#------------------------------------------------------------------------------
#$Date: 2025-07-01 14:08:21 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1199 $
#$URL: svn://localhost/testcod/cif/4/10/00/4100009.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_4100009
loop_
_publ_author_name
'Tian, Di'
'Winter, Stephen M.'
'Mailman, Aaron'
'Wong, Joanne W. L.'
'Yong, Wenjun'
'Yamaguchi, Hiroshi'
'Jia, Yating'
'Tse, John S.'
'Desgreniers, Serge'
'Secco, Richard A.'
'Julian, Stephen R.'
'Jin, Changqing'
'Mito, Masaki'
'Ohishi, Yasuo'
'Oakley, Richard T.'
_publ_section_title
;
 The Metallic State in Neutral Radical Conductors: Dimensionality,
 Pressure and Multiple Orbital Effects
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14136
_journal_page_last               14148
_journal_paper_doi               10.1021/jacs.5b08254
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C12 H5 N2 O S4'
_chemical_formula_sum            'C12 H5 N2 O S4'
_chemical_formula_weight         321.42
_chemical_name_common            PhBBO
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2015-03-16T13:26
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2015-03-16T13:26  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.82889(18)
_cell_length_b                   10.7665(5)
_cell_length_c                   14.6183(14)
_cell_measurement_temperature    293(2)
_cell_volume                     917.40(10)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'SPring-8 BL10XU'
_diffrn_radiation_polarisn_ratio 0.95
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.41244
_diffrn_source                   synchrotron
_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.
;
_pd_block_id                     'SPring-8 PXRD for 2 (R = Ph) at 7.7 GPa'
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        28.23
_pd_meas_2theta_range_min        1.0
_pd_meas_number_of_points        2724
_pd_phase_name
'from C:/GSAS/MyWork/PhBBO/017/PhBBO_017.2_2015_fix.cif'
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        28.2298
_pd_proc_2theta_range_min        0.9998
_pd_proc_info_datetime           2015-03-16T13:26:50
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  6 terms.
 Shifted Chebyshev function of 1st kind
      1:    32802.3     2:    19587.9     3:   -894.290     4:   -110.497    
      5:   -117.350     6:    19.7243    
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =  410.903 #2(GV)   =  -16.288 #3(GW)   =    0.890
 #4(LX)   =    1.259 #5(LY)   =   32.889 #6(trns) =   -0.801
 #7(asym) =  -0.0106 #8(shft) =   0.0629 #9(GP)   =    0.000
 #10(stec)=    41.64 #11(ptec)=    -0.42 #12(sfec)=     0.00
 #13(L11) =    0.014 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =   -0.004 #17(L13) =    0.012 #18(L23) =    0.000
 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        0.0033
_pd_proc_ls_prof_wR_expected     0.0054
_pd_proc_ls_prof_wR_factor       0.0045
_pd_proc_number_of_points        2724
