701.44006 0.0002886
3345 3280.49725 2695.09196 0.000298954
3329 3307.92983 2688.77251 0.000300391
3600 3341.35902 2682.48159 0.000277778
3505 3381.48682 2676.21909 0.000285307
3670 3428.97655 2669.98492 0.00027248
3637 3485.5683 2663.77896 0.000274952
3869 3549.25096 2657.6011 0.000258465
3890 3621.9041 2651.45124 0.000257069
3924 3702.28749 2645.32928 0.000254842
4229 3791.05628 2639.2351 0.000236463
4118 3888.83256 2633.1686 0.000242836
4163 3997.11145 2627.12968 0.000240211
4419 4118.17298 2621.11823 0.000226296
4483 4254.51463 2615.13414 0.000223065
4614 4408.03555 2609.17731 0.000216732
4888 4579.35159 2603.24764 0.000204583
5036 4767.64081 2597.34502 0.00019857
5243 4971.31262 2591.46934 0.00019073
5496 5189.41021 2585.62051 0.000181951
5654 5422.97376 2579.79842 0.000176866
5918 5675.22529 2574.00297 0.000168976
6398 5950.03867 2568.23405 0.000156299
6571 6249.34701 2562.49156 0.000152184
7181 6570.95966 2556.7754 0.000139256
7510 6908.10714 2551.08546 0.000133156
7989 7251.02323 2545.42165 0.000125172
8316 7589.30974 2539.78387 0.00012025
8712 7912.93611 2534.172 0.000114784
9323 8210.68551 2528.58596 0.000107262
9403 8467.41632 2523.02563 0.000106349
9633 8662.97011 2517.49092 0.00010381
9883 8774.457 2511.98173 0.000101184
9711 8781.04452 2506.49796 0.000102976
9201 8669.18586 2501.03951 0.000108684
9035 8436.87659 2495.60628 0.000110681
8622 8095.84999 2490.19816 0.000115982
7815 7670.26001 2484.81507 0.000127959
7135 7191.53786 2479.45689 0.000140154
6312 6691.54104 2474.12354 0.000158428
5722 6197.09664 2468.81492 0.000174764
5120 5727.57719 2463.53092 0.000195313
4599 5295.09723 2458.27144 0.000217439
4058 4905.99858 2453.0364 0.000246427
3894 4562.53163 2447.82569 0.000256805
3585 4263.39467 2442.63922 0.00027894
3304 4007.46954 2437.47689 0.000302663
3218 3791.19636 2432.33859 0.000310752
3236 3609.85616 2427.22425 0.000309023
3026 3458.78433 2422.13375 0.000330469
2956 3311.12193 2417.06701 0.000338295
3022 3195.96791 2412.02393 0.000330907
2874 3109.30339 2407.00441 0.000347947
2766 3036.59225 2402.00836 0.000361533
2793 2975.03709 2397.03568 0.000358038
2769 2922.37065 2392.08628 0.000361141
2627 2876.79154 2387.16006 0.000380662
2722 2836.88972 2382.25693 0.000367377
2649 2801.57168 2377.3768 0.000377501
2634 2769.99323 2372.51957 0.000379651
2630 2741.50252 2367.68515 0.000380228
2494 2715.5939 2362.87345 0.000400962
2481 2691.87211 2358.08436 0.000403063
2532 2670.02471 2353.31781 0.000394945
2494 2649.80165 2348.5737 0.000400962
2523 2631.0001 2343.85193 0.000396354
2588 2617.72979 2339.15241 0.000386399
2489 2601.33969 2334.47506 0.000401768
2544 2588.08517 2329.81978 0.000393082
2536 2573.61451 2325.18647 0.000394322
2545 2559.95829 2320.57506 0.000392927
2507 2547.04245 2315.98544 0.000398883
2429 2534.80266 2311.41753 0.000411692
2320 2523.18273 2306.87123 0.000431034
2436 2512.13339 2302.34646 0.000410509
2333 2501.61151 2297.84313 0.000428633
2422 2491.57916 2293.36115 0.000412882
2252 2482.00308 2288.90042 0.00044405
2377 2472.85414 2284.46087 0.000420698
2169 2464.10694 2280.04239 0.000461042
2321 2455.7394 2275.6449 0.000430849
2336 2447.73258 2271.26832 0.000428082
2447 2440.07038 2266.91256 0.000408664
2271 2432.73945 2262.57752 0.000440335
2283 2425.72905 2258.26312 0.00043802
2211 2419.03112 2253.96927 0.000452284
2347 2412.64024 2249.69589 0.000426076
2233 2406.55382 2245.44289 0.000447828
2310 2400.77238 2241.21018 0.0004329
2276 2395.29992 2236.99767 0.000439367
2271 2390.14451 2232.80528 0.000440335
2351 2385.31895 2228.63293 0.000425351
2320 2380.84188 2224.48052 0.000431034
2402 2376.73877 2220.34798 0.00041632
2274 2373.04329 2216.23521 0.000439754
2283 2369.79864 2212.14214 0.00043802
2198 2367.05894 2208.06867 0.000454959
2262 2364.89027 2204.01473 0.000442087
2223 2363.37156 2199.98022 0.000449843
2322 2362.59502 2195.96506 0.000430663
2287 2362.66658 2191.96918 0.000437254
2241 2363.70651 2187.99249 0.000446229
2329 2365.85022 2184.03489 0.000429369
2219 2369.24868 2180.09632 0.000450653
2282 2374.06628 2176.17669 0.000438212
2303 2380.47444 2172.2759 0.000434216
2257 2388.63904 2168.3939 0.000443066
2285 2398.70167 2164.53058 0.000437637
2163 2410.7588 2160.68587 0.000462321
2260 2424.85131 2156.85968 0.000442478
2175 2440.98481 2153.05195 0.00045977
2359 2459.1965 2149.26257 0.000423908
2155 2479.6528 2145.49148 0.000464037
2299 2502.71813 2141.73859 0.000434972
2279 2528.92938 2138.00382 0.000438789
2199 2558.85771 2134.28709 0.000454752
2322 2592.90276 2130.58832 0.000430663
2283 2631.10068 2126.90743 0.00043802
2210 2673.03325 2123.24434 0.000452489
2276 2717.90859 2119.59898 0.000439367
2364 2764.81612 2115.97125 0.000423012
2320 2813.02268 2112.36109 0.000431034
2313 2862.07423 2108.76842 0.000432339
2331 2911.54883 2105.19315 0.000429
2309 2960.55154 2101.63521 0.000433088
2410 3007.25771 2098.09452 0.000414938
2388 3049.93489 2094.571 0.00041876
2325 3082.89024 2091.06457 0.000430108
2430 3104.25581 2087.57516 0.000411523
2340 3109.89104 2084.10269 0.00042735
2350 3098.15294 2080.64709 0.000425532
2284 3069.76751 2077.20827 0.000437828
2293 3022.28933 2073.78616 0.00043611
2202 2960.98198 2070.38068 0.000454133
2311 2888.5682 2066.99176 0.000432713
2279 2810.84303 2063.61932 0.000438789
2314 2732.42356 2060.26328 0.000432152
2224 2656.93347 2056.92358 0.00044964
2199 2586.8239 2053.60013 0.000454752
2171 2523.4993 2050.29286 0.000460617
2149 2469.25986 2047.0017 0.000465333
2080 2420.7504 2043.72657 0.000480769
2252 2380.15477 2040.46739 0.00044405
2130 2345.19819 2037.2241 0.000469484
2065 2316.00318 2033.99662 0.000484262
2092 2291.80117 2030.78487 0.000478011
2075 2271.83237 2027.58878 0.000481928
2041 2255.38816 2024.40828 0.000489956
2051 2241.8378 2021.2433 0.000487567
1999 2230.64193 2018.09376 0.00050025
2094 2221.35528 2014.95959 0.000477555
2062 2213.6217 2011.84071 0.000484966
2086 2207.16429 2008.73707 0.000479386
1998 2201.7734 2005.64858 0.000500501
2145 2197.29421 2002.57517 0.0004662
2034 2193.61526 1999.51677 0.000491642
2063 2190.65891 1996.47331 0.000484731
2122 2188.37349 1993.44472 0.000471254
2091 2186.72757 1990.43093 0.00047824
2026 2185.7061 1987.43186 0.000493583
2085 2185.30786 1984.44745 0.000479616
2103 2185.54432 1981.47763 0.000475511
2107 2186.43964 1978.52233 0.000474608
2028 2188.03169 1975.58147 0.000493097
2030 2190.37414 1972.65499 0.000492611
2113 2193.53953 1969.74282 0.000473261
2185 2197.62332 1966.84489 0.000457666
2140 2202.74882 1963.96113 0.00046729
2127 2209.07287 1961.09148 0.000470146
2127 2216.79189 1958.23585 0.000470146
2258 2226.14763 1955.39419 0.00044287
2159 2237.43259 1952.56643 0.000463177
2105 2250.99394 1949.7525 0.000475059
2152 2267.23603 1946.95233 0.000464684
2203 2286.62073 1944.16585 0.000453926
2258 2309.66604 1941.39301 0.00044287
2277 2336.94251 1938.63372 0.000439174
2320 2369.0659 1935.88793 0.000431034
2240 2406.68406 1933.15556 0.000446429
2475 2450.45188 1930.43656 0.00040404
2345 2500.98792 1927.73085 0.000426439
