#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:23:33 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1243 $
#$URL: svn://crystallography.net/testcod/cif/4/06/00/4060001.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4060001
loop_
_publ_author_name
'Dinnebier, Robert'
'Esbak, Hoda'
'Olbrich, Falk'
'Behrens, Ulrich'
_publ_section_title
;
 Structure Determination of Unsolvated Potassium, Rubidium, and Cesium
 Carbazolates
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2604
_journal_page_last               2608
_journal_paper_doi               10.1021/om060927t
_journal_volume                  26
_journal_year                    2007
_chemical_compound_source        'laboratory preparation'
_chemical_formula_analytical     'C12 H8 Cs N'
_chemical_formula_moiety         'C12 H8 Cs N'
_chemical_formula_structural     '[Cs(NC12H8)]n'
_chemical_formula_sum            'C12 H8 Cs N'
_chemical_formula_weight         299.11
_chemical_melting_point          '285 oC'
_chemical_name_common            'cesium carbazolate'
_chemical_name_systematic        ' cesium carbazolate'
_space_group_IT_number           9
_space_group_name_Hall           'I -2ya'
_space_group_name_H-M_alt        'I 1 a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 a 1'
_audit_creation_date             2005-06-06T17:41
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-06-06T17:41  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.5032(13)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   15.39781(30)
_cell_length_b                   12.73728(29)
_cell_length_c                   11.38431(20)
_cell_measurement_temperature    100
_cell_volume                     2171.04(8)
_computing_molecular_graphics    'SHELXTL (Bruker AXS, 1998)'
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'StadiP, Stoe & Cie GmbH'
_diffrn_radiation_monochromator  Ge(111)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1136
_pd_block_id
2005-06-06T17:41|CSCARBRV_CORRECTED|R.E.D.|Stoe_Stadi-P
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  colourless
_pd_char_particle_morphology     'not determined'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        59.89
_pd_meas_2theta_range_min        5.0
_pd_meas_number_of_points        5490
_pd_meas_scan_method             step
_pd_phase_name                   Cs-Carbazolid
_pd_prep_temperature             100
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        59.8744
_pd_proc_2theta_range_min        4.9844
_pd_proc_info_datetime           2005-06-06T17:41:16
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 2 with  4 terms.
 Cosine Fourier series
      1:    0.00000     2:    0.00000     3:    0.00000     4:    0.00000    
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
 CW Profile function number 4 with  21 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Microstrain broadening by P.W. Stephens,  (1999). J. Appl. Cryst.,32,281-289.
 #1(GU)   =    0.000 #2(GV)   =    0.000 #3(GW)   =    0.000
 #4(GP)   =    8.922 #5(LX)   =    0.000 #6(ptec) =     0.00
 #7(trns) =     0.00 #8(shft) =   0.0000 #9(sfec) =     0.00
 #10(S/L) =   0.0226 #11(H/L) =   0.0201 #12(eta) =   1.0000
 #13(S400 ) =  4.4E-03 #14(S040 ) =  1.3E-02 #15(S004 ) =  2.1E-03
 #16(S220 ) = -1.3E-04 #17(S202 ) =  3.3E-03 #18(S022 ) =  7.9E-03
 #19(S301 ) =  4.8E-03 #20(S103 ) =  1.5E-03 #21(S121 ) =  0.0E+00
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0464
_pd_proc_ls_prof_wR_expected     0.0679
_pd_proc_ls_prof_wR_factor       0.0581
_pd_proc_number_of_points        5490
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   0.89
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     149
_refine_ls_number_restraints     148
_refine_ls_R_Fsqd_factor         0.09551
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.02
_reflns_d_resolution_high        1.547
_reflns_d_resolution_low         9.702
_reflns_limit_h_max              9
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              7
_reflns_limit_l_min              -7
_reflns_number_total             305
_cod_data_source_file            om060927trom20061010_045230.cif
_cod_data_source_block           CsCarb
_cod_original_sg_symbol_H-M      'I a'
_cod_database_code               4060001
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x+1/2,-y,+z
101 +x+1/2,+y+1/2,+z+1/2
102 +x,-y+1/2,+z+1/2
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Cs Cs1 0.7654(4) 0.93836(29) 0.65348 1.0 Uiso 0.0722(22) 4
N N1 0.6895(7) 0.6979(8) 0.9202(6) 1.0 Uiso 0.055(5) 4
C C1 0.7684(8) 0.7364(7) 0.9022(5) 1.0 Uiso 0.055(5) 4
