#------------------------------------------------------------------------------
#$Date: 2020-04-06 01:17:37 +0300 (Mon, 06 Apr 2020) $
#$Revision: 250394 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/33/2243350.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243350
loop_
_publ_author_name
'M'hamedi, Ahmed'
'Batsanov, Andrei S.'
_publ_section_title
;
Phosphorescent mono- and diiridium(III) complexes cyclometalated by
fluorenyl- or phenyl-pyridino ligands with bulky substituents, as
prospective OLED dopants
;
_journal_coeditor_code HB7885
_journal_issue 3
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first 392
_journal_page_last 399
_journal_paper_doi 10.1107/S2056989020001784
_journal_volume 76
_journal_year 2020
_chemical_formula_iupac '[Ir2 (C31 H38 N O)4 (N C O)2], C5 H12'
_chemical_formula_moiety 'C126 H152 Ir2 N6 O6, C5 H12'
_chemical_formula_sum 'C131 H164 Ir2 N6 O6'
_chemical_formula_weight 2303.07
_chemical_name_systematic
'Di-\m~2~-cyanato-bis{bis[9,9-dihexyl-2-(5-methoxypyridin-2-yl)-9H-fluoren-1-yl]iridium} pentane monosolvate'
_space_group_crystal_system monoclinic
_space_group_IT_number 14
_space_group_name_Hall '-P 2ybc'
_space_group_name_H-M_alt 'P 1 21/c 1'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_atom_sites_solution_secondary difmap
_audit_creation_method
;
Olex2 1.3-alpha
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_cell_angle_alpha 90
_cell_angle_beta 108.920(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
_cell_length_a 38.976(6)
_cell_length_b 21.615(3)
_cell_length_c 28.759(4)
_cell_measurement_reflns_used 5377
_cell_measurement_temperature 120
_cell_measurement_theta_max 25.03
_cell_measurement_theta_min 2.18
_cell_volume 22919(6)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 120
_diffrn_detector 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device 'three-circle diffractometer'
_diffrn_measurement_device_type 'Bruker SMART CCD 6000 area detector'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_monochromator graphite
_diffrn_radiation_probe x-ray
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.1429
_diffrn_reflns_av_unetI/netI 0.2122
_diffrn_reflns_limit_h_max 46
_diffrn_reflns_limit_h_min -42
_diffrn_reflns_limit_k_max 25
_diffrn_reflns_limit_k_min -23
_diffrn_reflns_limit_l_max 26
_diffrn_reflns_limit_l_min -34
_diffrn_reflns_number 95765
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 25.275
_diffrn_reflns_theta_min 1.218
_diffrn_source 'sealed X-ray tube'
_diffrn_source_current 35.0
_diffrn_source_power 1.75
_diffrn_source_voltage 50.0
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 2.378
_exptl_absorpt_correction_T_max 1.0000
_exptl_absorpt_correction_T_min 0.8085
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour yellow
_exptl_crystal_density_diffrn 1.335
_exptl_crystal_description plate
_exptl_crystal_F_000 9552
_exptl_crystal_size_max 0.2
_exptl_crystal_size_mid 0.1
_exptl_crystal_size_min 0.01
_refine_diff_density_max 2.801
_refine_diff_density_min -2.196
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 0.966
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 2479
_refine_ls_number_reflns 40676
_refine_ls_number_restraints 2600
_refine_ls_restrained_S_all 0.944
_refine_ls_R_factor_all 0.1809
_refine_ls_R_factor_gt 0.0771
_refine_ls_shift/su_max 0.002
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1468
_refine_ls_wR_factor_ref 0.1845
_reflns_number_gt 19348
_reflns_number_total 40676
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file hb7885sup1.cif