2508 2558.80977 1925.03836 0.000398724
2527 2624.26133 1922.35905 0.000395726
2531 2697.47449 1919.69283 0.000395101
2698 2778.43402 1917.03964 0.000370645
2743 2871.1639 1914.39942 0.000364564
2735 2968.19253 1911.77211 0.000365631
2877 3074.54565 1909.15763 0.000347584
3077 3193.99307 1906.55592 0.000324992
3059 3324.67586 1903.96693 0.000326904
3323 3468.36305 1901.39058 0.000300933
3464 3629.58814 1898.82681 0.000288684
3620 3803.90926 1896.27556 0.000276243
3838 3989.45248 1893.73676 0.000260552
4011 4179.26204 1891.21036 0.000249314
4155 4366.20373 1888.69629 0.000240674
4374 4543.1257 1886.19448 0.000228624
4660 4703.56816 1883.70487 0.000214592
4802 4841.62337 1881.2274 0.000208247
5114 4951.22138 1878.76202 0.000195542
5045 5025.76328 1876.30865 0.000198216
5268 5058.97381 1873.86723 0.000189825
5151 5046.96944 1871.43771 0.000194137
5000 4990.53419 1869.02002 0.0002
4868 4891.41376 1866.6141 0.000205423
4773 4768.77379 1864.21989 0.000209512
4527 4637.2365 1861.83733 0.000220897
4353 4508.83506 1859.46636 0.000229727
3959 4395.41819 1857.10692 0.000252589
3980 4304.65481 1854.75894 0.000251256
3972 4239.53277 1852.42237 0.000251762
3735 4200.80291 1850.09716 0.000267738
3764 4179.55991 1847.78323 0.000265675
3778 4171.37915 1845.48053 0.00026469
3819 4170.50213 1843.189 0.000261849
3823 4168.48317 1840.90858 0.000261575
3841 4160.27759 1838.63921 0.000260349
3947 4139.29889 1836.38084 0.000253357
3773 4098.4289 1834.13341 0.000265041
3860 4031.38919 1831.89685 0.000259067
3672 3935.0099 1829.67111 0.000272331
3661 3810.8588 1827.45614 0.000273149
3608 3665.06555 1825.25187 0.000277162
3573 3506.49929 1823.05824 0.000279877
3463 3344.41386 1820.87521 0.000288767
3219 3186.64817 1818.70271 0.000310655
2950 3038.82975 1816.54068 0.000338983
2936 2904.39823 1814.38908 0.000340599
2696 2785.02729 1812.24784 0.00037092
2595 2681.11607 1810.1169 0.000385356
2455 2592.20549 1807.99622 0.000407332
2433 2517.2889 1805.88573 0.000411015
2409 2455.0387 1803.78539 0.00041511
2223 2403.97584 1801.69512 0.000449843
2284 2362.59636 1799.61489 0.000437828
2187 2329.46445 1797.54463 0.000457247
2141 2303.27656 1795.48429 0.000467071
2143 2282.8992 1793.43381 0.000466636
2068 2267.38509 1791.39315 0.000483559
2136 2255.9732 1789.36224 0.000468165
2115 2248.07415 1787.34103 0.000472813
2071 2243.25656 1785.32947 0.000482859
2074 2241.22234 1783.32751 0.00048216
2103 2241.79391 1781.33508 0.000475511
1994 2244.88701 1779.35215 0.000501505
2141 2251.25343 1777.37864 0.000467071
2151 2259.53825 1775.41452 0.0004649
2202 2271.02686 1773.45973 0.000454133
2279 2285.28885 1771.51422 0.000438789
2237 2303.09017 1769.57793 0.000447027
2289 2324.95777 1767.65081 0.000436872
2342 2351.55629 1765.73281 0.000426985
2361 2383.70395 1763.82388 0.000423549
2453 2422.37669 1761.92397 0.000407664
2433 2468.73718 1760.03302 0.000411015
2569 2524.12797 1758.15099 0.000389257
2622 2590.07013 1756.27782 0.000381388
2687 2668.39996 1754.41346 0.000372162
2783 2760.77972 1752.55786 0.000359324
2942 2869.39776 1750.71098 0.000339905
3095 2996.20127 1748.87275 0.000323102
3178 3143.17299 1747.04314 0.000314663
3342 3311.88008 1745.22209 0.000299222
3359 3503.27361 1743.40954 0.000297708
3739 3717.59603 1741.60546 0.000267451
3734 3954.68192 1739.8098 0.000267809
4022 4214.65576 1738.02249 0.000248633
4246 4498.91181 1736.2435 0.000235516
4416 4810.1759 1734.47278 0.000226449
4862 5151.75067 1732.71027 0.000205677
5248 5525.40682 1730.95593 0.000190549
5480 5928.85589 1729.20971 0.000182482
5922 6353.66032 1727.47156 0.000168862
6226 6784.75124 1725.74143 0.000160617
6511 7201.92786 1724.01929 0.000153586
7034 7583.42439 1722.30507 0.000142167
7530 7908.84883 1720.59873 0.000132802
7767 8159.79845 1718.90023 0.00012875
7986 8318.34227 1717.20951 0.000125219
8099 8366.37109 1715.52654 0.000123472
8129 8288.72865 1713.85126 0.000123016
7949 8079.58018 1712.18362 0.000125802
7759 7747.76719 1710.52359 0.000128883
7128 7317.05624 1708.87111 0.000140292
6705 6820.94258 1707.22615 0.000149142
6302 6295.00782 1705.58864 0.00015868
5719 5770.40561 1703.95856 0.000174856
5099 5270.43391 1702.33584 0.000196117
4467 4810.12078 1700.72046 0.000223864
3958 4397.53086 1699.11236 0.000252653
3668 4035.58864 1697.51149 0.000272628
3298 3723.63602 1695.91782 0.000303214
3067 3458.80532 1694.33129 0.000326052
2815 3236.81039 1692.75188 0.00035524
2623 3052.64321 1691.17952 0.000381243
2524 2901.09388 1689.61417 0.000396197
2373 2777.09482 1688.0558 0.000421408
2356 2675.94797 1686.50436 0.000424448
2325 2593.64454 1684.9598 0.000430108
2247 2526.31268 1683.42209 0.000445038
2182 2471.16687 1681.89117 0.000458295
2219 2425.91595 1680.36701 0.000450653
2191 2388.54417 1678.84957 0.000456413
2163 2357.69619 1677.33879 0.000462321
2165 2330.25981 1675.83464 0.000461894
2189 2309.52926 1674.33708 0.00045683
2185 2291.85482 1672.84607 0.000457666
2151 2278.8671 1671.36155 0.0004649
2140 2269.26945 1669.8835 0.00046729
2083 2262.90209 1668.41186 0.000480077
2141 2259.69575 1666.94661 0.000467071
2225 2259.67073 1665.48769 0.000449438
2277 2262.86573 1664.03506 0.000439174
2243 2269.6082 1662.58869 0.000445831
2207 2280.08076 1661.14854 0.000453104
2265 2294.73876 1659.71455 0.000441501
2342 2314.04298 1658.28671 0.000426985
2336 2338.61158 1656.86495 0.000428082
2292 2369.19401 1655.44925 0.0004363
2416 2406.68084 1654.03956 0.000413907
2462 2452.10746 1652.63584 0.000406174
2471 2507.80517 1651.23806 0.000404694
2626 2572.75991 1649.84617 0.000380807
2660 2649.47728 1648.46014 0.00037594
2720 2739.90037 1647.07992 0.000367647
2852 2844.17864 1645.70548 0.000350631
2945 2964.11671 1644.33678 0.000339559
3073 3100.94016 1642.97378 0.000325415
3340 3255.98946 1641.61645 0.000299401
3398 3430.74848 1640.26473 0.000294291
3620 3626.63624 1638.91861 0.000276243
3787 3844.56007 1637.57803 0.000264061
4059 4084.41801 1636.24296 0.000246366
4239 4344.78555 1634.91337 0.000235905
4586 4622.9285 1633.58921 0.000218055
4882 4915.07252 1632.27045 0.000204834
5173 5216.63459 1630.95705 0.000193311
5609 5521.99937 1629.64898 0.000178285
5987 5823.73657 1628.34619 0.000167029
6429 6111.9316 1627.04866 0.000155545
6935 6374.77763 1625.75634 0.000144196
7266 6600.84848 1624.4692 0.000137627
7701 6781.89579 1623.1872 0.000129853
8042 6914.22537 1621.91031 0.000124347
8420 6997.87855 1620.63849 0.000118765
8617 7034.76375 1619.37171 0.00011605
8713 7027.40595 1618.10992 0.000114771
8807 6978.89335 1616.85311 0.000113546
8548 6893.30052 1615.60122 0.000116986
8467 6775.72898 1614.35422 0.000118106
8063 6631.68593 1613.11209 0.000124023
7718 6465.87156 1611.87478 0.000129567
7257 6280.7471 1610.64227 0.000137798
6936 6075.79519 1609.41451 0.000144175
6512 5848.40822 1608.19147 0.000153563
6170 5596.39707 1606.97313 0.000162075
5707 5320.77666 1605.75944 0.000175223
5337 5027.12755 1604.55037 0.000187371
5005 4724.87912 1603.34588 0.0001998
4713 4425.15313 1602.14595 0.000212179