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   0.85
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.12764
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.694
_reflns_d_resolution_low         8.669
_reflns_limit_h_max              3
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              9
_reflns_limit_l_min              0
_reflns_number_total             140
_cod_data_source_file            ja5b08254_si_010.cif
_cod_data_source_block           2(R=Ph)_at_7.7GPa
_cod_original_cell_volume        917.40(7)
_cod_database_code               4100009
_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+1/2,-z
3 -x,+y+1/2,-z+1/2
4 -x+1/2,-y,+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
S S1 -0.04795 -0.38521 -0.31872 1.0 Uiso 0.00032 4
S S2 -0.04548 -0.18991 -0.32406 1.0 Uiso 0.00032 4
S S3 -0.06803 -0.09125 -0.77944 1.0 Uiso 0.00032 4
S S4 -0.06779 0.02834 -0.66727 1.0 Uiso 0.00032 4
O O1 -0.03423 -0.43376 -0.61833 1.0 Uiso 0.00032 4
N N1 -0.04696 -0.41497 -0.42838 1.0 Uiso 0.00032 4
N N2 -0.05791 -0.2216 -0.72515 1.0 Uiso 0.00032 4
C C1 -0.0436 -0.33132 -0.58222 1.0 Uiso 0.00032 4
C C2 -0.05518 -0.21494 -0.6349 1.0 Uiso 0.00032 4
C C3 -0.06099 -0.096 -0.59042 1.0 Uiso 0.00032 4
C C4 -0.05764 -0.08256 -0.49562 1.0 Uiso 0.00032 4
C C5 -0.04779 -0.19291 -0.44337 1.0 Uiso 0.00032 4
C C6 -0.04548 -0.31426 -0.48174 1.0 Uiso 0.00032 4
C C7 -0.07184 0.0421 -0.4524 1.0 Uiso 0.00032 4
C C8 -0.2688 0.11374 -0.46352 1.0 Uiso 0.00032 4
H H8A -0.3917 0.0826 -0.4969 1.0 Uiso 0.00032 4
C C9 -0.28292 0.23183 -0.42489 1.0 Uiso 0.00032 4
H H9A -0.41545 0.279 -0.43166 1.0 Uiso 0.00032 4
C C10 -0.09732 0.27838 -0.37633 1.0 Uiso 0.00032 4
H H10A -0.10477 0.35763 -0.35123 1.0 Uiso 0.00032 4
C C11 0.09638 0.20833 -0.36499 1.0 Uiso 0.00032 4
H H11A 0.21963 0.24032 -0.33215 1.0 Uiso 0.00032 4
C C12 0.11031 0.08951 -0.40233 1.0 Uiso 0.00032 4
H H12A 0.24184 0.04193 -0.39364 1.0 Uiso 0.00032 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
S 16.0 0.000 0.000 6.90530 1.46790 5.20340 22.2151 1.43790 0.25360 1.58630
56.1720 0.86690 International_Tables_Vol_C
O 4.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 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 48.0 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 20.0 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
S2 S1 N1 99.1754(14) 1_555 . 1_555 N
S1 S2 C5 91.06210(30) 1_555 . 1_555 N
S4 S3 N2 98.645(5) 1_555 . 1_555 N
S3 S4 C3 91.863(6) 1_555 . 1_555 N
S1 N1 C6 114.428(4) 1_555 . 1_555 N
S3 N2 C2 116.3842(29) 1_555 . 1_555 N
O1 C1 C2 122.913(5) 1_555 . 1_555 N
O1 C1 C6 122.6887(16) 1_555 . 1_555 N
C2 C1 C6 114.3975(34) 1_555 . 1_555 N
N2 C2 C1 118.4648(30) 1_555 . 1_555 N
N2 C2 C3 120.0003(21) 1_555 . 1_555 N
C1 C2 C3 121.532(5) 1_555 . 1_555 N
S4 C3 C2 113.098(5) 1_555 . 1_555 N
S4 C3 C4 124.050(4) 1_555 . 1_555 N
C2 C3 C4 122.8442(18) 1_555 . 1_555 N
C3 C4 C5 116.7853(33) 1_555 . 1_555 N
C3 C4 C7 121.0598(17) 1_555 . 1_555 N
C5 C4 C7 122.123(5) 1_555 . 1_555 N
S2 C5 C4 121.6665(28) 1_555 . 1_555 N