_cod_data_source_block III
_cod_original_cell_volume 22920(6)
_cod_database_code 2243350
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min 0.648
_shelx_estimated_absorpt_t_max 0.977
_shelx_hkl_file
;
0 0 1 -0.20 0.50
0 0 -1 0.00 0.30
0 0 2 698.73 31.80
0 0 -2 683.03 31.80
0 0 2 684.13 31.60
0 0 3 2.60 2.30
0 0 -3 1.70 1.90
0 0 3 -1.60 2.40
0 0 -3 -3.20 2.30
0 0 -4 1.40 2.80
0 0 4 3.30 3.10
0 0 -4 5.80 3.20
0 0 4 3.10 2.80
0 0 5 -7.10 3.50
0 0 5 -2.10 3.40
0 0 -5 0.40 3.70
0 0 -5 -1.30 3.80
0 0 -6 9.70 4.90
0 0 6 5.10 4.20
0 0 6 4.50 4.40
0 0 -6 7.50 4.60
0 0 7 -3.70 4.60
0 0 7 -11.00 4.50
0 0 -7 -0.80 5.20
0 0 -7 -2.90 4.80
0 0 -8 10.50 6.00
0 0 -8 8.10 5.30
0 0 8 9.30 5.40
0 0 -9 -3.00 5.20
0 0 -9 4.30 5.30
0 0 -10 25.30 6.20
0 0 -10 29.70 6.90
0 0 -11 -0.70 5.60
0 0 -11 1.10 5.80
0 0 -12 7.50 6.50
0 0 -12 0.10 6.30
0 0 -13 -7.30 6.40
0 0 -13 2.20 6.50
0 0 -14 98.29 11.30
0 0 -14 83.79 10.40
0 0 -15 -1.10 6.70
0 0 -16 63.59 10.30
0 0 -17 -7.30 7.80
0 0 -18 574.54 33.00
0 0 -19 -8.10 8.30
0 0 -20 13.50 9.80
0 0 -21 -3.90 9.40
0 0 -22 254.77 22.30
0 0 -23 -9.70 10.60
0 0 -24 128.49 18.40
0 0 -25 -2.50 12.10
0 0 -26 14.10 13.40
0 0 -27 13.20 13.00
0 0 -28 14.60 14.90
0 0 -29 -12.00 13.40
0 0 -31 14.00 16.70
0 0 -32 116.99 22.20
0 1 0 1.00 0.80
0 -1 0 0.30 0.70
0 1 -1 180.08 9.50
0 1 1 203.38 9.40
0 -1 1 207.58 9.50
0 1 2 18.00 2.30
0 1 -2 20.60 2.50
0 -1 2 16.90 2.50
0 -1 -2 16.10 2.20
0 1 3 0.20 2.30
0 1 -3 -1.90 2.70
0 -1 -3 5.80 2.50
0 -1 3 -2.00 2.50
0 1 4 59.49 5.10
0 1 -4 65.89 5.60
0 1 4 51.69 5.00
0 -1 -4 56.69 5.10
0 -1 4 68.89 5.60
0 -1 -4 58.59 5.20
0 1 5 36.20 5.10
0 1 5 60.59 4.80
0 1 -5 44.80 5.50
0 -1 -5 54.29 4.70
0 -1 5 54.49 5.90
0 -1 -5 48.50 5.60
0 1 -6 3.90 4.60
0 1 6 7.70 4.10
0 1 6 -1.20 4.00
0 1 -6 0.60 1.50
0 -1 -6 8.90 4.10
0 -1 6 -1.30 4.90
0 -1 -6 0.40 4.90
0 1 7 87.79 7.90
0 1 -7 92.79 8.10
0 1 7 69.19 7.50
0 -1 -7 83.49 8.00
0 -1 7 93.49 8.40
0 -1 -7 72.79 7.90
0 1 -8 424.86 22.30
0 1 -8 435.76 22.90
0 1 8 428.26 21.70
0 1 8 431.36 22.90
0 -1 -8 433.06 21.90
0 -1 8 421.06 22.90
0 -1 -8 417.36 22.80
0 1 -9 505.15 25.90
0 1 -9 496.45 26.30
0 1 9 487.45 25.00
0 -1 -9 506.45 26.30
0 -1 -9 505.55 25.30
0 1 -10 629.44 31.90
0 1 10 637.44 31.00
0 1 -10 618.04 32.30
0 -1 -10 613.14 32.20
0 -1 -10 643.94 31.30
0 1 11 69.19 7.20
0 1 -11 66.79 8.80
0 1 -11 58.49 8.50
0 -1 -11 48.00 8.10
0 -1 -11 61.49 7.70
0 1 -12 21.60 7.40
0 1 -12 15.90 6.90
0 -1 -12 23.50 7.10
0 -1 -12 24.50 6.50
0 1 -13 45.10 8.40
0 -1 -13 53.89 9.00
0 -1 -13 66.59 8.20
0 1 -14 89.39 10.90
0 -1 -14 89.19 10.70
0 -1 -14 94.59 9.70
0 1 -15 29.00 8.50
0 -1 -15 40.70 7.50
0 -1 -15 32.00 8.40
0 1 -16 13.10 7.70
0 -1 -16 10.90 8.00
0 1 -17 12.80 8.40
0 -1 -17 12.20 8.20
0 1 -18 58.29 11.00
0 -1 -18 50.99 10.70
0 1 -19 9.20 9.00
0 -1 -19 27.90 10.00
0 1 -20 11.90 10.30
0 -1 -20 7.60 9.30
0 1 -21 7.10 10.40
0 -1 -21 10.40 10.50
0 1 -22 74.29 14.50
0 -1 -22 78.89 14.20
0 1 -23 38.40 13.30
0 -1 -23 30.60 12.40
0 1 -24 233.58 22.40
0 -1 -24 238.18 22.70
0 1 -25 0.40 11.90
0 -1 -25 -4.10 12.10
0 1 -26 24.80 13.90
0 -1 -26 15.40 13.30
0 1 -27 2.60 13.20
0 -1 -27 -1.30 13.00
0 1 -28 -6.60 13.70
0 -1 -28 30.40 14.80
0 1 -29 -2.70 13.60
0 -1 -29 5.30 15.20
0 1 -30 91.69 20.00
0 -1 -30 107.39 20.30
0 1 -31 85.69 20.00
0 -1 -31 68.89 19.80
0 1 -32 101.29 21.30
0 -1 -32 67.99 20.70
0 2 0 678.73 30.90
0 -2 0 647.74 30.90
0 2 1 4461.45 207.48
0 2 -1 4602.34 212.28
0 -2 1 4400.36 209.38
0 -2 -1 4487.95 207.58
0 2 -2 1.40 2.60
0 2 2 -0.30 2.10
0 -2 2 -0.60 2.50
0 -2 -2 -1.00 2.00
0 2 3 29.80 3.80
0 2 -3 30.90 4.00