C C2 0.8027(6) 0.6771(8) 0.8163(6) 1.0 Uiso 0.055(5) 4
C C3 0.8830(6) 0.7073(11) 0.7887(9) 1.0 Uiso 0.055(5) 4
C C4 0.9292(7) 0.7955(12) 0.8446(12) 1.0 Uiso 0.055(5) 4
C C5 0.8955(11) 0.8537(9) 0.9284(11) 1.0 Uiso 0.055(5) 4
C C6 0.8153(11) 0.8244(7) 0.9571(7) 1.0 Uiso 0.055(5) 4
C C7 0.6717(6) 0.6132(8) 0.8442(7) 1.0 Uiso 0.055(5) 4
C C8 0.7382(6) 0.5960(7) 0.7772(5) 1.0 Uiso 0.055(5) 4
C C9 0.7289(10) 0.5122(7) 0.6956(5) 1.0 Uiso 0.055(5) 4
C C10 0.6547(12) 0.4456(7) 0.6801(8) 1.0 Uiso 0.055(5) 4
C C11 0.5896(9) 0.4623(10) 0.7458(11) 1.0 Uiso 0.055(5) 4
C C12 0.5980(6) 0.5459(11) 0.8276(10) 1.0 Uiso 0.055(5) 4
H H3 0.9064(6) 0.6676(13) 0.7313(10) 1.0 Uiso 0.055(5) 4
H H4 0.9843(7) 0.8161(16) 0.8254(15) 1.0 Uiso 0.055(5) 4
H H5 0.9276(14) 0.9141(10) 0.9664(13) 1.0 Uiso 0.055(5) 4
H H6 0.7925(14) 0.8646(7) 1.0146(7) 1.0 Uiso 0.055(5) 4
H H9 0.7733(12) 0.5004(9) 0.6503(5) 1.0 Uiso 0.055(5) 4
H H10 0.6485(15) 0.3882(7) 0.6241(9) 1.0 Uiso 0.055(5) 4
H H11 0.5390(10) 0.4163(12) 0.7346(14) 1.0 Uiso 0.055(5) 4
H H12 0.5531(6) 0.5570(14) 0.8724(13) 1.0 Uiso 0.055(5) 4
Cs Cs2 0.5517(4) 0.69881(26) 0.5512(4) 1.0 Uiso 0.0511(19) 4
N N2 0.4988(7) 0.8948(10) 0.7750(7) 1.0 Uiso 0.076(6) 4
C C21 0.4356(6) 0.8728(9) 0.6716(10) 1.0 Uiso 0.076(6) 4
C C22 0.4371(6) 0.9439(9) 0.5750(6) 1.0 Uiso 0.076(6) 4
C C23 0.3762(6) 0.9311(11) 0.4636(8) 1.0 Uiso 0.076(6) 4
C C24 0.3139(6) 0.8491(12) 0.4473(14) 1.0 Uiso 0.076(6) 4
C C25 0.3123(6) 0.7795(10) 0.5421(18) 1.0 Uiso 0.076(6) 4
C C26 0.3729(7) 0.7913(8) 0.6540(16) 1.0 Uiso 0.076(6) 4
C C27 0.5416(6) 0.9817(10) 0.7455(6) 1.0 Uiso 0.076(6) 4
C C28 0.5073(6) 1.0162(9) 0.6240(6) 1.0 Uiso 0.076(6) 4
C C29 0.5445(7) 1.1044(9) 0.5812(11) 1.0 Uiso 0.076(6) 4
C C30 0.6150(6) 1.1584(9) 0.6571(16) 1.0 Uiso 0.076(6) 4
C C31 0.6486(5) 1.1246(11) 0.7761(15) 1.0 Uiso 0.076(6) 4
C C32 0.6121(6) 1.0365(12) 0.8203(9) 1.0 Uiso 0.076(6) 4
H H23 0.3770(8) 0.9786(13) 0.3984(6) 1.0 Uiso 0.076(6) 4
H H24 0.2722(6) 0.8405(14) 0.3709(16) 1.0 Uiso 0.076(6) 4
H H25 0.2694(6) 0.7235(10) 0.5302(23) 1.0 Uiso 0.076(6) 4
H H26 0.3715(9) 0.7433(9) 0.7186(19) 1.0 Uiso 0.076(6) 4
H H29 0.5217(8) 1.1279(10) 0.4997(12) 1.0 Uiso 0.076(6) 4
H H30 0.6404(7) 1.2188(9) 0.6275(20) 1.0 Uiso 0.076(6) 4
H H31 0.6970(6) 1.1620(13) 0.8277(19) 1.0 Uiso 0.076(6) 4
H H32 0.6354(8) 1.0137(14) 0.9020(9) 1.0 Uiso 0.076(6) 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Cs 8.0 0.000 0.000 20.3892 3.56900 19.1062 0.31070 10.6620 24.3879 1.49530
213.904 3.33520 International_Tables_Vol_C
N 8.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630
0.58260 -11.529 International_Tables_Vol_C
C 96.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500
51.6512 0.21560 International_Tables_Vol_C
H 64.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081
57.7997 0.00304 International_Tables_Vol_C
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
N1 Cs1 C4 108.3(5) 102_464 . 1_555 N
N1 Cs1 C5 127.6(4) 102_464 . 1_555 N
N1 Cs1 C22 100.51(12) 102_464 . 2_575 N
N1 Cs1 C23 83.04(16) 102_464 . 2_575 N
N1 Cs1 C31 126.18(25) 102_464 . 1_555 N
C4 Cs1 C22 84.12(18) 1_555 . 2_575 N
C4 Cs1 C23 104.64(23) 1_555 . 2_575 N
C4 Cs1 C31 118.7(5) 1_555 . 1_555 N
C5 Cs1 C22 93.13(31) 1_555 . 2_575 N
C5 Cs1 C23 116.49(32) 1_555 . 2_575 N
C5 Cs1 C31 95.4(5) 1_555 . 1_555 N
C22 Cs1 C23 23.61(4) 2_575 . 2_575 N
C22 Cs1 C31 108.58(33) 2_575 . 1_555 N
C23 Cs1 C31 107.4(5) 2_575 . 1_555 N
Cs1 N1 C1 98.91(29) 102_465 . 1_555 N
Cs1 N1 C2 100.94(21) 102_465 . 1_555 N
Cs1 N1 C6 95.35(32) 102_465 . 1_555 N
Cs1 N1 C7 94.52(26) 102_465 . 1_555 N
Cs1 N1 C8 99.46(18) 102_465 . 1_555 N
Cs1 N1 C12 89.45(31) 102_465 . 1_555 N
Cs1 N1 Cs2 89.39(17) 102_465 . 102_465 N
C1 N1 Cs2 129.8(6) 1_555 . 102_465 N
C7 N1 Cs2 124.8(6) 1_555 . 102_465 N
C1 N1 C7 103.97 1_555 . 1_555 N
Cs2 N2 C21 135.7(6) 102_465 . 1_555 N
Cs2 N2 C22 169.6(5) 102_465 . 1_555 N
Cs2 N2 C26 109.0(6) 102_465 . 1_555 N
Cs2 N2 C27 120.1(6) 102_465 . 1_555 N
Cs2 N2 C28 154.2(6) 102_465 . 1_555 N
Cs2 N2 C32 93.4(6) 102_465 . 1_555 N
C21 N2 C27 103.98 1_555 . 1_555 N
N1 C1 C2 113.28 1_555 . 1_555 N
N1 C1 C6 127.11 1_555 . 1_555 N
C1 C2 C3 119.69 1_555 . 1_555 N
C1 C2 C8 104.74 1_555 . 1_555 N
C2 C3 C4 120.01 1_555 . 1_555 N
Cs1 C4 C1 74.54 1_555 . 1_555 N
Cs1 C4 C2 78.29 1_555 . 1_555 N
Cs1 C4 C3 85.25 1_555 . 1_555 N
Cs1 C4 C5 79.45 1_555 . 1_555 N
Cs1 C4 C6 74.94 1_555 . 1_555 N
C3 C4 C5 120.30 1_555 . 1_555 N
Cs1 C5 C1 78.54 1_555 . 1_555 N
Cs1 C5 C2 73.35 1_555 . 1_555 N
Cs1 C5 C3 72.98 1_555 . 1_555 N
Cs1 C5 C4 77.18 1_555 . 1_555 N
Cs1 C5 C6 86.47 1_555 . 1_555 N
C4 C5 C6 120.34 1_555 . 1_555 N