S2 C5 C6 114.2889(21) 1_555 . 1_555 N
C4 C5 C6 124.022(5) 1_555 . 1_555 N
N1 C6 C1 118.605(4) 1_555 . 1_555 N
N1 C6 C5 121.028(5) 1_555 . 1_555 N
C1 C6 C5 120.3644(14) 1_555 . 1_555 N
C4 C7 C8 119.7768(19) 1_555 . 1_555 N
C4 C7 C12 120.9469(16) 1_555 . 1_555 N
C8 C7 C12 119.2654(23) 1_555 . 1_555 N
C7 C8 H8A 119.7979(23) 1_555 . 1_555 N
C7 C8 C9 120.4430(18) 1_555 . 1_555 N
H8A C8 C9 119.7591(16) 1_555 . 1_555 N
C8 C9 H9A 120.2822(18) 1_555 . 1_555 N
C8 C9 C10 119.3906(16) 1_555 . 1_555 N
H9A C9 C10 120.3272(23) 1_555 . 1_555 N
C9 C10 H10A 119.7954(15) 1_555 . 1_555 N
C9 C10 C11 120.4231(23) 1_555 . 1_555 N
H10A C10 C11 119.7813(18) 1_555 . 1_555 N
C10 C11 H11A 119.7289(23) 1_555 . 1_555 N
C10 C11 C12 120.4571(18) 1_555 . 1_555 N
H11A C11 C12 119.8140(16) 1_555 . 1_555 N
C7 C12 C11 120.0055(16) 1_555 . 1_555 N
C7 C12 H12A 120.0021(23) 1_555 . 1_555 N
C11 C12 H12A 119.9924(19) 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
S1 S2 2.10420(10) . 1_555 N
S1 N1 1.63476(15) . 1_555 N
S2 S1 2.10420(10) . 1_555 N
S2 C5 1.74446(16) . 1_555 N
S3 S4 2.08484(13) . 1_555 N
S3 N2 1.61335(7) . 1_555 N
S4 S3 2.08484(13) . 1_555 N
S4 C3 1.74808(8) . 1_555 N
O1 C1 1.22395(5) . 1_555 N
N1 S1 1.63476(15) . 1_555 N
N1 C6 1.33575(6) . 1_555 N
N2 S3 1.61335(7) . 1_555 N
N2 C2 1.32134(12) . 1_555 N
C1 O1 1.22395(5) . 1_555 N
C1 C2 1.47228(6) . 1_555 N
C1 C6 1.48033(14) . 1_555 N
C2 N2 1.32134(12) . 1_555 N
C2 C1 1.47228(6) . 1_555 N
C2 C3 1.43659(6) . 1_555 N
C3 S4 1.74808(8) . 1_555 N
C3 C2 1.43659(6) . 1_555 N
C3 C4 1.39349(13) . 1_555 N
C4 C3 1.39349(13) . 1_555 N
C4 C5 1.41359(6) . 1_555 N
C4 C7 1.48573(6) . 1_555 N
C5 S2 1.74446(16) . 1_555 N
C5 C4 1.41359(6) . 1_555 N
C5 C6 1.42189(6) . 1_555 N
C6 N1 1.33575(6) . 1_555 N
C6 C1 1.48033(14) . 1_555 N
C6 C5 1.42189(6) . 1_555 N
C7 C4 1.48573(6) . 1_555 N
C7 C8 1.39262(4) . 1_555 N
C7 C12 1.38692(4) . 1_555 N
C8 C7 1.39262(4) . 1_555 N
C8 H8A 0.929350(30) . 1_555 N
C8 C9 1.39362(6) . 1_555 N
H8A C8 0.929350(30) . 1_555 N
C9 C8 1.39362(6) . 1_555 N
C9 H9A 0.929770(20) . 1_555 N
C9 C10 1.38761(4) . 1_555 N
H9A C9 0.929770(20) . 1_555 N
C10 C9 1.38761(4) . 1_555 N
C10 H10A 0.92981(4) . 1_555 N
C10 C11 1.367870(30) . 1_555 N
H10A C10 0.92981(4) . 1_555 N
C11 C10 1.367870(30) . 1_555 N
C11 H11A 0.930160(30) . 1_555 N
C11 C12 1.39323(6) . 1_555 N
H11A C11 0.930160(30) . 1_555 N
C12 C7 1.38692(4) . 1_555 N
C12 C11 1.39323(6) . 1_555 N
C12 H12A 0.930780(20) . 1_555 N
H12A C12 0.930780(20) . 1_555 N
loop_
_pd_meas_counts_total
_pd_proc_ls_weight
_pd_proc_intensity_bkg_calc
_pd_calc_intensity_total
0.0 0.0 7921.63525 .
0.0 0.0 7967.53906 .
0.0 0.0 8013.38086 .
0.0 0.0 8059.16406 .
0.0 0.0 8104.89111 .
0.0 0.0 8150.55713 .
0.0 0.0 8196.16406 .
0.0 0.0 8241.71680 .
0.0 0.0 8287.20898 .
0.0 0.0 8332.64258 .
0.0 0.0 8378.02246 .
0.0 0.0 8423.34180 .
0.0 0.0 8468.60449 .
0.0 0.0 8513.81348 .
0.0 0.0 8558.96289 .
0.0 0.0 8604.05859 .
0.0 0.0 8649.09473 .
0.0 0.0 8694.07617 .
0.0 0.0 8739.00391 .
0.0 0.0 8783.87402 .