0 -2 -3 26.60 3.80
0 -2 3 33.10 4.20
0 2 4 20.30 3.90
0 2 -4 33.60 4.50
0 -2 4 19.40 4.40
0 -2 -4 28.70 4.40
0 2 -5 1.40 4.50
0 2 5 0.30 4.00
0 -2 5 0.10 4.10
0 -2 -5 5.20 4.30
0 2 6 32.70 5.50
0 2 -6 22.30 6.20
0 -2 -6 35.40 5.60
0 -2 6 31.80 6.00
0 2 7 1.70 4.80
0 2 -7 18.60 5.70
0 -2 -7 8.20 5.20
0 -2 7 7.70 5.30
0 2 -8 2.50 3.80
0 2 -8 6.20 5.70
0 2 8 7.10 5.20
0 -2 -8 10.90 5.60
0 -2 8 17.20 5.90
0 2 -9 56.69 7.60
0 -2 -9 51.49 7.50
0 2 -10 -2.50 5.70
0 2 -10 -0.90 1.60
0 -2 -10 1.00 5.90
0 -2 -10 4.70 5.00
0 2 -11 10.60 6.70
0 2 -11 -1.10 3.50
0 -2 -11 10.80 5.30
0 -2 -11 11.00 6.70
0 2 12 13.80 5.40
0 2 -12 32.40 7.90
0 -2 -12 22.90 6.00
0 -2 -12 14.20 7.20
0 2 -13 15.60 7.20
0 2 13 15.60 5.60
0 -2 -13 17.30 7.30
0 2 -14 166.08 14.40
0 2 14 134.59 11.70
0 -2 -14 156.68 13.50
0 2 -15 108.19 12.50
0 -2 -15 105.59 11.90
0 -2 -15 110.49 10.00
0 2 -16 5.60 8.30
0 -2 -16 6.10 7.80
0 2 -17 263.47 20.20
0 -2 -17 271.37 19.90
0 2 -18 44.00 10.30
0 -2 -18 27.40 10.00
0 2 -19 182.68 18.00
0 -2 -19 183.68 17.00
0 2 -20 28.60 11.20
0 -2 -20 30.90 10.50
0 2 -21 80.69 14.60
0 -2 -21 83.49 13.80
0 -2 -22 32.40 12.00
0 2 -23 256.87 23.90
0 -2 -23 247.18 23.40
0 2 -24 -1.80 12.80
0 -2 -24 3.00 13.00
0 2 -25 27.80 14.30
0 -2 -25 24.40 13.50
0 2 -26 -7.80 13.90
0 -2 -26 -3.90 12.80
0 2 -27 -16.30 12.70
0 -2 -27 17.30 14.50
0 2 -28 1.50 14.40
0 -2 -28 24.00 15.40
0 2 -29 4.90 15.70
0 -2 -29 24.20 15.50
0 2 -30 8.70 15.00
0 -2 -30 18.80 15.90
0 2 -31 62.79 18.00
0 -2 -31 73.99 20.60
0 2 -32 2.80 15.30
0 -2 -32 2.50 17.90
0 3 0 -0.40 2.80
0 3 1 10.60 2.90
0 3 -1 15.50 3.50
0 -3 1 11.80 3.60
0 -3 -1 8.80 3.00
0 3 -2 106.19 7.70
0 3 2 104.09 7.10
0 -3 2 115.39 7.60
0 -3 -2 105.99 7.10
0 3 -3 48.30 5.40
0 3 3 35.00 4.50
0 -3 -3 49.30 5.00
0 -3 3 52.29 5.70
0 3 4 16.60 4.20
0 3 -4 19.30 4.80
0 3 4 21.00 3.50
0 -3 -4 21.80 4.50
0 -3 4 15.30 4.80
0 3 -5 14.80 5.10
0 3 5 4.10 4.60
0 -3 -5 17.50 4.80
0 -3 5 16.50 5.20
0 3 6 91.29 8.00
0 3 -6 84.89 8.40
0 -3 6 114.59 8.80
0 -3 -6 90.19 8.10
0 3 -7 0.80 5.80
0 3 7 8.20 5.20
0 -3 -7 3.80 5.10
0 -3 7 12.60 6.10
0 3 -8 386.56 21.50
0 3 8 393.16 21.20
0 -3 -8 380.76 21.00
0 3 -9 783.32 39.70
0 -3 -9 814.92 39.60
0 3 -10 99.69 10.30
0 -3 -10 124.59 10.80
0 3 -11 74.49 9.50
0 -3 -11 82.89 9.30
0 3 -12 36.40 8.10
0 -3 -12 22.80 7.30
0 3 -13 48.70 9.20
0 -3 -13 60.89 9.20
0 3 -14 63.89 9.90
0 -3 -14 60.49 9.70
0 3 -15 11.90 7.80
0 -3 -15 18.10 8.10
0 3 -16 123.99 13.60
0 -3 -16 119.39 13.10
0 3 -17 140.59 15.10
0 -3 -17 160.18 15.20
0 3 -18 62.19 11.50
0 -3 -18 66.49 11.30
0 3 -19 -2.50 9.60
0 -3 -19 9.50 9.20
0 3 -20 15.80 10.60
0 -3 -20 16.10 10.20
0 3 -21 54.29 13.30
0 -3 -21 53.29 13.00
0 3 -22 -4.30 10.70
0 -3 -22 10.10 11.50
0 3 -23 297.17 25.50
0 -3 -23 279.77 25.30
0 3 -24 18.40 13.60
0 -3 -24 23.20 13.60
0 3 -25 110.89 18.20
0 -3 -25 85.99 17.00
0 3 -26 2.10 14.40
0 -3 -26 -5.70 13.60
0 3 -27 54.19 17.30
0 3 -28 -33.80 13.70
0 -3 -28 6.50 15.50
0 3 -29 9.30 14.70
0 -3 -29 22.90 17.30
0 3 -30 -7.30 15.00
0 -3 -30 12.70 17.00
0 3 -31 102.79 21.40
0 -3 -31 154.98 24.50
0 3 -32 65.29 19.40
0 -3 -32 64.09 20.00
0 4 0 1697.23 78.49
0 4 -1 418.46 20.90
0 4 1 410.66 20.40
0 -4 1 390.26 20.90
0 -4 -1 415.26 20.60
0 4 -2 483.55 24.60
0 4 2 480.35 24.20
0 -4 -2 499.55 24.40
0 -4 2 518.15 24.90
0 4 3 26.30 4.60
0 4 -3 26.20 5.50
0 -4 3 24.60 4.90
0 -4 -3 25.80 5.00
0 4 4 249.88 13.70
0 4 4 246.28 14.20
0 4 -4 263.47 15.00
0 -4 -4 247.98 14.20
0 -4 4 259.17 15.10
0 4 5 50.39 5.20
0 4 -5 47.70 6.60
0 4 5 51.49 6.20
0 -4 5 56.19 7.10
0 -4 -5 52.39 6.30
0 4 -6 5.60 5.40