4439 4138.36113 1600.95055 0.000225276
4117 3872.52595 1599.75963 0.000242895
3864 3632.68882 1598.57317 0.000258799
3473 3422.70441 1597.39113 0.000287936
3253 3239.81579 1596.21348 0.000307409
3179 3084.45398 1595.04019 0.000314564
2926 2955.49906 1593.87122 0.000341763
2756 2849.14544 1592.70655 0.000362845
2648 2763.74241 1591.54614 0.000377644
2548 2696.95762 1590.38995 0.000392465
2534 2646.67665 1589.23797 0.000394633
2470 2611.10549 1588.09015 0.000404858
2453 2588.84302 1586.94647 0.000407664
2455 2578.9283 1585.80689 0.000407332
2484 2580.86652 1584.67139 0.000402576
2450 2594.63701 1583.53993 0.000408163
2476 2620.68748 1582.41248 0.000403877
2562 2659.91652 1581.28901 0.00039032
2583 2713.64505 1580.16949 0.000387147
2737 2783.58002 1579.05389 0.000365364
2725 2871.76448 1577.94218 0.000366972
2831 2980.5123 1576.83433 0.000353232
2876 3112.30958 1575.73031 0.000347705
2998 3269.65567 1574.63009 0.000333556
3141 3454.80154 1573.53364 0.00031837
3177 3669.33736 1572.44094 0.000314762
3385 3913.60982 1571.35194 0.000295421
3485 4186.07522 1570.26663 0.000286944
3687 4482.89559 1569.18498 0.000271223
3919 4798.28242 1568.10695 0.000255167
4183 5125.91858 1567.03251 0.000239063
4544 5461.018 1565.96165 0.00022007
4922 5801.73359 1564.89432 0.000203169
5281 6148.64004 1563.83051 0.000189358
5681 6502.05816 1562.77018 0.000176025
6267 6857.94333 1561.71331 0.000159566
7010 7203.71458 1560.65986 0.000142653
7570 7515.78439 1559.60982 0.0001321
8238 7761.12513 1558.56315 0.000121389
8710 7904.09723 1557.51982 0.000114811
9377 7917.08192 1556.47982 0.000106644
9975 7789.97596 1555.4431 0.000100251
10070 7533.63714 1554.40965 0.000099305
10085 7176.2029 1553.37944 0.000099157
9748 6754.7388 1552.35244 0.000102585
9211 6308.03389 1551.32862 0.000108566
8427 5868.55605 1550.30796 0.000118666
7407 5460.09758 1549.29043 0.000135007
6298 5098.91611 1548.27602 0.000158781
5404 4794.49966 1547.26468 0.000185048
4681 4550.71528 1546.25639 0.00021363
4116 4368.39442 1545.25114 0.000242954
3822 4245.4038 1544.24888 0.000261643
3737 4177.3402 1543.24961 0.000267594
3757 4157.87932 1542.25329 0.00026617
3787 4179.30334 1541.25989 0.000264061
3951 4233.45057 1540.2694 0.0002531
4145 4312.98064 1539.28179 0.000241255
4298 4412.35204 1538.29703 0.000232666
4588 4527.8035 1537.3151 0.00021796
4859 4656.11546 1536.33598 0.000205804
5028 4792.50187 1535.35963 0.000198886
5221 4928.95499 1534.38604 0.000191534
5515 5050.40448 1533.41519 0.000181324
5676 5139.11864 1532.44704 0.00017618
5858 5176.12524 1531.48158 0.000170707
6004 5146.07446 1530.51878 0.000166556
6172 5043.83882 1529.55861 0.000162022
6210 4874.84097 1528.60106 0.000161031
6234 4653.30561 1527.64611 0.000160411
6091 4398.10213 1526.69372 0.000164177
5911 4128.36487 1525.74388 0.000169176
5619 3860.30238 1524.79656 0.000177968
5335 3605.7755 1523.85174 0.000187441
5031 3372.35291 1522.90939 0.000198768
4730 3164.1312 1521.96951 0.000211416
4339 2982.70854 1521.03206 0.000230468
3954 2828.01372 1520.09701 0.000252908
3615 2698.92527 1519.16436 0.000276625
3421 2593.71468 1518.23408 0.000292312
3138 2510.36401 1517.30614 0.000318674
2911 2446.79681 1516.38052 0.000343525
2707 2401.03788 1515.45721 0.000369413
2534 2371.30966 1514.53618 0.000394633
2507 2356.06506 1513.61741 0.000398883
2498 2353.95527 1512.70088 0.00040032
2365 2363.73351 1511.78657 0.000422833
2290 2384.11475 1510.87446 0.000436681
2284 2413.64018 1509.96452 0.000437828
2312 2451.45509 1509.05674 0.000432526
2273 2494.1734 1508.1511 0.000439947
2193 2541.25323 1507.24757 0.000455996
2215 2591.67283 1506.34614 0.000451467
2254 2644.18782 1505.44679 0.000443656
2202 2698.71901 1504.54949 0.000454133
2214 2753.83261 1503.65423 0.000451671
2214 2806.95034 1502.76098 0.000451671
2212 2853.57198 1501.86974 0.00045208
2230 2887.7227 1500.98047 0.00044843
2244 2903.27324 1500.09316 0.000445633
2257 2895.80758 1499.20779 0.000443066
2243 2864.53011 1498.32434 0.000445831
2229 2810.84806 1497.44279 0.000448632
2178 2740.20625 1496.56313 0.000459137
2144 2659.19871 1495.68533 0.000466418
2171 2573.73335 1494.80938 0.000460617
2062 2489.30752 1493.93525 0.000484966
2009 2409.62135 1493.06294 0.00049776
1966 2336.75681 1492.19241 0.000508647
1983 2271.37493 1491.32366 0.000504286
1949 2213.43624 1490.45667 0.000513084
1936 2161.11305 1489.59141 0.000516529
2019 2113.51157 1488.72788 0.000495295
2042 2069.75126 1487.86605 0.000489716
2025 2028.7984 1487.0059 0.000493827
2037 1990.60336 1486.14742 0.000490918
2049 1955.22263 1485.2906 0.000488043
2055 1922.3025 1484.43541 0.000486618
2119 1893.04909 1483.58183 0.000471921
2176 1866.22742 1482.72986 0.000459559
2219 1843.19659 1481.87947 0.000450653
2234 1822.78321 1481.03065 0.000447628
2270 1805.4485 1480.18338 0.000440529
2268 1790.18351 1479.33764 0.000440917
2200 1777.00143 1478.49343 0.000454545
2206 1765.8325 1477.65071 0.000453309
2206 1756.26958 1476.80949 0.000453309
2231 1748.32343 1475.96973 0.000448229
2210 1741.90852 1475.13143 0.000452489
2241 1736.96436 1474.29457 0.000446229
2213 1733.45467 1473.45914 0.000451875
2108 1731.36927 1472.62511 0.000474383
2038 1730.72747 1471.79248 0.000490677
1956 1731.58119 1470.96123 0.000511247
1838 1734.01687 1470.13134 0.00054407
1844 1738.15577 1469.3028 0.000542299
1888 1743.48842 1468.47559 0.000529661
1805 1751.5315 1467.64971 0.000554017
1751 1761.48864 1466.82513 0.000571102
1758 1774.23649 1466.00184 0.000568828
1791 1789.63484 1465.17982 0.000558347
1776 1807.83258 1464.35907 0.000563063
1733 1828.90549 1463.53957 0.000577034
1765 1852.84493 1462.7213 0.000566572
1760 1879.5782 1461.90425 0.000568182
1726 1909.01451 1461.08841 0.000579374
1769 1941.07489 1460.27377 0.000565291
1760 1975.65453 1459.4603 0.000568182
1743 2012.50718 1458.648 0.000573723
1706 2051.10226 1457.83685 0.000586166
1759 2090.54105 1457.02684 0.000568505
1759 2129.61422 1456.21796 0.000568505
1742 2167.03012 1455.41019 0.000574053
1766 2201.7451 1454.60352 0.000566251
1795 2233.22603 1453.79795 0.000557103
1775 2261.47974 1452.99344 0.00056338
1802 2286.84378 1452.19 0.000554939
1812 2309.73003 1451.38762 0.000551876
1822 2330.55808 1450.58627 0.000548847
1838 2349.95784 1449.78594 0.00054407
1833 2369.08759 1448.98663 0.000545554
1853 2389.79536 1448.18833 0.000539665
1916 2414.47981 1447.39101 0.000521921
1892 2445.6958 1446.59468 0.000528541
1861 2485.6324 1445.79931 0.000537346
1908 2535.6091 1445.00489 0.000524109
1944 2595.76459 1444.21142 0.000514403
1925 2665.0969 1443.41889 0.000519481
1959 2741.88516 1442.62727 0.000510465
2010 2824.2758 1441.83657 0.000497512
2058 2910.61011 1441.04677 0.000485909
2097 2999.16165 1440.25785 0.000476872
2170 3087.31341 1439.46981 0.000460829
2264 3170.55125 1438.68264 0.000441696
2294 3241.86869 1437.89633 0.00043592
2310 3292.28223 1437.11086 0.0004329
2287 3312.79018 1436.32623 0.000437254
2270 3297.12815 1435.54243 0.000440529
2333 3243.86047 1434.75944 0.000428633
2420 3156.74282 1433.97726 0.000413223