0.0 0.0 8828.68848 .
0.0 0.0 8873.45117 .
0.0 0.0 8918.15625 .
0.0 0.0 8962.80566 .
0.0 0.0 9007.40430 .
0.0 0.0 9051.94531 .
0.0 0.0 9096.43262 .
0.0 0.0 9140.86914 .
0.0 0.0 9185.24902 .
0.0 0.0 9229.57617 .
0.0 0.0 9273.85156 .
0.0 0.0 9318.07227 .
0.0 0.0 9362.24219 .
0.0 0.0 9406.35742 .
0.0 0.0 9450.41992 .
0.0 0.0 9494.43359 .
0.0 0.0 9538.39160 .
0.0 0.0 9582.29883 .
0.0 0.0 9626.15625 .
0.0 0.0 9669.95996 .
0.0 0.0 9713.71289 .
0.0 0.0 9757.41699 .
0.0 0.0 9801.06738 .
0.0 0.0 9844.66797 .
0.0 0.0 9888.22070 .
0.0 0.0 9931.72070 .
0.0 0.0 9975.17285 .
0.0 0.0 10018.57227 .
0.0 0.0 10061.92285 .
0.0 0.0 10105.22656 .
0.0 0.0 10148.47852 .
0.0 0.0 10191.68066 .
0.0 0.0 10234.83789 .
0.0 0.0 10277.94238 .
0.0 0.0 10321.00000 .
0.0 0.0 10364.01074 .
0.0 0.0 10406.97168 .
0.0 0.0 10449.88672 .
0.0 0.0 10492.75195 .
0.0 0.0 10535.56934 .
0.0 0.0 10578.34277 .
0.0 0.0 10621.06641 .
0.0 0.0 10663.74219 .
11255.0 0.0 10706.37500 .
11357.0 0.0 10748.95801 .
11343.0 0.0 10791.49414 .
11275.0 0.0 10833.98730 .
10646.0 0.0 10876.43262 .
10237.0 0.0 10918.83105 .
10068.0 0.0 10961.18750 .
9956.0 0.0 11003.49512 .
10019.0 0.0 11045.75781 .
10163.0 0.0 11087.97754 .
10285.0 0.0 11130.15039 .
10405.0 0.0 11172.27832 .
10531.0 0.0 11214.36523 .
10637.0 0.0 11256.40430 .
10702.0 0.0 11298.39941 .
10814.0 0.0 11340.35352 .
10944.0 0.0 11382.26074 .
11036.0 0.0 11424.12695 .
11127.0 0.0 11465.94727 .
11178.0 0.0 11507.72461 .
11303.0 0.0 11549.46191 .
11373.0 0.0 11591.15332 .
11423.0 0.0 11632.80176 .
11498.0 0.0 11674.41016 .
11518.0 0.0 11715.97461 .
11577.0 0.0 11757.49609 .
11646.0 0.0 11798.97754 .
11719.0 0.0 11840.41602 .
11781.0 0.0 11881.81250 .
11836.0 0.0 11923.16992 .
11914.0 0.0 11964.48340 .
11974.0 0.0 12005.75781 .
12032.0 0.0 12046.98926 .
12077.0 0.0 12088.17969 .
12140.0 0.0 12129.33301 .
12149.0 0.0 12170.44238 .
12202.0 0.0 12211.51172 .
12249.0 0.0 12252.54395 .