0 4 6 1.30 5.10
0 -4 -6 5.00 4.90
0 -4 6 4.50 5.60
0 4 -7 39.30 7.00
0 4 7 39.40 6.50
0 -4 -7 42.70 6.70
0 4 -8 14.40 6.30
0 -4 -8 11.10 6.00
0 4 -9 71.19 9.00
0 -4 -9 64.99 8.50
0 4 -10 10.60 6.70
0 -4 -10 7.50 6.30
0 4 -11 32.80 7.40
0 -4 -11 19.30 6.90
0 4 -12 27.00 7.60
0 -4 -12 35.90 7.90
0 4 -13 281.17 19.10
0 -4 -13 278.87 18.70
0 4 -14 -0.70 7.40
0 -4 -14 5.60 7.20
0 4 -15 357.16 22.60
0 -4 -15 338.67 22.40
0 4 -16 19.00 8.60
0 -4 -16 10.70 8.70
0 4 -17 2.40 8.70
0 -4 -17 5.80 8.60
0 4 -18 250.47 20.60
0 -4 -18 246.48 20.20
0 4 -19 63.59 12.50
0 -4 -19 89.29 13.30
0 4 -20 20.00 11.00
0 -4 -20 -3.80 9.90
0 4 -21 -9.10 10.40
0 -4 -21 2.60 11.40
0 4 -22 139.99 18.80
0 -4 -22 151.08 18.60
0 4 -23 22.60 13.40
0 -4 -23 22.40 13.30
0 4 -24 80.39 16.40
0 -4 -24 57.19 15.60
0 4 -25 77.19 17.40
0 -4 -25 45.30 16.20
0 4 -26 10.70 15.20
0 -4 -26 6.80 14.40
0 4 -27 16.20 15.90
0 -4 -27 20.80 15.00
0 4 -28 7.20 15.10
0 -4 -28 15.90 15.30
0 4 -29 -22.10 15.00
0 -4 -29 2.40 16.20
0 4 -30 3.00 16.50
0 -4 -30 4.50 16.50
0 4 -31 16.80 15.70
0 -4 -31 45.30 18.30
0 4 -32 62.39 20.50
0 5 0 1.40 4.30
0 5 1 292.37 15.70
0 5 -1 282.47 16.50
0 -5 -1 279.97 16.00
0 5 -2 794.62 38.20
0 5 2 761.02 37.70
0 -5 -2 798.52 37.90
0 -5 2 795.52 38.40
0 5 -3 5.20 5.20
0 5 3 3.70 4.30
0 -5 -3 8.80 4.90
0 -5 3 6.50 4.80
0 5 4 1.90 4.50
0 5 -4 8.30 5.60
0 -5 -4 0.30 4.60
0 -5 4 5.00 4.90
0 5 5 34.10 5.70
0 5 5 25.40 4.90
0 5 -5 36.30 6.70
0 -5 -5 20.80 5.60
0 -5 5 46.50 7.00
0 5 6 -3.80 4.20
0 5 6 4.00 5.10
0 5 -6 4.60 5.70
0 -5 -6 3.10 5.10
0 5 7 132.49 11.90
0 5 -7 144.89 11.80
0 -5 -7 119.89 10.40
0 5 -8 412.96 23.30
0 -5 -8 416.06 22.60
0 5 -9 9.70 6.70
0 -5 -9 6.40 6.30
0 5 -10 257.07 17.80
0 -5 -10 283.97 17.50
0 5 -11 13.60 7.50
0 -5 -11 5.70 6.70
0 5 -12 16.40 7.10
0 -5 -12 2.40 6.90
0 5 -13 21.30 7.90
0 -5 -13 20.80 7.90
0 5 -14 83.09 11.30
0 -5 -14 82.19 10.80
0 5 -15 112.09 13.00
0 -5 -15 99.59 12.60
0 5 -16 66.19 10.90
0 -5 -16 34.90 9.80
0 5 -17 133.09 15.20
0 -5 -17 151.68 15.40
0 5 -18 129.29 15.30
0 -5 -18 136.49 15.40
0 5 -19 32.00 10.90
0 -5 -19 37.80 11.60
0 5 -20 45.10 12.60
0 -5 -20 45.20 12.40
0 5 -21 4.10 11.70
0 -5 -21 28.10 12.40
0 5 -22 113.29 17.50
0 -5 -22 135.89 18.30
0 5 -23 103.29 18.00
0 -5 -23 97.49 17.00
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10 3 8 17.00 8.70
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-10 -3 -8 20.50 6.40
10 -3 8 14.10 8.20
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-10 3 -10 16.20 8.00
10 3 10 20.60 8.70
-10 -3 -10 15.60 7.00
10 -3 10 19.90 8.90
10 3 11 311.77 22.10
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10 -3 11 352.36 22.90
-10 -3 -11 332.27 20.20
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10 3 12 54.39 10.50
-10 -3 -12 76.79 9.70
10 -3 12 62.99 11.50
10 3 13 344.27 23.70
-10 3 -13 357.26 23.90
-10 -3 -13 381.26 22.70
10 -3 13 363.86 24.60
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-10 -3 -14 74.59 10.90
10 -3 14 70.69 12.50
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10 -3 15 35.70 11.00
-10 -3 -15 35.50 9.80
10 3 16 8.30 9.30
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10 -3 16 29.10 11.40
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10 3 17 0.80 9.40
-10 -3 -17 4.20 9.70
10 3 18 -1.90 9.20
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-10 -3 -18 11.10 10.20
10 3 19 12.30 9.70
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-10 -3 -19 8.50 11.20
10 3 20 62.79 13.00
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-10 -3 -20 21.60 12.40