C1 C6 C5 120.04 1_555 . 1_555 N
N1 C7 C8 113.26 1_555 . 1_555 N
N1 C7 C12 127.14 1_555 . 1_555 N
C2 C8 C7 104.75 1_555 . 1_555 N
C7 C8 C9 119.69 1_555 . 1_555 N
C8 C9 C10 120.02 1_555 . 1_555 N
C9 C10 C11 120.31 1_555 . 1_555 N
C10 C11 C12 120.34 1_555 . 1_555 N
C7 C12 C11 120.04 1_555 . 1_555 N
N1 Cs2 N2 75.07(11) 102_464 . 102_464 N
N1 Cs2 C21 113.7(4) 102_464 . 1_555 N
N1 Cs2 C26 134.3(4) 102_464 . 1_555 N
N2 Cs2 C21 126.7(5) 102_464 . 1_555 N
N2 Cs2 C26 114.2(5) 102_464 . 1_555 N
Cs2 C21 N2 98.48(24) 1_555 . 1_555 N
Cs2 C21 C22 89.88(27) 1_555 . 1_555 N
Cs2 C21 C23 85.37(26) 1_555 . 1_555 N
Cs2 C21 C24 82.12(24) 1_555 . 1_555 N
Cs2 C21 C25 80.99(23) 1_555 . 1_555 N
Cs2 C21 C26 82.31(24) 1_555 . 1_555 N
Cs2 C21 C27 99.08(23) 1_555 . 1_555 N
Cs2 C21 C28 95.72(26) 1_555 . 1_555 N
Cs2 C21 H23 86.51(26) 1_555 . 1_555 N
Cs2 C21 H25 81.10(23) 1_555 . 1_555 N
Cs2 C21 H26 84.84(26) 1_555 . 1_555 N
N2 C21 C22 113.26 1_555 . 1_555 N
N2 C21 C26 127.11 1_555 . 1_555 N
Cs1 C22 N2 91.52 2_475 . 1_555 N
Cs1 C22 C21 85.54 2_475 . 1_555 N
Cs1 C22 C23 83.64 2_475 . 1_555 N
Cs1 C22 C24 80.02 2_475 . 1_555 N
Cs1 C22 C25 79.08 2_475 . 1_555 N
Cs1 C22 C26 81.10 2_475 . 1_555 N
Cs1 C22 C27 97.09 2_475 . 1_555 N
Cs1 C22 C28 100.32 2_475 . 1_555 N
Cs1 C22 C29 100.17 2_475 . 1_555 N
C21 C22 C23 119.67 1_555 . 1_555 N
C21 C22 C28 104.74 1_555 . 1_555 N
Cs1 C23 C8 76.38 2_475 . 101_454 N
Cs1 C23 C21 70.74 2_475 . 1_555 N
Cs1 C23 C22 72.75 2_475 . 1_555 N
Cs1 C23 C24 91.12 2_475 . 1_555 N
Cs1 C23 C25 81.50 2_475 . 1_555 N
Cs1 C23 C26 74.00 2_475 . 1_555 N
Cs1 C23 C28 77.20 2_475 . 1_555 N
Cs1 C23 C29 83.41 2_475 . 1_555 N
C22 C23 C24 120.02 1_555 . 1_555 N
C23 C24 C25 120.33 1_555 . 1_555 N
C24 C25 C26 120.32 1_555 . 1_555 N
Cs2 C26 N2 77.70 1_555 . 1_555 N
Cs2 C26 C21 73.92 1_555 . 1_555 N
Cs2 C26 C22 73.90 1_555 . 1_555 N
Cs2 C26 C23 78.19 1_555 . 1_555 N
Cs2 C26 C24 85.55 1_555 . 1_555 N
Cs2 C26 C25 94.02 1_555 . 1_555 N
C21 C26 C25 120.03 1_555 . 1_555 N
N2 C27 C28 113.26 1_555 . 1_555 N
N2 C27 C32 127.11 1_555 . 1_555 N
C22 C28 C27 104.75 1_555 . 1_555 N
C22 C28 C29 135.58 1_555 . 1_555 N
C28 C29 C30 120.02 1_555 . 1_555 N
C29 C30 C31 120.32 1_555 . 1_555 N
Cs1 C31 C27 80.06 1_555 . 1_555 N
Cs1 C31 C28 79.36 1_555 . 1_555 N
Cs1 C31 C29 81.56 1_555 . 1_555 N
Cs1 C31 C30 85.98 1_555 . 1_555 N
Cs1 C31 C32 83.46 1_555 . 1_555 N
C30 C31 C32 120.32 1_555 . 1_555 N
C27 C32 C31 120.04 1_555 . 1_555 N
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
Cs1 N1 3.1595(24) . 102_564 N
Cs1 C4 3.442(8) . 1_555 N
Cs1 C5 3.470(5) . 1_555 N
Cs1 C22 3.338(5) . 2_575 N
Cs1 C23 3.473(5) . 2_575 N
Cs1 C31 3.462(7) . 1_555 N
N1 C1 1.3696 . 1_555 N
N1 C7 1.3697 . 1_555 N
C1 C2 1.4296 . 1_555 N
C1 C6 1.3996 . 1_555 N
C2 C1 1.4296 . 1_555 N
C2 C3 1.3997 . 1_555 N
C2 C8 1.4303 . 1_555 N
C3 C2 1.3997 . 1_555 N
C3 C4 1.4002 . 1_555 N
C3 H3 0.9600 . 1_555 N
C4 C3 1.4002 . 1_555 N
C4 C5 1.4005 . 1_555 N
C4 H4 0.9600 . 1_555 N
C5 C4 1.4005 . 1_555 N
C5 C6 1.4002 . 1_555 N
C5 H5 0.9600 . 1_555 N
C6 C1 1.3996 . 1_555 N
C6 C5 1.4002 . 1_555 N
C6 H6 0.9600 . 1_555 N
C7 N1 1.3697 . 1_555 N
C7 C8 1.4297 . 1_555 N
C7 C12 1.3997 . 1_555 N
C8 C2 1.4303 . 1_555 N
C8 C7 1.4297 . 1_555 N
C8 C9 1.3997 . 1_555 N
C9 C8 1.3997 . 1_555 N
C9 C10 1.4001 . 1_555 N
C9 H9 0.9600 . 1_555 N
C10 C9 1.4001 . 1_555 N
C10 C11 1.4005 . 1_555 N
C10 H10 0.9600 . 1_555 N
C11 C10 1.4005 . 1_555 N
C11 C12 1.4004 . 1_555 N
C11 H11 0.9600 . 1_555 N
C12 C7 1.3997 . 1_555 N
C12 C11 1.4004 . 1_555 N
C12 H12 0.9600 . 1_555 N
Cs2 N1 3.152(9) . 102_564 N
Cs2 N2 3.283(9) . 102_564 N
Cs2 C21 3.337(7) . 1_555 N
Cs2 C26 3.441(8) . 1_555 N
N2 C21 1.3696 . 1_555 N
N2 C27 1.3696 . 1_555 N
C21 C22 1.4296 . 1_555 N
C21 C26 1.3997 . 1_555 N
C22 C21 1.4296 . 1_555 N
C22 C23 1.3996 . 1_555 N
C22 C28 1.4303 . 1_555 N
C23 C22 1.3996 . 1_555 N
C23 C24 1.4001 . 1_555 N
C23 H23 0.9600 . 1_555 N
C24 C23 1.4001 . 1_555 N
C24 C25 1.4005 . 1_555 N
C24 H24 0.9600 . 1_555 N
C25 C24 1.4005 . 1_555 N
C25 C26 1.4002 . 1_555 N
C25 H25 0.9600 . 1_555 N
C26 C21 1.3997 . 1_555 N
C26 C25 1.4002 . 1_555 N
C26 H26 0.9600 . 1_555 N
C27 N2 1.3696 . 1_555 N
C27 C28 1.4295 . 1_555 N
C27 C32 1.3997 . 1_555 N
C28 C22 1.4303 . 1_555 N
C28 C27 1.4295 . 1_555 N
C28 C29 1.3997 . 1_555 N
C29 C28 1.3997 . 1_555 N
C29 C30 1.4003 . 1_555 N
C29 H29 0.9600 . 1_555 N
C30 C29 1.4003 . 1_555 N
C30 C31 1.4005 . 1_555 N
C30 H30 0.9600 . 1_555 N
C31 C30 1.4005 . 1_555 N
C31 C32 1.4002 . 1_555 N
C31 H31 0.9600 . 1_555 N
C32 C27 1.3997 . 1_555 N
C32 C31 1.4002 . 1_555 N
C32 H32 0.9600 . 1_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
236.0 . . .