12317.0 0.0000812 12293.53320 12293.53320
12349.0 0.0000810 12334.48438 12334.48438
12404.0 0.0000806 12375.39453 12375.39453
12466.0 0.0000802 12416.26660 12416.26660
12535.0 0.0000798 12457.09863 12457.09863
12579.0 0.0000795 12497.89160 12497.89160
12634.0 0.0000792 12538.64648 12538.64648
12702.0 0.0000787 12579.36230 12579.36230
12733.0 0.0000785 12620.03809 12620.03809
12758.0 0.0000784 12660.67773 12660.67773
12795.0 0.0000782 12701.27832 12701.27832
12830.0 0.0000779 12741.83984 12741.83984
12869.0 0.0000777 12782.36621 12782.36621
12934.0 0.0000773 12822.85352 12822.85352
13007.0 0.0000769 12863.30176 12863.30176
13055.0 0.0000766 12903.71387 12903.71387
13098.0 0.0000763 12944.08887 12944.08887
13151.0 0.0000760 12984.42578 12984.42578
13232.0 0.0000756 13024.72656 13024.72656
13263.0 0.0000754 13064.99121 13083.19629
13318.0 0.0000751 13105.21680 13124.13281
13358.0 0.0000749 13145.40820 13165.07617
13410.0 0.0000746 13185.56348 13206.03027
13467.0 0.0000743 13225.68066 13246.99609
13496.0 0.0000741 13265.76367 13287.98145
13522.0 0.0000740 13305.81055 13328.98828
13568.0 0.0000737 13345.82031 13370.02246
13609.0 0.0000735 13385.79590 13411.09180
13659.0 0.0000732 13425.73730 13452.20215
13675.0 0.0000731 13465.64063 13493.35840
13714.0 0.0000729 13505.51172 13534.57227
13746.0 0.0000727 13545.34668 13575.85059
13799.0 0.0000725 13585.14648 13617.20410
13873.0 0.0000721 13624.91211 13658.64453
13888.0 0.0000720 13664.64453 13700.18750
13951.0 0.0000717 13704.34180 13741.84375
13984.0 0.0000715 13744.00391 13783.63184
14008.0 0.0000714 13783.63477 13825.57520
14064.0 0.0000711 13823.22949 13867.68945
14090.0 0.0000710 13862.79199 13910.00586
14133.0 0.0000708 13902.32031 13952.55176
14177.0 0.0000705 13941.81445 13995.36230
14241.0 0.0000702 13981.27637 14038.47949
14315.0 0.0000699 14020.70605 14081.95117
14329.0 0.0000698 14060.10059 14125.83105
14373.0 0.0000696 14099.46484 14170.19238
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21495.0 . . .
965.0 . . .
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_observed_status
_refln_F_squared_meas
_refln_F_squared_calc
_refln_phase_calc
_refln_d_spacing
_gsas_i100_meas
0 1 1 o 3993.289 3720.665 90.00 8.66902 100.00
0 0 2 o 1349.921 854.958 180.00 7.30915 8.89
1 0 1 o 409.261 270.222 90.00 5.41434 1.87
0 1 2 o 162.291 44.710 -90.00 6.04728 2.31
1 0 2 o 199.905 161.953 0.00 4.55720 3.15
1 1 1 o 445.839 422.504 -156.47 4.83713 14.02
0 2 0 o 492.550 445.453 180.00 5.38325 5.90
1 1 0 o 2004.425 1945.195 -90.00 5.12589 16.53
0 2 1 o 6531.635 6346.414 0.00 5.05161 45.70
1 1 2 o 192.512 149.066 21.59 4.19673 5.23
0 1 3 o 1457.866 1379.499 -90.00 4.43927 16.33
1 0 3 o 3185.526 3061.668 -90.00 3.73851 12.52
0 2 2 o 0.063 0.036 180.00 4.33451 0.00
1 2 0 o 245.046 223.566 90.00 3.95471 2.10