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10 3 21 75.19 13.80
-10 -3 -21 49.99 14.00
10 3 22 49.70 13.10
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-10 -3 -26 3.30 14.10
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-10 -3 -28 -11.80 15.70
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10 -4 -32 -9.80 14.80
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10 -4 -31 -0.70 13.90
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10 -4 -30 13.40 14.50
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10 -4 -29 11.40 14.00
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10 -4 -28 29.80 14.50
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10 -4 -25 8.10 11.80
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10 -4 -23 20.30 11.20
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10 -4 -22 25.90 11.60
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10 -4 -21 80.99 13.50
10 4 -20 529.15 31.70
10 -4 -20 533.65 32.00
10 4 -19 220.78 18.40
10 -4 -19 223.28 19.00
10 4 -18 362.86 22.70
10 -4 -18 324.17 22.90
10 4 -17 8.50 7.30
10 -4 -17 8.40 8.10
10 4 -16 7.40 7.00
10 -4 -16 26.80 8.40
10 4 -15 1.80 6.70
10 -4 -15 5.40 7.10
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10 -4 -14 78.19 10.50
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10 -4 -13 158.88 13.70
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10 -4 -12 8.90 7.00
10 4 -11 594.54 30.80
10 -4 -11 586.64 31.30
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10 -4 -9 -0.60 5.80
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10 -4 -6 11.80 5.30
10 -4 -6 13.50 5.60
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10 -4 -5 241.18 15.50
10 -4 -5 266.77 15.40
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10 -4 -4 5.00 5.70
10 -4 -4 5.30 5.30
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10 -4 -3 1.10 4.80
10 -4 -3 6.20 6.20
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10 -4 -2 173.08 14.00
10 -4 -2 184.68 12.80
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10 4 3 168.78 14.70
10 -4 3 180.58 15.70
10 4 4 182.88 15.30
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10 -5 -32 8.20 16.30
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10 -5 -31 -24.90 14.50
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10 -5 -30 185.38 22.10
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10 -5 -29 27.90 14.90
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10 -5 -28 318.17 29.00
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10 -5 -27 33.10 15.30
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10 -5 -26 28.50 13.70
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10 -5 -13 47.90 9.40
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10 -5 -11 -1.40 6.40
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10 -5 -10 575.14 30.40
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10 -5 -9 2.60 6.40
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10 -5 -8 222.38 15.20
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10 -5 -3 376.06 21.40
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10 -6 -19 210.88 19.10
10 6 -18 168.08 16.10
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10 -7 -13 8.30 7.20
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10 -7 -10 20.30 7.90
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10 -7 -9 263.87 17.40
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10 -7 -3 6.20 6.80
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10 7 3 149.29 13.10