228.0 0.002112 245.41614 0.0
238.0 0.002068 245.42226 0.0
222.0 0.002139 245.42839 0.0
236.0 0.002077 245.43451 0.0
257.0 0.001990 245.44064 0.0
271.0 0.001936 245.44676 0.0
242.0 0.002051 245.45290 0.0
251.0 0.002014 245.45901 0.0
258.0 0.001986 245.46515 0.0
239.0 0.002064 245.47128 0.0
289.0 0.001871 245.47740 0.0
222.0 0.002138 245.48354 0.0
261.0 0.001974 245.48965 0.0
254.0 0.002001 245.49579 0.0
261.0 0.001974 245.50191 0.0
238.0 0.002068 245.50804 0.0
263.0 0.001966 245.51416 0.0
240.0 0.002059 245.52029 0.0
244.0 0.002042 245.52643 0.0
251.0 0.002013 245.53255 0.0
246.0 0.002034 245.53868 0.0
233.0 0.002089 245.54480 0.0
214.0 0.002175 245.55093 0.0
229.0 0.002107 245.55705 0.0
248.0 0.002026 245.56319 0.0
228.0 0.002111 245.56932 0.0
229.0 0.002107 245.57544 0.0
239.0 0.002063 245.58157 0.0
257.0 0.001989 245.58769 0.0
246.0 0.002034 245.59383 0.0
258.0 0.001985 245.59995 0.0
245.0 0.002038 245.60608 0.0
250.0 0.002017 245.61220 0.0
247.0 0.002029 245.61833 0.0
254.0 0.002001 245.62447 0.0
259.0 0.001981 245.63058 0.0
228.0 0.002111 245.63672 0.0
264.0 0.001962 245.64284 0.0
229.0 0.002106 245.64897 0.0
227.0 0.002115 245.65509 0.0
279.0 0.001905 245.66122 0.0
280.0 0.001902 245.66734 0.0
255.0 0.001997 245.67348 0.0
210.0 0.002194 245.67961 0.0
243.0 0.002046 245.68573 0.0
251.0 0.002013 245.69186 0.0
256.0 0.001993 245.69798 0.0
248.0 0.002025 245.70412 0.0
248.0 0.002025 245.71024 0.0
243.0 0.002046 245.71637 0.0
255.0 0.001997 245.72249 0.0
272.0 0.001931 245.72862 0.0
248.0 0.002025 245.73476 0.0
259.0 0.001981 245.74088 0.0
245.0 0.002037 245.74701 0.0
242.0 0.002050 245.75313 0.0
256.0 0.001992 245.75926 0.0
267.0 0.001950 245.76538 0.0
245.0 0.002037 245.77151 0.0
262.0 0.001969 245.77763 0.0
278.0 0.001909 245.78377 0.0
241.0 0.002054 245.78990 0.0
273.0 0.001927 245.79602 0.0
262.0 0.001969 245.80215 0.0
246.0 0.002033 245.80827 0.0
253.0 0.002004 245.81441 0.0
232.0 0.002092 245.82053 0.0
275.0 0.001920 245.82666 0.0
268.0 0.001946 245.83278 0.0
260.0 0.001976 245.83891 0.0
242.0 0.002049 245.84505 0.0
224.0 0.002128 245.85117 0.0
231.0 0.002096 245.85730 0.0
262.0 0.001969 245.86342 0.0
266.0 0.001953 245.86955 0.0
255.0 0.001996 245.87567 0.0
241.0 0.002053 245.88181 0.0
239.0 0.002062 245.88794 0.0
260.0 0.001976 245.89406 0.0
261.0 0.001972 245.90019 0.0
241.0 0.002053 245.90631 0.0
244.0 0.002041 245.91245 0.0
241.0 0.002053 245.91856 0.0
250.0 0.002016 245.92470 0.0
265.0 0.001957 245.93082 0.0
261.0 0.001972 245.93695 0.0
251.0 0.002012 245.94308 0.0
259.0 0.001980 245.94920 0.0
222.0 0.002136 245.95534 0.0
255.0 0.001996 245.96146 0.0
257.0 0.001988 245.96759 0.0
237.0 0.002070 245.97371 0.0
260.0 0.001976 245.97984 0.0
250.0 0.002016 245.98596 0.0
261.0 0.001972 245.99210 0.0
232.0 0.002091 245.99823 0.0
257.0 0.001988 246.00435 0.0
247.0 0.002028 246.01048 0.0
246.0 0.002032 246.01660 0.0
239.0 0.002061 246.02274 0.0
251.0 0.002011 246.02885 0.0
272.0 0.001930 246.03499 0.0
255.0 0.001995 246.04111 0.0
263.0 0.001964 246.04724 0.0
256.0 0.001991 246.05338 0.0
269.0 0.001941 246.05949 0.0
257.0 0.001987 246.06563 0.0
225.0 0.002122 246.07175 0.0
255.0 0.001995 246.07788 0.0
279.0 0.001904 246.08400 0.0
242.0 0.002048 246.09013 0.0
244.0 0.002040 246.09625 0.0
246.0 0.002032 246.10239 0.0
273.0 0.001926 246.10852 0.0
247.0 0.002027 246.11464 0.0
274.0 0.001922 246.12077 0.0
264.0 0.001960 246.12689 0.0
269.0 0.001941 246.13303 0.0
278.0 0.001907 246.13914 0.0
246.0 0.002031 246.14528 0.0
248.0 0.002023 246.15140 0.0
251.0 0.002011 246.15753 0.0
263.0 0.001963 246.16367 0.0
222.0 0.002135 246.16978 0.0
260.0 0.001975 246.17592 0.0
222.0 0.002135 246.18204 0.0
237.0 0.002069 246.18817 0.0
253.0 0.002003 246.19429 0.0
239.0 0.002060 246.20042 0.0
243.0 0.002044 246.20656 0.0
254.0 0.001999 246.21268 0.0
266.0 0.001952 246.21881 0.0
240.0 0.002056 246.22493 0.0
252.0 0.002007 246.23106 0.0
248.0 0.002023 246.23718 0.0
215.0 0.002167 246.24332 0.0
276.0 0.001914 246.24944 0.0
244.0 0.002039 246.25557 0.0
262.0 0.001967 246.26170 0.0
249.0 0.002019 246.26782 0.0
259.0 0.001979 246.27396 0.0
248.0 0.002023 246.28008 0.0
262.0 0.001967 246.28621 0.0
282.0 0.001892 246.29233 0.0
264.0 0.001959 246.29846 0.0
285.0 0.001882 246.30458 0.0
236.0 0.002073 246.31071 0.0
246.0 0.002031 246.31685 0.0
286.0 0.001878 246.32297 0.0
247.0 0.002026 246.32910 0.0
216.0 0.002162 246.33522 0.0
245.0 0.002035 246.34135 0.0
265.0 0.001955 246.34747 0.0
253.0 0.002002 246.35361 0.0
210.0 0.002191 246.35973 0.0
243.0 0.002043 246.36586 0.0
227.0 0.002112 246.37199 0.0
239.0 0.002060 246.37811 0.0
244.0 0.002039 246.38425 0.0
246.0 0.002030 246.39037 0.0
244.0 0.002039 246.39650 0.0
241.0 0.002051 246.40262 0.0
250.0 0.002014 246.40875 0.0
242.0 0.002047 246.41487 0.0
228.0 0.002107 246.42101 0.0
255.0 0.001994 246.42714 0.0
257.0 0.001986 246.43326 0.0
284.0 0.001885 246.43939 0.0
252.0 0.002006 246.44551 0.0