2396 3043.50505 1433.19587 0.000417362
2345 2913.86954 1432.41527 0.000426439
2300 2777.54215 1431.63544 0.000434783
2286 2642.72889 1430.85638 0.000437445
2262 2515.34821 1430.07807 0.000442087
2147 2399.1598 1429.30052 0.000465766
2070 2296.11101 1428.5237 0.000483092
2014 2206.82936 1427.74761 0.000496524
1991 2131.11739 1426.97224 0.00050226
1969 2068.25795 1426.19758 0.000507872
1930 2017.25461 1425.42362 0.000518135
1903 1977.00031 1424.65035 0.000525486
1925 1946.40707 1423.87777 0.000519481
1914 1924.49363 1423.10587 0.000522466
1925 1910.45276 1422.33463 0.000519481
1954 1903.6952 1421.56404 0.000511771
1925 1903.87657 1420.79411 0.000519481
1944 1910.90868 1420.02482 0.000514403
2023 1924.95886 1419.25617 0.000494315
2054 1944.04402 1418.48814 0.000486855
2064 1973.60863 1417.72072 0.000484496
2129 2010.87253 1416.95392 0.000469704
2153 2059.21712 1416.18771 0.000464468
2241 2118.4814 1415.42211 0.000446229
2365 2189.66327 1414.65708 0.000422833
2382 2273.53265 1413.89264 0.000419815
2483 2370.38634 1413.12877 0.000402739
2646 2479.76836 1412.36546 0.000377929
2750 2600.26497 1411.60271 0.000363636
2915 2729.54185 1410.84051 0.000343053
3063 2864.73643 1410.07886 0.000326477
3142 3003.03888 1409.31773 0.000318269
3260 3142.19844 1408.55714 0.000306748
3398 3279.25574 1407.79707 0.000294291
3568 3410.70964 1407.03752 0.000280269
3756 3530.41701 1406.27847 0.000266241
3855 3629.32462 1405.51993 0.000259403
3911 3695.98695 1404.76189 0.000255689
4002 3719.9326 1404.00433 0.000249875
4075 3694.67074 1403.24726 0.000245399
4142 3620.02986 1402.49067 0.000241429
4083 3502.1368 1401.73454 0.000244918
3979 3351.64108 1400.97889 0.000251319
3849 3181.23313 1400.22369 0.000259808
3618 3003.23373 1399.46895 0.000276396
3478 2827.83023 1398.71465 0.000287522
3304 2662.60066 1397.9608 0.000302663
3057 2511.36462 1397.20739 0.000327118
2861 2376.59534 1396.45441 0.000349528
2633 2258.84816 1395.70185 0.000379795
2481 2157.78248 1394.94972 0.000403063
2344 2071.95392 1394.198 0.000426621
2180 2000.03391 1393.4467 0.000458716
2149 1940.3924 1392.6958 0.000465333
2122 1891.3933 1391.9453 0.000471254
2104 1851.49229 1391.1952 0.000475285
2123 1819.30177 1390.44549 0.000471032
2113 1793.629 1389.69617 0.000473261
2098 1773.4927 1388.94723 0.000476644
2123 1758.12376 1388.19867 0.000471032
2155 1746.95423 1387.45049 0.000464037
2273 1739.59934 1386.70267 0.000439947
2412 1735.83627 1385.95522 0.000414594
2506 1735.58172 1385.20813 0.000399042
2582 1738.869 1384.4614 0.000387297
2642 1745.82564 1383.71502 0.000378501
2750 1756.64102 1382.96899 0.000363636
2895 1771.54051 1382.22331 0.000345423
2925 1790.73352 1381.47797 0.00034188
2970 1814.35333 1380.73297 0.0003367
3067 1842.37975 1379.9883 0.000326052
3117 1874.57611 1379.24397 0.000320821
3108 1910.46635 1378.49996 0.00032175
3009 1949.40273 1377.75628 0.000332336
2915 1990.70684 1377.01292 0.000343053
2795 2033.78194 1376.26987 0.000357782
2704 2078.06349 1375.52715 0.000369822
2619 2122.77851 1374.78473 0.000381825
2615 2166.63234 1374.04263 0.000382409
2689 2207.64375 1373.30083 0.000371885
2688 2242.72835 1372.55933 0.000372024
2713 2270.86399 1371.81814 0.000368596
2765 2290.18739 1371.07725 0.000361664
2798 2300.7546 1370.33665 0.000357398
2835 2305.11865 1369.59635 0.000352734
2842 2305.94312 1368.85633 0.000351865
2833 2305.60805 1368.11661 0.000352983
2767 2308.89343 1367.37717 0.000361402
2706 2316.41476 1366.63802 0.000369549
2663 2330.03771 1365.89916 0.000375516
2706 2349.33259 1365.16057 0.000369549
2675 2373.74928 1364.42226 0.000373832
2634 2402.26987 1363.68423 0.000379651
2582 2433.22107 1362.94647 0.000387297
2576 2463.92604 1362.20899 0.000388199
2524 2489.58574 1361.47178 0.000396197
2455 2507.44607 1360.73484 0.000407332
2377 2511.6274 1359.99817 0.000420698
2306 2500.18425 1359.26177 0.000433651
2207 2472.19 1358.52563 0.000453104
2046 2430.64024 1357.78976 0.000488759
2011 2377.60787 1357.05415 0.000497265
2005 2318.96445 1356.31881 0.000498753
1978 2260.23329 1355.58373 0.000505561
1977 2204.9423 1354.8489 0.000505817
1973 2157.0267 1354.11434 0.000506842
1839 2118.94323 1353.38004 0.000543774
1811 2092.31687 1352.646 0.000552181
1842 2078.34245 1351.91221 0.000542888
1853 2077.38359 1351.17869 0.000539665
1803 2090.0103 1350.44541 0.000554631
1813 2116.43927 1349.7124 0.000551572
1869 2156.72124 1348.97964 0.000535045
1832 2210.32998 1348.24714 0.000545852
1864 2276.48754 1347.51489 0.000536481
1901 2353.77804 1346.7829 0.000526039
1982 2440.29606 1346.05116 0.000504541
2058 2533.90148 1345.31968 0.000485909
2135 2632.51095 1344.58845 0.000468384
2247 2733.9678 1343.85748 0.000445038
2337 2835.76612 1343.12676 0.000427899
2434 2934.25454 1342.3963 0.000410846
2501 3024.24181 1341.66609 0.00039984
2563 3099.30208 1340.93614 0.000390168
2646 3153.2121 1340.20645 0.000377929
2652 3181.73739 1339.47701 0.000377074
2666 3183.97022 1338.74783 0.000375094
2698 3162.49709 1338.01891 0.000370645
2691 3122.63016 1337.29025 0.000371609
2597 3071.23233 1336.56185 0.00038506
2498 3015.41737 1335.83371 0.00040032
2409 2961.26572 1335.10583 0.00041511
2319 2912.91715 1334.37821 0.00043122
2288 2871.62916 1333.65085 0.000437063
2238 2836.58511 1332.92376 0.000446828
2143 2805.27897 1332.19694 0.000466636
2065 2774.78151 1331.47038 0.000484262
2057 2742.52869 1330.74409 0.000486145
2029 2707.81456 1330.01806 0.000492854
2051 2671.11261 1329.29231 0.000487567
1999 2633.81467 1328.56683 0.00050025
1962 2597.09596 1327.84162 0.000509684
2007 2559.46878 1327.11669 0.000498256
2046 2524.89731 1326.39204 0.000488759
2113 2488.63796 1325.66766 0.000473261
2202 2451.327 1324.94356 0.000454133
2182 2410.85504 1324.21974 0.000458295
2210 2367.22709 1323.49621 0.000452489
2302 2321.36518 1322.77296 0.000434405
2310 2274.79765 1322.05 0.0004329
2299 2229.32044 1321.32733 0.000434972
2355 2186.40202 1320.60495 0.000424628
2436 2146.98395 1319.88286 0.000410509
2439 2111.01573 1319.16107 0.000410004
2494 2077.47455 1318.43958 0.000400962
2473 2044.56258 1317.71838 0.000404367
2545 2010.38397 1316.99749 0.000392927
2570 1973.49359 1316.27691 0.000389105
2552 1933.32264 1315.55663 0.00039185
2595 1890.21365 1314.83666 0.000385356
2561 1845.19704 1314.117 0.000390472
2562 1799.68156 1313.39766 0.00039032
2534 1755.13924 1312.67863 0.000394633
2423 1712.83288 1311.95993 0.000412712
2302 1673.65274 1311.24155 0.000434405
2220 1638.08752 1310.52349 0.00045045
2169 1606.28973 1309.80577 0.000461042
2098 1578.17478 1309.08837 0.000476644
2002 1552.33276 1308.37131 0.0004995
1887 1530.81828 1307.65459 0.000529942
1798 1511.50931 1306.93821 0.000556174
1717 1495.2436 1306.22218 0.000582411
1701 1481.09118 1305.50649 0.000587889
1705 1469.19073 1304.79115 0.00058651
1653 1459.00142 1304.07616 0.000604961
1595 1449.47497 1303.36154 0.000626959
1512 1441.24839 1302.64727 0.000661376
1519 1433.70551 1301.93336 0.000658328
1501 1427.29046 1301.21983 0.000666223
1490 1421.15531 1300.50666 0.000671141
1539 1415.56935 1299.79387 0.000649773