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10 7 4 227.58 17.10
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10 7 5 41.00 9.20
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10 7 6 120.49 12.50
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10 7 10 11.30 8.70
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10 7 12 45.90 10.30
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10 7 14 60.09 11.60
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10 7 20 84.69 14.30
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10 7 22 12.20 10.20
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10 -8 -30 -6.00 16.30
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10 -8 -29 37.00 17.60
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10 -8 -28 1.30 15.80
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10 -8 -27 89.19 19.50
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10 -8 -24 5.30 13.40
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10 -8 -20 -9.20 10.00
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10 -8 -13 64.69 10.80
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10 -8 -11 237.48 18.40
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10 -8 -10 66.69 9.70
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10 -8 -9 43.60 8.70
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10 -8 -8 16.20 7.40
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10 -8 -6 55.49 8.90
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10 -9 -31 -3.30 17.20
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10 12 -12 398.66 25.20
10 -12 -12 440.66 27.60
10 12 -11 55.69 9.70
10 -12 -11 46.30 11.40
10 12 -10 124.59 12.60
10 -12 -10 115.99 14.30
10 12 -9 93.99 10.60
10 -12 -9 72.79 11.80
10 12 -8 17.80 7.20
10 -12 -8 16.50 9.40
10 12 -7 180.48 14.20
10 -12 -7 175.08 16.60
10 12 -6 125.09 11.60
10 -12 -6 144.69 14.50
10 12 -5 124.29 11.20
10 -12 -5 99.19 13.20
10 12 -4 98.89 10.20
10 -12 -4 94.39 13.20
10 12 -3 21.10 6.50
10 12 -2 33.40 7.20
-10 12 2 24.90 9.50
-10 12 1 82.19 12.30
10 12 -1 87.09 10.30
10 12 0 -4.00 8.20
10 12 0 -4.10 6.40
-10 12 0 2.80 8.90
10 12 1 52.09 9.30
10 12 1 38.10 10.00
-10 12 -1 36.70 9.60
-10 12 -2 16.80 9.40
10 12 2 3.20 7.40
10 12 2 -2.40 8.20
-10 12 -3 9.30 9.10
10 12 3 9.60 9.30
-10 12 -4 1.10 8.10
10 12 4 0.50 9.00
-10 -12 -4 -4.40 6.90
10 12 5 5.10 9.30
-10 12 -5 9.70 9.40
-10 -12 -5 8.50 7.30
-10 12 -6 273.47 21.70
10 12 6 272.87 20.50
-10 -12 -6 234.28 17.80
-10 12 -7 0.60 9.10
10 12 7 6.10 9.30
-10 -12 -7 -4.70 7.50
10 12 8 47.00 11.20
-10 12 -8 44.10 12.00
-10 -12 -8 30.90 8.90
-10 12 -9 53.89 12.50
10 12 9 31.50 10.70
-10 -12 -9 23.40 8.80
10 12 10 11.60 10.10
-10 12 -10 0.60 10.20
-10 -12 -10 25.30 8.90
10 12 11 73.09 13.10
-10 12 -11 73.19 15.10
-10 -12 -11 80.69 12.40
-10 12 -12 101.89 17.20
10 12 12 126.09 15.70
-10 -12 -12 124.09 14.30
10 12 13 10.00 11.60
-10 12 -13 -3.30 12.30
-10 -12 -13 13.40 10.30
-10 12 -14 72.99 15.50
10 12 14 58.09 13.60
-10 -12 -14 104.29 14.80
-10 12 -15 21.40 14.20
10 12 15 41.60 12.70
-10 -12 -15 27.00 13.80
-10 12 -16 4.60 14.80
10 12 16 -11.70 10.50
-10 -12 -16 21.00 13.20
-10 12 -17 8.50 15.10
10 12 17 49.00 12.50
-10 -12 -17 10.30 13.30
-10 12 -18 -9.50 15.70
10 12 18 12.10 12.10
-10 -12 -18 29.70 15.10
10 12 19 27.20 12.80
-10 12 -19 29.80 17.60
-10 -12 -19 20.70 14.70
-10 12 -20 84.99 21.00
-10 -12 -20 79.09 17.80
-10 12 -21 -36.40 16.20
-10 -12 -21 32.40 16.20
-10 12 -22 59.19 21.30
-10 -12 -22 60.89 18.00
-10 12 -23 42.20 20.00
-10 -12 -23 21.40 18.00