240.0 0.002055 246.45164 0.0
250.0 0.002014 246.45776 0.0
243.0 0.002042 246.46390 0.0
248.0 0.002022 246.47002 0.0
247.0 0.002026 246.47615 0.0
235.0 0.002076 246.48228 0.0
248.0 0.002022 246.48840 0.0
235.0 0.002076 246.49454 0.0
238.0 0.002063 246.50066 0.0
224.0 0.002125 246.50679 0.0
275.0 0.001917 246.51291 0.0
256.0 0.001989 246.51904 0.0
245.0 0.002034 246.52518 0.0
247.0 0.002026 246.53130 0.0
239.0 0.002059 246.53743 0.0
239.0 0.002059 246.54355 0.0
249.0 0.002017 246.54968 0.0
230.0 0.002098 246.55580 0.0
259.0 0.001977 246.56194 0.0
240.0 0.002055 246.56805 0.0
258.0 0.001981 246.57419 0.0
254.0 0.001997 246.58032 0.0
260.0 0.001973 246.58644 0.0
244.0 0.002038 246.59258 0.0
254.0 0.001997 246.59869 0.0
254.0 0.001997 246.60483 0.0
261.0 0.001969 246.61095 0.0
233.0 0.002084 246.61708 0.0
238.0 0.002063 246.62320 0.0
208.0 0.002199 246.62933 0.0
245.0 0.002033 246.63547 0.0
250.0 0.002013 246.64159 0.0
269.0 0.001939 246.64772 0.0
260.0 0.001973 246.65384 0.0
250.0 0.002013 246.65997 0.0
276.0 0.001913 246.66609 0.0
267.0 0.001946 246.67223 0.0
245.0 0.002033 246.67834 0.0
257.0 0.001985 246.68448 0.0
247.0 0.002025 246.69061 0.0
254.0 0.001997 246.69673 0.0
251.0 0.002009 246.70287 0.0
227.0 0.002110 246.70898 0.0
269.0 0.001939 246.71512 0.0
261.0 0.001969 246.72124 0.0
256.0 0.001989 246.72737 0.0
213.0 0.002175 246.73349 0.0
232.0 0.002088 246.73962 0.0
255.0 0.001993 246.74576 0.0
260.0 0.001973 246.75188 0.0
249.0 0.002017 246.75801 0.0
239.0 0.002058 246.76413 0.0
219.0 0.002146 246.77026 0.0
251.0 0.002008 246.77638 0.0
264.0 0.001957 246.78252 0.0
256.0 0.001988 246.78864 0.0
230.0 0.002097 246.79477 0.0
258.0 0.001980 246.80090 0.0
251.0 0.002008 246.80702 0.0
230.0 0.002097 246.81316 0.0
262.0 0.001965 246.81927 0.0
254.0 0.001996 246.82541 0.0
249.0 0.002016 246.83153 0.0
252.0 0.002004 246.83766 0.0
263.0 0.001961 246.84380 0.0
227.0 0.002110 246.84991 0.0
238.0 0.002062 246.85605 0.0
262.0 0.001965 246.86217 0.0
242.0 0.002045 246.86830 0.0
261.0 0.001968 246.87442 0.0
248.0 0.002020 246.88055 0.0
239.0 0.002058 246.88667 0.0
241.0 0.002049 246.89281 0.0
232.0 0.002088 246.89894 0.0
275.0 0.001916 246.90506 0.0
256.0 0.001988 246.91119 0.0
256.0 0.001988 246.91731 0.0
256.0 0.001988 246.92345 0.0
242.0 0.002045 246.92957 0.0
273.0 0.001923 246.93570 0.0
256.0 0.001988 246.94182 0.0
226.0 0.002114 246.94795 0.0
274.0 0.001919 246.95409 0.0
287.0 0.001872 246.96021 0.0
252.0 0.002004 246.96634 0.0
249.0 0.002016 246.97246 0.0
262.0 0.001964 246.97859 0.0
241.0 0.002049 246.98471 0.0
222.0 0.002132 246.99084 0.0
244.0 0.002036 246.99696 0.0
269.0 0.001937 247.00310 0.0
237.0 0.002066 247.00923 0.0
238.0 0.002061 247.01535 0.0
240.0 0.002053 247.02148 0.0
242.0 0.002044 247.02760 0.0
277.0 0.001908 247.03374 0.0
218.0 0.002150 247.03986 0.0
228.0 0.002104 247.04599 0.0
278.0 0.001904 247.05211 0.0
265.0 0.001952 247.05824 0.0
258.0 0.001979 247.06438 0.0
249.0 0.002015 247.07050 0.0
261.0 0.001968 247.07663 0.0
265.0 0.001952 247.08275 0.0
265.0 0.001952 247.08888 0.0
274.0 0.001919 247.09500 0.0
243.0 0.002040 247.10114 0.0
230.0 0.002095 247.10725 0.0
237.0 0.002065 247.11339 0.0
238.0 0.002061 247.11952 0.0
255.0 0.001991 247.12564 0.0
248.0 0.002019 247.13177 0.0
248.0 0.002019 247.13789 0.0
251.0 0.002007 247.14403 0.0
260.0 0.001971 247.15015 0.0
252.0 0.002003 247.15628 0.0
249.0 0.002015 247.16241 0.0
251.0 0.002007 247.16853 0.0
246.0 0.002027 247.17467 0.0
252.0 0.002003 247.18079 0.0
276.0 0.001911 247.18692 0.0
249.0 0.002015 247.19304 0.0
241.0 0.002048 247.19917 0.0
254.0 0.001995 247.20529 0.0
228.0 0.002104 247.21143 0.0
253.0 0.001999 247.21756 0.0
258.0 0.001979 247.22368 0.0
254.0 0.001995 247.22981 0.0
245.0 0.002031 247.23593 0.0
256.0 0.001987 247.24207 0.0
260.0 0.001971 247.24818 0.0
277.0 0.001907 247.25432 0.0
252.0 0.002002 247.26044 0.0
259.0 0.001975 247.26657 0.0
258.0 0.001979 247.27271 0.0
225.0 0.002117 247.27882 0.0
284.0 0.001882 247.28496 0.0
255.0 0.001990 247.29108 0.0
243.0 0.002039 247.29721 0.0
238.0 0.002060 247.30333 0.0
243.0 0.002039 247.30946 0.0
261.0 0.001967 247.31558 0.0
229.0 0.002099 247.32172 0.0
246.0 0.002027 247.32785 0.0
260.0 0.001971 247.33397 0.0
272.0 0.001925 247.34010 0.0
282.0 0.001889 247.34622 0.0
266.0 0.001947 247.35236 0.0
282.0 0.001889 247.35847 0.0
241.0 0.002047 247.36461 0.0
238.0 0.002060 247.37073 0.0
274.0 0.001918 247.37686 0.0
251.0 0.002006 247.38300 0.0
269.0 0.001936 247.38911 0.0
236.0 0.002068 247.39525 0.0
256.0 0.001986 247.40137 0.0
280.0 0.001896 247.40750 0.0
254.0 0.001994 247.41362 0.0
244.0 0.002034 247.41975 0.0
244.0 0.002034 247.42587 0.0
266.0 0.001947 247.43201 0.0
303.0 0.001816 247.43814 0.0
269.0 0.001936 247.44426 0.0
284.0 0.001881 247.45039 0.0
254.0 0.001994 247.45651 0.0
248.0 0.002018 247.46265 0.0
265.0 0.001951 247.46877 0.0
251.0 0.002006 247.47490 0.0