1575 1410.48264 1299.08146 0.000634921
1572 1405.782 1298.36943 0.000636132
1553 1401.93112 1297.65779 0.000643915
1554 1397.92013 1296.94653 0.000643501
1622 1394.19872 1296.23567 0.000616523
1652 1390.73981 1295.52521 0.000605327
1667 1387.76503 1294.81514 0.00059988
1633 1384.76974 1294.10548 0.00061237
1615 1381.98013 1293.39624 0.000619195
1658 1379.38339 1292.6874 0.000603136
1758 1376.96913 1291.97898 0.000568828
1664 1374.7293 1291.27098 0.000600962
1628 1372.65806 1290.56341 0.000614251
1566 1370.75185 1289.85627 0.00063857
1486 1369.00936 1289.14956 0.000672948
1489 1367.43164 1288.44329 0.000671592
1464 1366.02226 1287.73746 0.00068306
1400 1364.78736 1287.03208 0.000714286
1429 1363.73574 1286.32716 0.00069979
1402 1362.87884 1285.62268 0.000713267
1373 1362.8703 1284.91867 0.000728332
1409 1362.0442 1284.21513 0.000709723
1409 1361.87054 1283.51205 0.000709723
1462 1361.95626 1282.80945 0.000683995
1514 1362.43217 1282.10733 0.000660502
1414 1363.07586 1281.40569 0.000707214
1439 1363.99875 1280.70454 0.000694927
1504 1365.18657 1280.00388 0.000664894
1595 1366.6122 1279.30373 0.000626959
1654 1368.23926 1278.60407 0.000604595
1690 1370.0265 1277.90493 0.000591716
1722 1371.92712 1277.20629 0.00058072
1761 1373.90367 1276.50818 0.000567859
1807 1375.84121 1275.81059 0.000553403
1846 1377.55491 1275.11353 0.000541712
1936 1379.05953 1274.417 0.000516529
1939 1380.18169 1273.72101 0.00051573
2089 1381.45382 1273.02557 0.000478698
2129 1381.83991 1272.33067 0.000469704
2149 1381.97713 1271.63633 0.000465333
2105 1382.02955 1270.94255 0.000475059
2104 1382.45951 1270.24933 0.000475285
2031 1382.96505 1269.55668 0.000492368
1917 1384.02587 1268.86462 0.000521648
1814 1385.85132 1268.17313 0.000551268
1774 1388.65412 1267.48223 0.000563698
1768 1392.63553 1266.79192 0.000565611
1661 1398.00526 1266.10221 0.000602047
1553 1404.9905 1265.4131 0.000643915
1491 1413.82747 1264.7246 0.000670691
1434 1424.76578 1264.03672 0.00069735
1386 1438.05849 1263.34946 0.000721501
1409 1453.94666 1262.66283 0.000709723
1396 1472.63306 1261.97682 0.000716332
1362 1494.23954 1261.29146 0.000734214
1339 1518.73928 1260.60674 0.000746826
1337 1545.85622 1259.92267 0.000747943
1308 1574.93639 1259.23925 0.000764526
1276 1604.82862 1258.5565 0.000783699
1329 1633.86579 1257.87442 0.000752445
1251 1660.06741 1257.193 0.000799361
1307 1681.60707 1256.51227 0.000765111
1318 1697.37651 1255.83222 0.000758725
1359 1707.33132 1255.15287 0.000735835
1346 1712.44872 1254.47421 0.000742942
1307 1714.42944 1253.79626 0.000765111
1273 1715.3476 1253.11901 0.000785546
1306 1717.30427 1252.44248 0.000765697
1306 1722.07088 1251.76668 0.000765697
1259 1730.76102 1251.0916 0.000794281
1319 1743.58058 1250.41726 0.00075815
1304 1759.66532 1249.74366 0.000766871
1251 1777.1017 1249.07081 0.000799361
1302 1792.8107 1248.39871 0.000768049
1248 1803.68285 1247.72737 0.000801282
1247 1806.31336 1247.0568 0.000801925
1305 1799.35881 1246.387 0.000766284
1271 1782.45576 1245.71798 0.000786782
1246 1756.81526 1245.04975 0.000802568
1228 1724.36443 1244.38231 0.000814332
1250 1687.62738 1243.71567 0.0008
1217 1649.01082 1243.04983 0.000821693
1238 1610.97392 1242.38481 0.000807754
1255 1575.04036 1241.72061 0.000796813
1257 1542.18273 1241.05723 0.000795545
1237 1513.03568 1240.39468 0.000808407
1211 1487.66787 1239.73297 0.000825764
1184 1465.96589 1239.07211 0.000844595
1200 1447.67449 1238.4121 0.000833333
1222 1432.46576 1237.75295 0.000818331
1228 1420.13484 1237.09466 0.000814332
1286 1410.02704 1236.43725 0.000777605
1227 1401.95721 1235.78072 0.000814996
1231 1395.62456 1235.12507 0.000812348
1305 1390.8468 1234.47032 0.000766284
1219 1387.26441 1233.81646 0.000820345
1301 1384.79056 1233.16351 0.00076864
1234 1383.30769 1232.51148 0.000810373
1238 1382.73673 1231.86036 0.000807754
1298 1382.38478 1231.21018 0.000770416
1266 1383.64007 1230.56092 0.000789889
1280 1385.31669 1229.91261 0.00078125
1273 1388.20249 1229.26525 0.000785546
1260 1392.02074 1228.61884 0.000793651
1306 1396.9014 1227.97339 0.000765697
1289 1402.84259 1227.32892 0.000775795
1363 1410.04064 1226.68542 0.000733676
1279 1418.68417 1226.0429 0.000781861
1408 1429.0187 1225.40138 0.000710227
1413 1441.35932 1224.76085 0.000707714
1485 1456.1045 1224.12133 0.000673401
1489 1473.74946 1223.48281 0.000671592
1544 1494.89772 1222.84532 0.000647668
1647 1520.26846 1222.20886 0.000607165
1797 1550.69721 1221.57342 0.000556483
1792 1587.12744 1220.93903 0.000558036
1909 1630.58998 1220.30569 0.000523834
1961 1683.08823 1219.6734 0.000509944
2099 1743.85424 1219.04217 0.000476417
2245 1814.75602 1218.41201 0.000445434
2483 1896.46701 1217.78293 0.000402739
2597 1989.57337 1217.15494 0.00038506
2834 2092.32617 1216.52803 0.000352858
2927 2202.83451 1215.90223 0.000341647
3169 2316.62635 1215.27753 0.000315557
3552 2426.76487 1214.65394 0.000281532
3840 2524.30612 1214.03147 0.000260417
4173 2599.94923 1213.41013 0.000239636
4497 2646.4883 1212.78993 0.00022237
4946 2660.74896 1212.17087 0.000202184
5300 2643.86895 1211.55296 0.000188679
5669 2600.16662 1210.9362 0.000176398
5875 2535.70219 1210.32061 0.000170213
6049 2457.10246 1209.70619 0.000165317
6061 2370.56866 1209.09296 0.000164989
5825 2281.14284 1208.48091 0.000171674
5425 2192.47681 1207.87005 0.000184332
5069 2107.06389 1207.26039 0.000197278
4293 2026.58758 1206.65195 0.000232937
3698 1952.18349 1206.04472 0.000270416
3034 1884.61456 1205.43871 0.000329598
2653 1823.52502 1204.83394 0.000376932
2293 1770.86045 1204.23041 0.00043611
2056 1725.27326 1203.62812 0.000486381
1812 1687.25072 1203.02708 0.000551876
1698 1655.76994 1202.42731 0.000588928
1723 1630.17562 1201.82881 0.000580383
1561 1609.89939 1201.23158 0.000640615
1623 1594.54018 1200.63563 0.000616143
1663 1583.86905 1200.04098 0.000601323
1655 1577.79629 1199.44762 0.00060423
1592 1576.67772 1198.85558 0.000628141
1679 1579.89679 1198.26484 0.000595593
1638 1587.61809 1197.67543 0.000610501
1635 1599.67466 1197.08734 0.000611621
1712 1615.71622 1196.50059 0.000584112
1586 1634.48998 1195.91519 0.000630517
1685 1654.93218 1195.33113 0.000593472
1695 1675.43786 1194.74844 0.000589971
1742 1694.42373 1194.16711 0.000574053
1836 1710.32492 1193.58716 0.000544662
1843 1721.96666 1193.00858 0.000542594
1911 1727.45371 1192.4314 0.000523286
1968 1726.22118 1191.85561 0.00050813
2019 1718.17922 1191.28122 0.000495295
2089 1704.24914 1190.70825 0.000478698
2191 1685.53434 1190.13669 0.000456413
2276 1663.87186 1189.56656 0.000439367
2471 1641.0023 1188.99787 0.000404694
2458 1618.56295 1188.43061 0.000406835
2641 1597.93641 1187.86481 0.000378644
2799 1580.11654 1187.30046 0.00035727
2929 1565.64806 1186.73757 0.000341413
3173 1554.65122 1186.17616 0.000315159
3298 1546.90683 1185.61622 0.000303214
3525 1541.98374 1185.05777 0.000283688
3754 1539.40007 1184.50082 0.000266383
4126 1538.78647 1183.94536 0.000242365
4354 1539.99416 1183.39141 0.000229674