-10 12 -24 -4.20 20.70
-10 -12 -24 22.80 17.80
-10 12 -25 26.30 24.30
-10 -12 -25 9.30 18.40
10 13 -29 12.50 14.20
10 -13 -29 51.79 21.30
10 13 -28 46.70 15.50
10 -13 -28 -0.60 16.90
10 13 -27 -3.20 12.50
10 -13 -27 -0.60 17.50
10 13 -26 -10.60 12.30
10 -13 -26 -10.40 17.60
10 13 -25 18.20 13.70
10 -13 -25 9.70 17.30
10 13 -24 -7.90 11.40
10 -13 -24 -2.60 15.70
10 13 -23 10.40 11.90
10 -13 -23 17.90 16.50
10 13 -22 107.19 16.50
10 -13 -22 101.49 20.40
10 13 -21 -0.60 10.80
10 -13 -21 14.90 15.20
10 13 -20 17.70 11.30
10 -13 -20 11.00 14.30
10 13 -19 6.50 10.20
10 -13 -19 -11.50 12.90
10 13 -18 48.40 12.60
10 -13 -18 46.70 15.40
10 13 -17 14.90 9.90
10 -13 -17 4.90 12.10
10 13 -16 38.70 11.30
10 -13 -16 56.89 14.40
10 13 -15 88.39 13.50
10 -13 -15 83.39 15.40
10 13 -14 0.10 9.10
10 -13 -14 12.40 11.20
10 13 -13 6.60 8.80
10 -13 -13 11.80 11.30
10 13 -12 45.00 10.20
10 -13 -12 52.09 12.80
10 13 -11 34.20 9.70
10 -13 -11 57.49 12.30
10 13 -10 15.90 8.30
10 -13 -10 26.80 11.00
10 13 -9 53.99 9.50
10 -13 -9 52.89 11.40
10 13 -8 -4.20 6.80
10 -13 -8 -3.50 8.40
10 13 -7 24.50 7.40
10 -13 -7 31.80 10.40
10 13 -6 4.80 6.60
10 -13 -6 -3.20 8.80
10 13 -5 41.20 8.30
10 -13 -5 22.50 10.00
10 13 -4 88.09 10.30
10 -13 -4 74.79 13.10
-10 13 3 238.48 19.50
10 13 -3 182.48 15.00
-10 13 2 38.70 10.50
10 13 -2 30.70 7.90
-10 13 1 152.28 16.10
10 13 -1 127.99 12.40
10 13 0 14.70 7.50
-10 13 0 10.30 8.70
10 13 0 7.10 9.40
10 13 1 64.99 10.30
10 13 1 42.60 10.80
-10 13 -1 52.59 11.00
-10 13 -2 45.60 10.90
10 13 2 45.50 11.30
10 13 2 54.49 10.40
-10 13 -3 245.68 21.10
10 13 3 257.17 21.40
-10 13 -4 42.50 11.60
10 13 4 37.80 11.30
-10 -13 -4 66.99 10.70
10 13 5 268.27 21.20
-10 13 -5 244.38 21.50
-10 -13 -5 235.38 18.70
-10 13 -6 33.20 12.00
10 13 6 46.80 12.00
-10 -13 -6 37.60 9.30
10 13 7 0.60 9.90
-10 13 -7 -1.50 10.30
-10 -13 -7 -8.10 8.00
-10 13 -8 13.00 10.90
10 13 8 24.40 10.50
-10 -13 -8 19.70 9.10
-10 13 -9 36.90 13.00
10 13 9 45.80 12.20
-10 -13 -9 53.59 11.10
10 13 10 130.29 15.20
-10 13 -10 104.19 16.50
-10 -13 -10 136.09 14.40
10 13 11 31.90 11.50
-10 13 -11 10.40 12.40
-10 -13 -11 23.00 10.30
-10 13 -12 109.09 18.20
10 13 12 115.79 15.40
-10 -13 -12 122.79 14.90
-10 13 -13 50.79 15.40
10 13 13 18.60 12.10
-10 -13 -13 77.19 13.30
10 13 14 -5.40 11.30
-10 13 -14 5.20 13.10
-10 -13 -14 17.70 11.80
10 13 15 -10.90 11.40
-10 13 -15 15.70 14.00
-10 -13 -15 -8.50 11.10
-10 13 -16 6.90 14.40
10 13 16 -5.20 12.00
-10 -13 -16 -19.80 12.40
-10 13 -17 -10.70 15.40
10 13 17 21.30 12.00
-10 -13 -17 -26.10 13.10
-10 13 -18 54.19 18.40
10 13 18 45.60 12.90
-10 -13 -18 30.20 16.20
-10 13 -19 27.40 18.00
-10 -13 -19 15.90 16.20
-10 13 -20 48.20 18.90
-10 -13 -20 34.20 17.00
-10 13 -21 -30.40 17.30
-10 -13 -21 -1.40 15.30
-10 13 -22 -11.00 19.40
-10 -13 -22 33.40 16.60
-10 13 -23 2.40 20.10
-10 -13 -23 -13.80 16.10
-10 13 -24 14.20 21.20
-10 -13 -24 24.60 16.80
10 14 -28 -5.50 13.00
10 -14 -28 31.50 19.70
10 14 -27 48.30 15.40
10 -14 -27 40.80 20.10
10 14 -26 36.50 14.60
10 -14 -26 14.30 19.00
10 14 -25 3.20 12.90
10 -14 -25 28.10 18.20
10 14 -24 53.59 15.40
10 -14 -24 68.59 19.40
10 14 -23 -13.40 11.60
10 -14 -23 4.90 16.10
10 14 -22 12.30 11.80
10 -14 -22 0.40 15.40
10 14 -21 92.19 15.90
10 -14 -21 58.29 18.00
10 14 -20 14.60 10.90
10 -14 -20 -19.10 13.90
10 14 -19 128.09 17.60
10 -14 -19 100.59 18.70
10 14 -18 16.10 11.20
10 -14 -18 3.50 13.90
10 14 -17 17.40 11.50
10 -14 -17 4.10 13.50
10 14 -16 8.90 10.30
10 -14 -16 -7.70 12.40
10 14 -15 -7.60 10.00
10 -14 -15 -4.00 11.60
10 14 -14 -7.10 9.20
10 -14 -14 11.30 11.90