253.0 0.001998 247.48103 0.0
258.0 0.001978 247.48715 0.0
274.0 0.001917 247.49329 2.83545
271.0 0.001928 247.49940 2.92579
252.0 0.002001 247.50554 3.02061
249.0 0.002014 247.51166 3.12021
261.0 0.001966 247.51779 3.22493
243.0 0.002038 247.52391 3.33513
248.0 0.002018 247.53004 3.45122
244.0 0.002034 247.53618 3.57363
247.0 0.002022 247.54230 3.70284
250.0 0.002009 247.54843 3.83939
268.0 0.001939 247.55455 3.98386
257.0 0.001981 247.56068 4.13690
265.0 0.001950 247.56680 4.29923
263.0 0.001958 247.57294 4.47165
246.0 0.002025 247.57906 4.65504
259.0 0.001973 247.58519 4.85040
263.0 0.001958 247.59132 5.05886
266.0 0.001947 247.59744 5.28166
249.0 0.002013 247.60358 5.52024
267.0 0.001943 247.60970 5.77622
267.0 0.001943 247.61583 6.05143
280.0 0.001895 247.62195 6.34800
263.0 0.001958 247.62808 6.66836
248.0 0.002017 247.63420 7.01536
242.0 0.002042 247.64034 7.39230
258.0 0.001977 247.64647 7.80311
287.0 0.001870 247.65259 8.25254
298.0 0.001832 247.65872 8.74661
311.0 0.001790 247.66484 9.29358
267.0 0.001943 247.67097 9.90633
315.0 0.001777 247.67709 10.60741
296.0 0.001839 247.68323 11.43942
304.0 0.001812 247.68935 12.48314
302.0 0.001819 247.69548 13.88537
302.0 0.001819 247.70161 15.89359
328.0 0.001737 247.70773 18.88835
360.0 0.001645 247.71387 23.39649
365.0 0.001632 247.71999 30.06710
347.0 0.001681 247.72612 39.59886
387.0 0.001575 247.73224 52.62487
422.0 0.001493 247.73837 69.58478
391.0 0.001565 247.74449 90.63962
400.0 0.001543 247.75063 115.67791
455.0 0.001423 247.75676 144.40569
490.0 0.001355 247.76288 176.46893
480.0 0.001374 247.76901 211.55988
506.0 0.001326 247.77513 249.48405
557.0 0.001242 247.78127 290.18585
582.0 0.001205 247.78738 333.74265
634.0 0.001134 247.79352 380.34650
604.0 0.001174 247.79964 430.28546
674.0 0.001085 247.80577 483.93454
780.0 0.000973 247.81190 541.75708
781.0 0.000972 247.81802 604.31927
859.0 0.000903 247.82416 672.31036
918.0 0.000858 247.83028 746.58472
1028.0 0.000784 247.83641 828.21423
1128.0 0.000727 247.84253 918.57764
1179.0 0.000701 247.84866 1019.50061
1317.0 0.000639 247.85480 1133.48438
1471.0 0.000582 247.86092 1264.06897
1566.0 0.000551 247.86705 1416.36072
1866.0 0.000473 247.87317 1597.62903
1987.0 0.000447 247.87930 1817.60242
2317.0 0.000390 247.88542 2087.64282
2683.0 0.0003412 247.89156 2417.56470
3178.0 0.0002919 247.89767 2809.14746
3680.0 0.0002546 247.90381 3246.94751
4033.0 0.0002336 247.90994 3689.81982
4346.0 0.0002177 247.91606 4069.00366
4943.0 0.0001926 247.92220 4298.07666
4792.0 0.0001984 247.92831 4296.01074
4442.0 0.0002132 247.93445 4019.62646
3850.0 0.0002440 247.94057 3494.01318
2905.0 0.0003172 247.94670 2813.46240
2311.0 0.000391 247.95282 2100.28906
1751.0 0.000500 247.95895 1457.56335
1262.0 0.000662 247.96509 945.54358
924.0 0.000853 247.97121 579.92401
728.0 0.001024 247.97734 343.63129
576.0 0.001213 247.98346 203.93199
447.0 0.001439 247.98959 127.11647
397.0 0.001550 247.99571 86.67768
339.0 0.001703 248.00185 65.28315
284.0 0.001879 248.00797 53.14702
309.0 0.001795 248.01410 45.37798
290.0 0.001858 248.02023 39.75362
294.0 0.001844 248.02635 35.31750
276.0 0.001908 248.03249 31.65080
297.0 0.001834 248.03860 28.54771
289.0 0.001862 248.04474 25.88711
272.0 0.001922 248.05086 23.58571
295.0 0.001841 248.05699 21.58082
268.0 0.001937 248.06311 19.82334
290.0 0.001858 248.06924 18.27400
283.0 0.001883 248.07538 16.90106
254.0 0.001991 248.08150 15.67859
286.0 0.001872 248.08763 14.58530
270.0 0.001930 248.09375 13.60351
254.0 0.001991 248.09988 12.71848
259.0 0.001971 248.10600 11.91784
276.0 0.001908 248.11214 11.19114
290.0 0.001858 248.11827 10.52950
302.0 0.001817 248.12439 9.92533
258.0 0.001975 248.13052 9.37213
286.0 0.001872 248.13664 8.86429
282.0 0.001886 248.14278 8.39697
267.0 0.001941 248.14890 7.96593
302.0 0.001817 248.15503 7.56750
264.0 0.001952 248.16115 7.19845
271.0 0.001926 248.16728 6.85595
266.0 0.001944 248.17342 6.53750
248.0 0.002015 248.17953 6.24088
246.0 0.002023 248.18567 5.96414
246.0 0.002023 248.19179 5.70553
234.0 0.002073 248.19792 5.46349
261.0 0.001963 248.20404 5.23663
270.0 0.001929 248.21017 5.02370
262.0 0.001959 248.21629 4.82358
242.0 0.002039 248.22243 4.63525
259.0 0.001971 248.22856 4.45780
283.0 0.001882 248.23468 4.29041
238.0 0.002056 248.24081 4.13233
235.0 0.002069 248.24693 3.98287
269.0 0.001933 248.23866 0.0
221.0 0.002131 248.21599 0.0
271.0 0.001926 248.19330 0.0
296.0 0.001837 248.17062 0.0
272.0 0.001922 248.14795 0.0
231.0 0.002087 248.12527 0.0
255.0 0.001987 248.10258 0.0
254.0 0.001991 248.07991 0.0
235.0 0.002070 248.05724 0.0
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325.0 0.001749 246.69653 51.99415
324.0 0.001752 246.67386 66.97815
378.0 0.001601 246.65117 84.80801
350.0 0.001676 246.62849 105.35436
391.0 0.001568 246.60582 128.45917
418.0 0.001505 246.58315 154.00325
439.0 0.001459 246.56046 181.95131
443.0 0.001450 246.53778 212.37381