4748 1543.11653 1182.83898 0.000210615
4803 1548.45741 1182.28808 0.000208203
5002 1556.49748 1181.7387 0.00019992
4832 1567.87171 1181.19086 0.000206954
4761 1583.34311 1180.64457 0.00021004
4363 1603.54595 1180.09983 0.0002292
3906 1629.88196 1179.55665 0.000256016
3433 1663.14598 1179.01504 0.00029129
2972 1704.33249 1178.47501 0.000336474
2584 1754.8569 1177.93655 0.000386997
2246 1815.83826 1177.39969 0.000445236
2002 1888.5014 1176.86443 0.0004995
1773 1973.87342 1176.33077 0.000564016
1812 2072.63993 1175.79872 0.000551876
1735 2184.72296 1175.26829 0.000576369
1749 2308.77618 1174.73949 0.000571755
1667 2441.52575 1174.21232 0.00059988
1738 2577.30664 1173.6868 0.000575374
1806 2708.08329 1173.16292 0.00055371
1830 2824.4902 1172.6407 0.000546448
1849 2917.82641 1172.12015 0.000540833
1990 2981.89692 1171.60126 0.000502513
2114 3015.64911 1171.08406 0.000473037
2042 3020.88772 1170.56853 0.000489716
2219 3002.23663 1170.0547 0.000450653
2273 2965.99845 1169.54258 0.000439947
2326 2917.76389 1169.03215 0.000429923
2401 2861.91325 1168.52344 0.000416493
2553 2800.786 1168.01646 0.000391696
2575 2734.78027 1167.5112 0.00038835
2634 2663.82265 1167.00768 0.000379651
2656 2588.43556 1166.5059 0.000376506
2590 2510.28535 1166.00587 0.0003861
2654 2431.85167 1165.50759 0.00037679
2534 2356.20155 1165.01109 0.000394633
2574 2286.66394 1164.51635 0.0003885
2497 2226.56022 1164.02339 0.000400481
2391 2178.78375 1163.53222 0.000418235
2330 2145.43782 1163.04284 0.000429185
2214 2127.67782 1162.55526 0.000451671
2056 2125.69747 1162.06948 0.000486381
2037 2138.7006 1161.58552 0.000490918
1982 2164.74054 1161.10338 0.000504541
1962 2200.44126 1160.62306 0.000509684
1817 2240.78748 1160.14458 0.000550358
1773 2279.35873 1159.66795 0.000564016
1718 2309.35355 1159.19316 0.000582072
1647 2324.80716 1158.72022 0.000607165
1658 2323.9126 1158.24915 0.000603136
1668 2306.48257 1157.77994 0.00059952
1602 2276.31577 1157.31261 0.00062422
1633 2236.54327 1156.84717 0.00061237
1664 2191.40597 1156.38361 0.000600962
1619 2146.88672 1155.92195 0.000617665
1578 2108.15397 1155.46219 0.000633714
1612 2078.09836 1155.00434 0.000620347
1585 2058.65474 1154.5484 0.000630915
1534 2050.83109 1154.09439 0.00065189
1575 2053.86396 1153.64231 0.000634921
1534 2065.39135 1153.19216 0.00065189
1552 2083.19947 1152.74396 0.00064433
1465 2100.69722 1152.2977 0.000682594
1502 2112.95177 1151.8534 0.000665779
1499 2114.96572 1151.41106 0.000667111
1484 2103.4868 1150.97069 0.000673854
1499 2076.71635 1150.5323 0.000667111
1483 2036.22998 1150.09589 0.000674309
1455 1984.74937 1149.66146 0.000687285
1363 1925.08015 1149.22903 0.000733676
1389 1861.44516 1148.7986 0.000719942
1394 1797.2133 1148.37018 0.00071736
1337 1735.37458 1147.94377 0.000747943
1354 1678.13083 1147.51938 0.000738552
1351 1626.65205 1147.09701 0.000740192
1354 1581.38795 1146.67668 0.000738552
1345 1542.27648 1146.25839 0.000743494
1226 1508.95888 1145.84214 0.000815661
1246 1481.3444 1145.42794 0.000802568
1230 1458.07588 1145.0158 0.000813008
1255 1438.89357 1144.60572 0.000796813
1269 1423.61593 1144.19771 0.000788022
1227 1411.91061 1143.79177 0.000814996
1239 1402.99288 1143.38792 0.000807103
1277 1396.98902 1142.98615 0.000783085
1234 1393.69599 1142.58648 0.000810373
1244 1393.06547 1142.1889 0.000803859
1218 1395.12361 1141.79343 0.000821018
1270 1399.959 1141.40007 0.000787402
1287 1407.70536 1141.00882 0.000777001
1283 1418.70124 1140.6197 0.000779423
1278 1432.7103 1140.23271 0.000782473
1311 1449.96334 1139.84785 0.000762777
1302 1470.32543 1139.46513 0.000768049
1365 1493.34238 1139.08455 0.000732601
1294 1518.17893 1138.70613 0.000772798
1386 1543.13825 1138.32986 0.000721501
1393 1566.27122 1137.95575 0.000717875
1435 1585.32233 1137.58381 0.000696864
1416 1598.36821 1137.21404 0.000706215
1438 1604.35421 1136.84645 0.00069541
1472 1603.31759 1136.48105 0.000679348
1493 1596.21553 1136.11783 0.000669792
1479 1584.57726 1135.75681 0.000676133
1520 1570.23463 1135.39799 0.000657895
1545 1555.118 1135.04137 0.000647249
1543 1541.09741 1134.68697 0.000648088
1517 1529.93116 1134.33477 0.000659196
1496 1522.35276 1133.9848 0.000668449
1454 1519.13138 1133.63706 0.000687758
1529 1520.33187 1133.29154 0.000654022
1441 1525.49873 1132.94827 0.000693963
1476 1533.76776 1132.60723 0.000677507
1469 1543.57273 1132.26844 0.000680735
1474 1553.46933 1131.9319 0.000678426
1402 1562.16208 1131.59761 0.000713267
1419 1568.96752 1131.26559 0.000704722
1434 1573.90159 1130.93583 0.00069735
1504 1577.47003 1130.60834 0.000664894
1423 1580.37989 1130.28313 0.000702741
1484 1583.34148 1129.96019 0.000673854
1490 1586.93072 1129.63954 0.000671141
1560 1591.47105 1129.32118 0.000641026
1554 1597.02184 1129.00511 0.000643501
1541 1603.56455 1128.69134 0.000648929
1545 1611.29905 1128.37987 0.000647249
1615 1620.8316 1128.07071 0.000619195
1681 1633.15011 1127.76386 0.000594884
1737 1649.49862 1127.45933 0.000575705
1781 1671.29001 1127.15712 0.000561482
1798 1700.04955 1126.85723 0.000556174
1921 1737.34827 1126.55967 0.000520562
2007 1784.35556 1126.26444 0.000498256
2116 1841.93947 1125.97155 0.00047259
2177 1910.06253 1125.681 0.000459348
2343 1988.13136 1125.39279 0.000426803
2556 2071.37522 1125.10693 0.000391236
2673 2154.82816 1124.82343 0.000374111
2900 2230.59702 1124.54228 0.000344828
3161 2290.16547 1124.2635 0.000316356
3405 2325.2497 1123.98707 0.000293686
3680 2332.36108 1123.71302 0.000271739
3852 2311.79649 1123.44134 0.000259605
4120 2266.91311 1123.17203 0.000242718
4446 2202.64073 1122.9051 0.000224921
4854 2124.68738 1122.64056 0.000206016
4944 2039.19618 1122.3784 0.000202265
5235 1952.11564 1122.11863 0.000191022
5517 1868.36938 1121.86126 0.000181258
5690 1791.33966 1121.60628 0.000175747
5980 1722.86881 1121.3537 0.000167224
6086 1663.6002 1121.10353 0.000164312
6485 1613.40173 1120.85576 0.000154202
6864 1571.71997 1120.6104 0.000145688
7352 1537.82577 1120.36746 0.000136017
7918 1510.96641 1120.12693 0.000126295
8549 1490.45399 1119.88881 0.000116973
9114 1475.71395 1119.65313 0.000109721
9776 1466.3097 1119.41986 0.000102291
10229 1461.95241 1119.18902 0.000097761
10342 1462.50525 1118.96062 0.000096693
10024 1467.95731 1118.73464 0.000099761
9457 1478.43397 1118.51111 0.000105742
8670 1494.15032 1118.29001 0.00011534
7758 1515.36688 1118.07135 0.000128899
6598 1542.3095 1117.85514 0.000151561
5478 1575.02324 1117.64137 0.000182548
4484 1613.17606 1117.43005 0.000223015
3754 1655.65691 1117.22119 0.000266383
3173 1700.77044 1117.01477 0.000315159
2806 1745.46914 1116.81082 0.000356379
2492 1786.19172 1116.60932 0.000401284
2252 1819.57861 1116.41028 0.00044405
2179 1843.72017 1116.2137 0.000458926
2178 1858.28325 1116.01958 0.000459137
2244 1864.38608 1115.82794 0.000445633
2258 1863.76851 1115.63876 0.00044287
2272 1858.16319 1115.45205 0.000440141
2254 1848.89269 1115.26781 0.000443656
2217 1836.54239 1115.08605 0.00045106
2197 1820.79856 1114.90676 0.000455166
2111 1800.56918 1114.72995 0.000473709