1 2 1 o 6430.922 6135.598 102.99 3.81748 62.13
1 1 3 o 350.786 343.206 -123.88 3.53166 3.91
0 0 4 o 4636.231 4323.554 180.00 3.65457 7.63
0 2 3 o 267.030 215.875 180.00 3.61259 1.90
1 2 2 o 2669.067 2531.930 131.51 3.47822 18.05
0 1 4 o 4199.858 3985.098 90.00 3.46064 22.39
1 0 4 o 446.999 351.510 0.00 3.09632 3.01
0 3 1 o 441.907 429.144 90.00 3.48534 0.42
1 1 4 o 5734.725 5491.684 -151.96 2.97571 38.75
1 2 3 o 0.000 38.909 -157.81 3.07066 0.00
0 3 2 o 3035.910 2637.947 -90.00 3.22146 12.43
0 2 4 o 255.401 214.285 0.00 3.02364 0.91
2 0 1 o 8149.872 8143.710 90.00 2.85819 15.78
1 3 1 o 501.077 486.985 160.49 2.99136 2.56
1 3 0 o 83.345 74.174 -90.00 3.05603 1.24
0 3 3 o 133.676 142.575 90.00 2.88967 0.37
2 0 0 o 69564.46 68969.45 0.00 2.91444 75.08
0 1 5 o 2978.779 2935.333 90.00 2.82148 2.65
1 3 2 o 1496.945 1479.349 7.14 2.81951 10.78
2 0 2 o 3755.992 3846.137 -180.00 2.70717 4.29
1 0 5 o 345.831 334.363 90.00 2.61335 1.56
2 1 1 o 16698.627 16835.166 50.27 2.76251 71.70
1 2 4 o 3922.844 3961.037 -94.14 2.68401 17.51
2 1 0 o 18711.031 18521.164 -180.00 2.81320 40.39
2 1 2 o 906.026 848.667 -51.46 2.62545 0.32
1 1 5 o 1384.105 1497.375 -84.77 2.53960 8.80
1 3 3 o 0.000 474.847 110.42 2.58899 0.00
2 0 3 o 3099.176 3095.070 -90.00 2.50120 2.81
0 2 5 o 4693.602 4829.980 0.00 2.56920 12.96
0 4 0 o 1018.697 1011.324 180.00 2.69163 3.05
0 4 1 o 2629.752 2730.774 0.00 2.64713 2.88
2 1 3 o 0.000 1061.929 -117.94 2.43632 0.00
0 3 4 o 895.020 977.306 90.00 2.56062 2.91
0 4 2 o 0.516 0.495 180.00 2.52580 0.00
2 2 1 o 0.000 807.520 20.24 2.52444 0.00
2 2 0 o 107.537 115.270 0.00 2.56294 0.22
0 0 6 o 2216.186 2211.974 0.00 2.43638 1.62
2 2 2 o 1107.601 1159.155 -78.48 2.41857 8.72
1 2 5 o 6302.495 6386.199 -113.99 2.35096 17.70
0 1 6 o 0.000 267.072 90.00 2.37630 0.00
1 3 4 o 8727.155 8849.206 170.57 2.34438 34.56
2 0 4 o 788.481 891.645 -180.00 2.27860 3.11
1 4 0 o 8016.602 7989.488 90.00 2.44367 6.28
1 0 6 o 4296.979 4399.191 0.00 2.24792 8.84
1 4 1 o 2255.191 2211.329 118.55 2.41022 5.23
0 4 3 o 107.454 109.707 0.00 2.35607 0.23
2 1 4 o 228.066 229.208 105.00 2.22922 2.92
2 2 3 o 0.000 1518.519 177.97 2.26832 0.00
0 3 5 o 5656.241 5880.171 -90.00 2.26670 15.21
1 4 2 o 1218.790 1177.648 -118.14 2.31757 0.91
1 1 6 o 9883.431 9774.985 -10.17 2.20047 28.00
0 2 6 o 89.204 90.905 0.00 2.21964 0.25
1 4 3 o 2021.908 2066.379 -9.69 2.18438 5.28
2 3 1 o 0.000 356.302 85.35 2.23578 0.00
2 0 5 o 1007.238 720.176 90.00 2.06407 3.20
0 4 4 o 1633.953 1676.078 180.00 2.16725 2.56
1 3 5 o 917.447 789.740 -139.38 2.11259 6.53
2 3 0 o 1746.541 1781.162 -180.00 2.26240 1.29
2 3 2 o 473.428 486.842 -78.94 2.16123 5.56
2 2 4 o 537.841 422.012 114.07 2.09837 3.66
1 2 6 o 0.000 311.489 48.84 2.07433 0.00
0 1 7 o 0.000 1.624 -90.00 2.05012 0.00