509.0 0.001324 246.51511 245.45239
521.0 0.001303 246.49243 281.47919
541.0 0.001270 246.46974 320.86099
550.0 0.001256 246.44707 364.13519
654.0 0.001111 246.42439 412.00604
675.0 0.001085 246.40172 465.41052
775.0 0.000979 246.37903 525.63141
786.0 0.000969 246.35635 594.47266
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2257.0 0.000400 246.08421 2075.58154
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1022.0 0.000789 245.99350 818.97076
768.0 0.000986 245.97083 548.89746
627.0 0.001146 245.94815 349.45557
568.0 0.001229 245.92546 215.52321
379.0 0.001600 245.90279 132.86896
370.0 0.001624 245.88011 85.26048
347.0 0.001687 245.85744 58.99371
340.0 0.001707 245.83475 44.51891
303.0 0.001822 245.81207 36.09766
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281.0 0.001898 245.74403 23.72936
281.0 0.001899 245.72136 21.22579
241.0 0.002055 245.69868 19.11500
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285.0 0.001884 245.65332 15.75028
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272.0 0.001932 245.60797 13.20662
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285.0 0.001885 245.56262 11.23592
253.0 0.002006 245.53993 10.41301
267.0 0.001951 245.51726 9.67785
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260.0 0.001978 245.47191 8.42448
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260.0 0.001979 245.42654 7.40104
282.0 0.001896 245.40387 6.95830
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254.0 0.002003 245.24512 4.73595
261.0 0.001975 245.22244 4.50817
214.0 0.002178 245.19977 4.29652
245.0 0.002040 245.17708 4.09950
289.0 0.001872 245.15440 3.91580
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245.0 0.002040 245.10904 3.58377
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272.0 0.001934 245.04102 3.15995
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269.0 0.001946 244.90494 2.71954
264.0 0.001965 244.88226 2.63757
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270.0 0.001943 244.83690 2.48808
268.0 0.001950 244.81422 2.41999
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246.0 0.002038 244.70084 2.13711
269.0 0.001947 244.67816 2.09081
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284.0 0.001892 244.58745 1.93557
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259.0 0.001986 244.51941 0.37860
254.0 0.002006 244.49673 0.39466
281.0 0.001903 244.47404 0.41178
284.0 0.001893 244.45137 0.43005
240.0 0.002065 244.42870 0.44961
260.0 0.001983 244.40602 0.47055
269.0 0.001948 244.38333 0.49303
276.0 0.001922 244.36066 0.51721
252.0 0.002015 244.33798 0.54326
257.0 0.001995 244.31531 0.57139
227.0 0.002122 244.29262 0.60184
249.0 0.002028 244.26994 0.63487
252.0 0.002015 244.24727 0.67081
243.0 0.002053 244.22459 0.71003
257.0 0.001995 244.20190 0.75294
256.0 0.002000 244.17923 0.80008
279.0 0.001912 244.15656 0.85206
277.0 0.001919 244.13388 0.90966
235.0 0.002088 244.11119 0.97392
232.0 0.002101 244.08852 1.04637
244.0 0.002049 244.06584 1.12944
254.0 0.002008 244.04317 1.22734
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289.0 0.001877 243.97513 1.71186
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269.0 0.001950 243.90709 3.03054
268.0 0.001954 243.88441 3.86977
267.0 0.001958 243.86174 5.00395
291.0 0.001870 243.83905 6.47984
283.0 0.001898 243.81638 8.32638
253.0 0.002013 243.79370 10.55323
255.0 0.002005 243.77103 13.15581
270.0 0.001947 243.74835 16.12435
260.0 0.001986 243.72566 19.45291
266.0 0.001962 243.70299 23.14643
257.0 0.001998 243.68031 27.22543
274.0 0.001932 243.65764 31.72922
267.0 0.001959 243.63495 36.71896
289.0 0.001878 243.61227 42.28277
308.0 0.001813 243.58960 48.54497
285.0 0.001892 243.56693 55.68159
300.0 0.001840 243.54424 63.94262
328.0 0.001750 243.52156 73.67603
351.0 0.001682 243.49889 85.33753
346.0 0.001697 243.47621 99.45226
366.0 0.001641 243.45352 116.48112
410.0 0.001531 243.43085 136.55496
442.0 0.001459 243.40817 159.09485
455.0 0.001432 243.38550 182.43646
490.0 0.001364 243.36281 203.66754
470.0 0.001402 243.34013 218.88791
467.0 0.001408 243.31746 223.99406
457.0 0.001428 243.29478 215.99318
421.0 0.001506 243.27209 194.65991
428.0 0.001490 243.24942 163.42210
391.0 0.001577 243.22675 128.01241
337.0 0.001724 243.20407 93.94229
324.0 0.001763 243.18138 64.96118
305.0 0.001825 243.15871 42.73766
299.0 0.001845 243.13603 27.20163
265.0 0.001969 243.11336 17.19995
265.0 0.001969 243.09067 11.18900
255.0 0.002008 243.06799 7.74172
245.0 0.002049 243.04532 5.78798
248.0 0.002037 243.02264 4.64010
246.0 0.002045 242.99995 3.90793
242.0 0.002062 242.97728 3.39118
273.0 0.001939 242.95461 2.99394
259.0 0.001993 242.93193 2.67121
278.0 0.001920 242.90924 2.40081
248.0 0.002038 242.88657 2.17035
215.0 0.002185 242.86389 1.97184
239.0 0.002076 242.84120 1.79949
256.0 0.002005 242.81853 1.64887
257.0 0.002001 242.79585 1.51648
257.0 0.002001 242.77318 1.39947