2030 1775.37522 1114.55561 0.000492611
1911 1744.95484 1114.38376 0.000523286
1826 1710.25164 1114.21439 0.000547645
1745 1671.81095 1114.0475 0.000573066
1661 1631.33323 1113.8831 0.000602047
1623 1590.14336 1113.72118 0.000616143
1532 1549.74184 1113.56175 0.000652742
1510 1511.65008 1113.4048 0.000662252
1444 1476.66828 1113.25035 0.000692521
1406 1445.51021 1113.09838 0.000711238
1344 1418.34732 1112.94891 0.000744048
1295 1395.37694 1112.80193 0.000772201
1278 1375.66783 1112.65744 0.000782473
1267 1359.17384 1112.51544 0.000789266
1271 1345.56573 1112.37594 0.000786782
1208 1334.40099 1112.23893 0.000827815
1182 1325.57233 1112.10442 0.000846024
1192 1318.48867 1111.97241 0.000838926
1251 1313.08143 1111.84289 0.000799361
1185 1309.18528 1111.71587 0.000843882
1200 1306.59361 1111.59134 0.000833333
1198 1305.18582 1111.46931 0.000834725
1225 1304.8237 1111.34979 0.000816327
1211 1305.35887 1111.23275 0.000825764
1205 1306.6302 1111.11822 0.000829876
1196 1308.47746 1111.00618 0.00083612
1190 1310.7746 1110.89665 0.000840336
1184 1313.465 1110.78961 0.000844595
1194 1316.57291 1110.68506 0.000837521
1207 1320.18491 1110.58302 0.0008285
1220 1324.4238 1110.48347 0.000819672
1211 1329.83016 1110.38642 0.000825764
1236 1335.83529 1110.29186 0.000809061
1255 1342.92218 1110.1998 0.000796813
1264 1351.32064 1110.11023 0.000791139
1276 1361.19866 1110.02316 0.000783699
1255 1372.88985 1109.93858 0.000796813
1260 1386.11088 1109.8565 0.000793651
1268 1401.02802 1109.7769 0.000788644
1340 1417.59055 1109.6998 0.000746269
1388 1435.82694 1109.62518 0.000720461
1434 1455.18846 1109.55306 0.00069735
1506 1475.78273 1109.48342 0.000664011
1560 1497.76962 1109.41627 0.000641026
1635 1521.69718 1109.3516 0.000611621
1726 1548.09525 1109.28942 0.000579374
1822 1577.95911 1109.22972 0.000548847
1928 1612.36757 1109.17249 0.000518672
2046 1652.59632 1109.11775 0.000488759
2250 1700.12866 1109.06549 0.000444444
2422 1756.1261 1109.01569 0.000412882
2663 1823.44662 1108.96838 0.000375516
2969 1903.54499 1108.92353 0.000336814
3279 1998.47619 1108.88116 0.000304971
3641 2109.99979 1108.84125 0.00027465
4080 2240.31737 1108.8038 0.000245098
4478 2390.00753 1108.76882 0.000223314
5007 2558.17769 1108.7363 0.00019972
5511 2740.94224 1108.70624 0.000181455
6206 2930.60177 1108.67864 0.000161134
6825 3114.8675 1108.65349 0.00014652
7363 3278.89783 1108.63079 0.000135814
8018 3409.11672 1108.61053 0.000124719
8603 3497.75839 1108.59273 0.000116239
8885 3544.38246 1108.57736 0.000112549
8741 3554.00103 1108.56444 0.000114403
8455 3533.3632 1108.55395 0.000118273
8027 3488.54231 1108.54589 0.00012458
7412 3424.34187 1108.54027 0.000134916
6720 3344.49866 1108.53707 0.00014881
5956 3251.94455 1108.5363 0.000167898
5151 3149.60959 1108.53795 0.000194137
4640 3041.04545 1108.54201 0.000215517
4134 2930.01975 1108.54849 0.000241896
3664 2819.65458 1108.55738 0.000272926
3324 2711.9477 1108.56867 0.000300842
3109 2608.61815 1108.58236 0.000321647
2942 2511.66967 1108.59846 0.000339905
2705 2423.51596 1108.61695 0.000369686
2636 2346.35737 1108.63783 0.000379363
2556 2281.5335 1108.66109 0.000391236
2454 2229.21986 1108.68674 0.000407498
2458 2187.96045 1108.71476 0.000406835
2388 2155.03841 1108.74516 0.00041876
2350 2126.65245 1108.77793 0.000425532
2354 2099.17838 1108.81306 0.000424809
2278 2069.48287 1108.85055 0.000438982
2154 2036.24666 1108.89039 0.000464253
2151 1999.71426 1108.93259 0.0004649
2194 1961.12355 1108.97713 0.000455789
2134 1921.76083 1109.02401 0.000468604
2017 1882.9947 1109.07323 0.000495786
1989 1846.19652 1109.12477 0.000502765
1937 1812.44061 1109.17864 0.000516262
1908 1782.06162 1109.23484 0.000524109
1874 1754.52292 1109.29334 0.000533618
1804 1728.61923 1109.35415 0.000554324
1729 1703.34675 1109.41727 0.000578369
1690 1678.18187 1109.48268 0.000591716
1707 1653.28758 1109.55038 0.000585823
1673 1629.07358 1109.62037 0.000597729
1612 1606.71912 1109.69264 0.000620347
1580 1585.68233 1109.76719 0.000632911
1565 1567.324 1109.844 0.000638978
1556 1552.4863 1109.92307 0.000642674
1532 1541.79578 1110.00439 0.000652742
1468 1535.8084 1110.08797 0.000681199
1404 1533.64278 1110.17379 0.000712251
1376 1534.78892 1110.26184 0.000726744
1389 1537.87163 1110.35212 0.000719942
1397 1541.12255 1110.44462 0.00071582
1347 1542.78181 1110.53934 0.00074239
1335 1541.63525 1110.63627 0.000749064
1348 1537.35136 1110.73539 0.00074184
1361 1530.37759 1110.83671 0.000734754
1343 1521.49156 1110.94022 0.000744602
1288 1511.60627 1111.04591 0.000776398
1267 1501.70935 1111.15377 0.000789266
1295 1492.6861 1111.26379 0.000772201
1300 1486.22483 1111.37597 0.000769231
1311 1482.82903 1111.4903 0.000762777
1287 1484.10084 1111.60677 0.000777001
1220 1490.29968 1111.72537 0.000819672
1246 1502.07967 1111.8461 0.000802568
1266 1520.54255 1111.96895 0.000789889
1285 1545.551 1112.09391 0.00077821
1314 1577.86081 1112.22096 0.000761035
1283 1617.85501 1112.35011 0.000779423
1272 1665.19843 1112.48134 0.000786164
1247 1719.71444 1112.61465 0.000801925
1251 1778.80877 1112.75003 0.000799361
1309 1838.88429 1112.88746 0.000763942
1313 1894.39415 1113.02694 0.000761615
1282 1939.21613 1113.16846 0.000780031
1332 1967.50075 1113.31201 0.000750751
1385 1976.08169 1113.45759 0.000722022
1442 1965.16747 1113.60518 0.000693481
1466 1937.38317 1113.75477 0.000682128
1399 1896.15574 1113.90635 0.000714796
1412 1844.89728 1114.05992 0.000708215
1461 1787.13561 1114.21546 0.000684463
1488 1726.68357 1114.37296 0.000672043
1475 1667.21123 1114.53243 0.000677966
1444 1611.60227 1114.69383 0.000692521
1416 1561.26673 1114.85717 0.000706215
1383 1517.62953 1115.02244 0.000723066
1383 1480.32992 1115.18962 0.000723066
1401 1448.94596 1115.3587 0.000713776
1378 1422.70206 1115.52968 0.000725689
1330 1401.3115 1115.70254 0.00075188
1323 1383.99876 1115.87727 0.000755858
1320 1370.2357 1116.05386 0.000757576
1323 1359.5793 1116.2323 0.000755858
1280 1351.68035 1116.41258 0.00078125
1202 1346.29149 1116.59469 0.000831947
1224 1343.72208 1116.77862 0.000816993
1282 1343.01732 1116.96435 0.000780031
1244 1344.68025 1117.15188 0.000803859
1214 1348.80681 1117.34119 0.000823723
1260 1355.54976 1117.53227 0.000793651
1252 1365.08477 1117.72511 0.000798722
1189 1377.70042 1117.91969 0.000841043
1203 1393.45123 1118.11601 0.000831255
1241 1412.09165 1118.31406 0.000805802
1193 1433.44202 1118.51381 0.000838223
1181 1456.40567 1118.71527 0.00084674
1195 1479.59164 1118.91841 0.00083682
1179 1501.71962 1119.12322 0.000848176
1207 1521.35105 1119.3297 0.0008285
1214 1538.50805 1119.53782 0.000823723
1208 1553.66772 1119.74758 0.000827815
1229 1567.32234 1119.95896 0.00081367
1217 1579.4998 1120.17195 0.000821693
1216 1589.18256 1120.38654 0.000822368
1249 1595.3142 1120.60271 0.000800641
1256 1596.48033 1120.82045 0.000796178
1279 1592.20031 1121.03975 0.000781861
1294 1582.69478 1121.26059 0.000772798
1304 1568.85986 1121.48295 0.000766871
1347 1551.78763 1121.70684 0.00074239