0 5 1 o 3034.030 2089.017 -90.00 2.13031 4.01
2 1 5 o 752.080 725.791 129.31 2.02716 8.79
1 0 7 o 9873.816 9801.550 -90.00 1.96596 23.89
0 3 6 o 217.886 205.912 -90.00 2.01576 0.35
2 3 3 o 499.293 430.544 108.43 2.05201 4.31
1 4 4 o 8184.760 7898.746 -60.74 2.03138 25.75
1 1 7 o 2922.715 3087.812 149.54 1.93398 9.71
0 5 2 o 847.925 582.131 90.00 2.06553 0.47
0 2 7 o 0.697 0.728 0.00 1.94696 0.00
0 4 5 o 3110.227 2957.980 0.00 1.98022 5.46
2 2 5 o 486.504 495.829 -24.55 1.92726 4.36
0 5 3 o 2639.574 2596.550 90.00 1.96956 3.85
2 3 4 o 0.000 1052.714 109.23 1.92363 0.00
1 5 1 o 2553.448 2562.717 -169.95 2.00087 5.57
2 0 6 o 2544.840 2647.534 0.00 1.86926 2.51
1 3 6 o 2511.983 2589.779 -20.10 1.90506 1.10
1 5 0 o 0.000 100.238 -90.00 2.01988 0.00
2 4 0 o 875.177 836.101 180.00 1.97735 1.88
1 2 7 o 0.000 2178.559 63.33 1.84667 0.00
2 1 6 o 45.150 49.652 -101.47 1.84171 0.26
3 0 1 o 0.011 0.011 90.00 1.92603 0.00
2 4 1 o 0.000 1202.777 8.53 1.95951 0.00
3 0 2 o 27.353 29.689 180.00 1.87775 0.01
1 4 5 o 2758.678 2934.497 -118.62 1.87498 5.15
2 4 2 o 250.758 258.293 47.81 1.90874 0.61
1 5 2 o 692.908 728.276 146.73 1.94691 4.02
3 1 1 o 180.032 197.034 49.31 1.89593 0.81
0 1 8 o 0.000 2872.389 -90.00 1.80153 0.00
3 1 0 o 1788.544 1863.891 -90.00 1.91208 3.53
0 0 8 o 3044.855 3998.294 180.00 1.82729 1.26
1 5 3 o 16233.206 16621.121 -0.32 1.86592 22.47
0 5 4 o 23.420 24.200 90.00 1.85522 0.03
3 1 2 o 2079.477 2114.263 56.73 1.84983 8.49
0 4 6 o 211.857 186.873 0.00 1.80630 0.38
2 2 6 o 67.392 82.498 164.02 1.76583 0.19
0 3 7 o 1177.698 1030.250 90.00 1.80498 1.44
3 0 3 o 9.084 7.902 90.00 1.80478 0.00
2 4 3 o 276.214 379.382 -85.99 1.83224 2.23
2 3 5 o 0.000 1431.774 -121.35 1.78925 0.00
1 0 8 o 17.195 19.208 0.00 1.74362 0.06
3 1 3 o 663.887 734.262 121.65 1.77995 1.29
3 2 1 o 443.125 477.244 86.08 1.81345 0.06
0 2 8 o 60.665 56.107 180.00 1.73032 0.08
1 5 4 o 588.410 706.063 87.77 1.76783 1.74
1 3 7 o 0.000 39.039 -103.25 1.72421 0.00
1 1 8 o 1645.538 1628.106 13.33 1.72119 8.60
3 2 0 o 153.535 214.364 90.00 1.82757 0.12
3 0 4 o 1675.430 1663.514 -180.00 1.71558 0.62
2 4 4 o 666.170 647.327 98.27 1.73911 1.13
3 2 2 o 781.033 932.256 154.73 1.77299 0.15
2 0 7 o 1113.294 1061.167 90.00 1.69753 1.24
0 5 5 o 1156.983 1046.046 -90.00 1.73380 1.16
0 6 0 o 5437.232 5109.402 180.00 1.79442 7.26
1 4 6 o 0.000 2255.160 121.36 1.72535 0.00
0 6 1 o 6383.519 6996.381 -180.00 1.78105 8.24
3 2 3 o 0.000 1153.516 10.44 1.71117 0.00
0 6 2 o 24.683 26.446 0.00 1.74267 0.01
3 1 4 o 0.000 2352.784 -144.22 1.69420 0.00
2 5 1 o 1370.394 1393.474 -157.76 1.71985 3.34
2 5 0 o 347.003 303.517 0.00 1.73188 1.17
3 3 1 o 0.000 3.994 70.99 1.69708 0.00
1 6 0 o 0.000 326.850 -90.00 1.71499 0.00
3 3 0 o 1506.955 1434.954 -90.00 1.70863 1.39
1 6 1 o 1199.759 1153.994 -74.21 1.70331 5.27