270.0 0.001951 242.75049 1.29556
253.0 0.002018 242.72781 1.20285
236.0 0.002090 242.70514 1.11980
265.0 0.001970 242.68246 1.04510
254.0 0.002014 242.65977 0.97766
228.0 0.002125 242.63710 0.91658
268.0 0.001959 242.61443 0.86107
237.0 0.002086 242.59175 0.81048
240.0 0.002073 242.56906 0.76424
247.0 0.002043 242.60490 0.72186
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237.0 0.002084 242.90428 0.58338
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251.0 0.002024 243.12881 0.50419
276.0 0.001927 243.20364 0.48136
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243.0 0.002056 243.50304 0.40401
268.0 0.001955 243.57787 0.38760
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242.0 0.002059 243.72757 0.35765
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248.0 0.002030 244.77538 0.21983
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243.0 0.002050 244.99991 0.20083
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224.0 0.002124 247.09554 0.0
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285.0 0.001879 247.24522 0.0
254.0 0.001995 247.32007 0.0
279.0 0.001900 247.39491 0.0
253.0 0.001999 247.46976 0.0
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249.0 0.002012 248.14336 0.0
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242.0 0.002034 249.78990 0.00056
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282.0 0.001880 250.08928 0.00062
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254.0 0.001983 250.38866 0.00070
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256.0 0.001975 250.61319 0.00076
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249.0 0.002001 250.83772 0.00084
273.0 0.001909 250.91257 0.00087
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271.0 0.001908 253.23273 0.00375
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249.0 0.001991 253.45726 0.00474
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247.0 0.001998 253.60695 0.00571
259.0 0.001951 253.68179 0.00639
234.0 0.002051 253.75664 0.00729
234.0 0.002051 253.83147 0.00849
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262.0 0.001938 254.13084 0.01950
243.0 0.002012 254.20569 0.02470
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247.0 0.001995 254.35539 0.94153
223.0 0.002095 254.43022 0.97836
261.0 0.001940 254.50507 1.01795
248.0 0.001990 254.57991 1.06047
201.0 0.002195 254.65475 1.10613
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229.0 0.002068 254.80444 1.20841
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254.0 0.001965 255.02898 1.39938
253.0 0.001969 255.10382 1.47710
256.0 0.001957 255.17867 1.56356
255.0 0.001960 255.25351 1.65895
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256.0 0.001956 255.40320 1.86938
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257.0 0.001951 255.77742 2.23613
233.0 0.002046 255.85226 2.24648
255.0 0.001958 255.92711 2.24992
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242.0 0.002008 256.07678 2.28334
242.0 0.002008 256.15164 2.32775
281.0 0.001862 256.22647 2.39392
267.0 0.001911 256.30133 2.48106
262.0 0.001930 256.37616 2.58723
259.0 0.001941 256.45102 2.71041
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255.0 0.001955 256.60071 3.00317
266.0 0.001914 256.67554 3.17255
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277.0 0.001873 256.97491 4.03465
239.0 0.002016 257.04977 4.30861
248.0 0.001980 257.12460 4.61297
311.0 0.001760 257.19946 4.95279
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264.0 0.001919 257.34912 5.76889
248.0 0.001979 257.42398 6.27114
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286.0 0.001840 257.72336 9.99966
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317.0 0.001740 257.94788 19.61579
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322.0 0.001724 258.09756 35.28970
329.0 0.001703 258.17242 47.50547
316.0 0.001742 258.24725 63.17848
374.0 0.001582 258.32211 82.52720
354.0 0.001633 258.39694 105.66442
405.0 0.001507 258.47180 132.69063
385.0 0.001554 258.54663 163.80325
470.0 0.001373 258.62149 199.40799
485.0 0.001345 258.69632 240.23701
530.0 0.001268 258.77118 287.48901
573.0 0.001202 258.84601 342.99802
644.0 0.001108 258.92087 409.38467
712.0 0.001030 258.99570 490.03778
840.0 0.000910 259.07056 588.63354
986.0 0.000803 259.14539 707.83441
1138.0 0.000716 259.22025 847.00000
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1407.0 0.000600 259.36993 1149.67468
1537.0 0.000557 259.44476 1274.70593
1550.0 0.000553 259.51959 1346.75415
1597.0 0.000539 259.59445 1341.39612
1474.0 0.000577 259.66931 1247.88257
1245.0 0.000665 259.74414 1078.10693
1065.0 0.000755 259.81897 864.34558
902.0 0.000861 259.89383 644.59039
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241.0 . . .
239.0 . . .
216.0 . . .
217.0 . . .
247.0 . . .
226.0 . . .
257.0 . . .
220.0 . . .
218.0 . . .
227.0 . . .