1371 1532.366 1121.93222 0.000729395
1367 1511.74154 1122.15909 0.000731529
1375 1491.16951 1122.38743 0.000727273
1372 1472.29282 1122.61723 0.000728863
1362 1455.81511 1122.84848 0.000734214
1352 1442.96386 1123.08115 0.000739645
1308 1434.71641 1123.31524 0.000764526
1248 1430.91614 1123.55073 0.000801282
1238 1432.32619 1123.7876 0.000807754
1282 1438.73431 1124.02584 0.000780031
1286 1450.35356 1124.26544 0.000777605
1245 1466.94892 1124.50638 0.000803213
1219 1488.13499 1124.74864 0.000820345
1262 1512.32327 1124.99221 0.000792393
1259 1537.55239 1125.23707 0.000794281
1228 1560.99447 1125.48322 0.000814332
1253 1579.75709 1125.73062 0.000798085
1220 1591.93351 1125.97927 0.000819672
1213 1597.02807 1126.22915 0.000824402
1248 1595.90118 1126.48024 0.000801282
1274 1589.84163 1126.73253 0.000784929
1251 1579.85588 1126.986 0.000799361
1252 1566.54919 1127.24063 0.000798722
1280 1550.33222 1127.49641 0.00078125
1261 1531.57418 1127.75333 0.000793021
1262 1510.68265 1128.01135 0.000792393
1239 1488.20317 1128.27048 0.000807103
1274 1464.74837 1128.53068 0.000784929
1278 1441.15983 1128.79195 0.000782473
1268 1417.83005 1129.05426 0.000788644
1222 1395.04836 1129.3176 0.000818331
1192 1373.04411 1129.58194 0.000838926
1163 1352.25899 1129.84729 0.000859845
1180 1333.04474 1130.1136 0.000847458
1170 1315.70352 1130.38087 0.000854701
1145 1300.31193 1130.64908 0.000873362
1133 1286.96401 1130.91821 0.000882613
1106 1275.46513 1131.18825 0.000904159
1070 1265.62562 1131.45916 0.000934579
1059 1257.21222 1131.73094 0.000944287
1070 1250.09088 1132.00356 0.000934579
1004 1244.0598 1132.27702 0.000996016
990 1238.97212 1132.55128 0.001010101
1002 1234.70593 1132.82633 0.000998004
1003 1231.1622 1133.10215 0.000997009
969 1228.26207 1133.37871 0.001031992
991 1225.94423 1133.65601 0.001009082
1009 1224.16328 1133.93402 0.00099108
963 1222.88747 1134.21273 0.001038422
954 1222.09752 1134.4921 0.001048218
976 1221.28375 1134.77212 0.00102459
935 1221.45439 1135.05278 0.001069519
957 1222.1127 1135.33405 0.001044932
976 1223.26986 1135.61591 0.00102459
993 1224.68085 1135.89833 0.001007049
977 1226.83686 1136.18131 0.001023541
982 1229.435 1136.46482 0.00101833
994 1232.36728 1136.74883 0.001006036
1006 1235.45556 1137.03333 0.000994036
1001 1238.46911 1137.3183 0.000999001
973 1241.18568 1137.60371 0.001027749
974 1243.47135 1137.88954 0.001026694
987 1245.32799 1138.17578 0.001013171
988 1246.86763 1138.46239 0.001012146
954 1248.24455 1138.74936 0.001048218
1003 1249.6107 1139.03667 0.000997009
1049 1251.12049 1139.32429 0.000953289
1024 1252.95296 1139.61221 0.000976562
1034 1255.31266 1139.90039 0.000967118
1079 1258.40837 1140.18882 0.000926784
1062 1262.43308 1140.47747 0.00094162
1070 1267.56034 1140.76632 0.000934579
1128 1273.95525 1141.05535 0.000886525
1156 1281.79074 1141.34454 0.000865052
1165 1291.26195 1141.63386 0.000858369
1219 1302.59597 1141.92329 0.000820345
1252 1316.0545 1142.2128 0.000798722
1254 1331.9276 1142.50238 0.000797448
1271 1350.51729 1142.79199 0.000786782
1300 1371.91491 1143.08162 0.000769231
1366 1396.70589 1143.37123 0.000732064
1368 1424.91776 1143.66082 0.000730994
1399 1456.53672 1143.95034 0.000714796
1473 1491.29923 1144.23978 0.000678887
1450 1528.87477 1144.52912 0.000689655
1372 1568.09902 1144.81832 0.000728863
1363 1606.95889 1145.10737 0.000733676
1344 1642.29052 1145.39623 0.000744048
1343 1670.79862 1145.68489 0.000744602
1293 1689.08316 1145.97332 0.000773395
1250 1695.49355 1146.26148 0.0008
1199 1690.36044 1146.54937 0.000834028
1202 1675.68006 1146.83695 0.000831947
1217 1653.51391 1147.12419 0.000821693
1207 1625.73672 1147.41107 0.0008285
1210 1594.11836 1147.69757 0.000826446
1221 1560.64369 1147.98365 0.000819001
1202 1527.45124 1148.2693 0.000831947
1208 1496.45085 1148.55448 0.000827815
1265 1468.99169 1148.83916 0.000790514
1294 1445.78367 1149.12333 0.000772798
1352 1427.02276 1149.40695 0.000739645
1439 1412.59019 1149.69 0.000694927
1521 1402.23607 1149.97245 0.000657462
1562 1395.70231 1150.25428 0.000640205
1639 1392.76869 1150.53544 0.000610128
1762 1393.22283 1150.81593 0.000567537
1877 1396.77535 1151.0957 0.000532765
2017 1402.94338 1151.37474 0.000495786
2117 1410.92689 1151.653 0.000472367
2165 1419.52278 1151.93048 0.000461894
2284 1427.22534 1152.20713 0.000437828
2379 1432.4847 1152.48293 0.000420345
2544 1434.20395 1152.75785 0.000393082
2623 1432.05983 1153.03186 0.000381243
2765 1426.42391 1153.30493 0.000361664
3049 1417.98888 1153.57703 0.000327976
3133 1407.41069 1153.84814 0.000319183
3423 1395.27878 1154.11822 0.000292141
3633 1382.24075 1154.38725 0.000275255
3770 1369.05493 1154.65519 0.000265252
3885 1356.48311 1154.92201 0.0002574
3919 1345.13558 1155.18769 0.000255167
3795 1335.39316 1155.4522 0.000263505
3629 1327.40308 1155.7155 0.000275558
3488 1321.25105 1155.97756 0.000286697
3274 1316.87742 1156.23836 0.000305437
2923 1314.22585 1156.49786 0.000342114
2691 1313.23406 1156.75603 0.000371609
2303 1313.90465 1157.01284 0.000434216
2045 1316.24317 1157.26826 0.000488998
1849 1320.31739 1157.52226 0.000540833
1646 1326.24582 1157.7748 0.000607533
1464 1334.19751 1158.02586 0.00068306
1385 1344.39023 1158.27541 0.000722022
1322 1357.08505 1158.5234 0.00075643
1257 1372.57244 1158.76981 0.000795545
1259 1391.13798 1159.01461 0.000794281
1278 1412.9933 1159.25776 0.000782473
1231 1438.1566 1159.49924 0.000812348
1261 1466.27162 1159.739 0.000793021
1252 1495.79604 1159.97702 0.000798722
1289 1525.79947 1160.21326 0.000775795
1318 1554.10402 1160.44769 0.000758725
1347 1577.69894 1160.68028 0.00074239
1335 1594.31402 1160.91099 0.000749064
1326 1603.69469 1161.13978 0.000754148
1368 1606.6642 1161.36664 0.000730994
1377 1604.02131 1161.59151 0.000726216
1357 1598.09114 1161.81437 0.00073692
1382 1589.7039 1162.03518 0.000723589
1379 1580.11077 1162.25391 0.000725163
1366 1570.4609 1162.47053 0.000732064
1413 1562.46676 1162.68499 0.000707714
1341 1556.6425 1162.89727 0.000745712
1322 1553.23871 1163.10732 0.00075643
1339 1551.59332 1163.31512 0.000746826
1292 1550.82145 1163.52063 0.000773994
1283 1550.17985 1163.7238 0.000779423
1293 1549.53552 1163.92462 0.000773395
1323 1548.82459 1164.12303 0.000755858
1311 1548.79522 1164.31901 0.000762777
1281 1549.33375 1164.51252 0.00078064
1329 1550.37581 1164.70352 0.000752445
1326 1551.88143 1164.89197 0.000754148
1302 1553.92571 1165.07784 0.000768049
1258 1557.24219 1165.2611 0.000794913
1303 1562.45143 1165.44169 0.00076746
1329 1570.31069 1165.6196 0.000752445
1321 1581.27582 1165.79477 0.000757002
1294 1595.74 1165.96718 0.000772798
1289 1613.32252 1166.13678 0.000775795
1300 1633.19987 1166.30354 0.000769231
1294 1653.95643 1166.46742 0.000772798
1268 1673.89962 1166.62838 0.000788644
1285 1691.03273 1166.78638 0.00077821
1323 1703.55074 1166.94138 0.000755858
1379 1709.95682 1167.09335 0.000725163
1398 1709.17323 1167.24224 0.000715308
1335 1700.71906 1167.38803 0.000749064
1335 0 0 0.000749064