10 14 -13 155.28 15.90
10 -14 -13 130.99 18.00
10 14 -12 12.70 9.30
10 -14 -12 12.80 11.30
10 14 -11 172.68 15.80
10 -14 -11 164.88 19.00
10 14 -10 47.00 9.80
10 -14 -10 52.99 12.80
10 14 -9 11.10 7.90
10 -14 -9 -2.40 10.00
10 14 -8 170.38 15.60
10 -14 -8 181.08 17.80
10 14 -7 12.60 7.80
10 -14 -7 21.40 11.10
10 14 -6 92.89 10.90
10 -14 -6 81.99 14.00
10 14 -5 126.89 13.00
10 -14 -5 143.99 16.60
10 14 -4 12.60 7.60
10 14 -3 7.10 7.30
-10 14 3 2.10 9.70
10 14 -2 -7.20 7.00
-10 14 2 -1.40 8.90
10 14 -1 57.79 9.80
-10 14 1 63.09 13.30
-10 14 0 37.50 11.00
10 14 0 28.10 8.70
10 14 0 41.30 11.20
10 14 1 2.10 9.70
-10 14 -1 -8.10 8.50
10 14 1 7.80 8.00
10 14 2 102.39 12.60
-10 14 -2 92.29 14.50
10 14 2 78.69 13.50
-10 14 -3 21.10 10.40
10 14 3 30.80 10.00
10 14 3 6.60 10.60
-10 14 -4 -7.70 9.20
10 14 4 9.40 10.20
-10 14 -5 60.09 12.60
10 14 5 51.59 12.80
-10 -14 -5 58.99 10.80
10 14 6 -7.00 10.00
-10 14 -6 7.30 10.00
-10 -14 -6 13.60 9.50
-10 14 -7 74.39 14.50
10 14 7 65.99 12.90
-10 -14 -7 77.29 12.10
-10 14 -8 11.00 11.50
10 14 8 7.50 10.40
-10 -14 -8 8.60 9.30
10 14 9 2.20 10.70
-10 14 -9 4.70 11.40
-10 -14 -9 -10.80 9.30
-10 14 -10 47.10 14.30
10 14 10 85.79 14.50
-10 -14 -10 90.19 13.50
-10 14 -11 5.60 12.30
10 14 11 4.60 11.10
-10 -14 -11 9.20 10.10
-10 14 -12 -12.30 12.90
10 14 12 6.10 11.50
-10 -14 -12 -16.20 9.30
10 14 13 95.69 15.30
-10 14 -13 66.09 16.80
-10 -14 -13 114.19 15.40
-10 14 -14 1.30 13.90
10 14 14 4.20 12.50
-10 -14 -14 7.40 11.70
10 14 15 19.90 12.70
-10 14 -15 61.59 15.80
-10 -14 -15 7.40 12.30
-10 14 -16 44.00 16.30
10 14 16 47.40 14.60
-10 -14 -16 65.29 15.90
10 14 17 -3.40 12.00
-10 14 -17 -1.20 15.30
-10 -14 -17 -10.10 13.10
10 14 18 29.80 13.50
-10 14 -18 34.40 16.70
-10 -14 -18 31.30 15.20
-10 14 -19 5.40 18.70
-10 -14 -19 -3.90 14.90
-10 14 -20 23.30 18.40
-10 -14 -20 41.90 17.00
-10 14 -21 131.49 23.90
-10 -14 -21 132.89 21.40
-10 14 -22 6.10 19.90
-10 -14 -22 9.10 17.90
-10 14 -23 19.00 21.00
-10 -14 -23 39.20 19.90
10 15 -27 20.90 14.00
10 -15 -27 7.80 18.60
10 15 -26 -3.80 12.20
10 -15 -26 7.30 18.60
10 15 -25 7.00 12.60
10 -15 -25 11.70 18.10
10 15 -24 0.80 12.50
10 15 -23 24.80 13.10
10 -15 -23 18.00 17.20
10 15 -22 24.00 13.00
10 -15 -22 31.40 17.10
10 15 -21 111.09 17.00
10 -15 -21 97.59 20.00
10 15 -20 9.80 12.10
10 -15 -20 -1.30 15.40
10 15 -19 19.30 12.00
10 -15 -19 -6.70 15.00
10 15 -18 -2.50 11.30
10 -15 -18 -1.60 14.30
10 15 -17 118.89 16.20
10 -15 -17 99.89 18.90
10 15 -16 33.50 11.80
10 -15 -16 17.30 13.80
10 15 -15 -1.90 10.50
10 -15 -15 32.50 14.40
10 15 -14 11.20 10.80
10 -15 -14 23.80 13.90
10 15 -13 27.80 11.00
10 -15 -13 22.70 13.30
10 15 -12 27.30 9.80
10 -15 -12 5.10 12.20
10 15 -11 142.49 15.00
10 -15 -11 124.39 17.40
10 15 -10 36.30 10.10
10 -15 -10 35.50 12.70
10 15 -9 52.49 10.40
10 -15 -9 41.50 13.50
10 15 -8 10.00 8.40
10 -15 -8 4.90 11.20
10 15 -7 1.20 7.60
10 -15 -7 -8.90 10.50
10 15 -6 -8.00 7.40
10 -15 -6 -9.70 11.00
10 15 -5 29.20 8.90
-10 15 4 35.00 11.30
10 15 -4 41.70 9.00
10 15 -3 136.99 13.50
-10 15 3 148.09 17.70
-10 15 2 73.29 14.10
10 15 -2 74.59 10.90
10 15 -1 -0.50 8.20
-10 15 1 16.90 11.10
10 15 0 55.49 12.20
-10 15 0 30.80 11.10
10 15 0 55.89 10.60
10 15 1 73.39 11.80
-10 15 -1 49.50 12.20
10 15 1 55.89 12.60
10 15 2 102.89 15.20
10 15 2 138.39 14.50
-10 15 -2 94.59 14.70
10 15 3 11.70 10.90
10 15 3 20.80 9.80
-10 15 -3 17.80 11.20
-10 15 -4 49.00 12.40
10 15 4 44.30 12.60
-10 15 -5 156.28 18.50
10 15 5 152.78 17.30
-10 15 -6 -3.60 10.70
10 15 6 15.80 11.40
-10 -15 -6 8.80 9.50
-10 15 -7 5.80 11.50
10 15 7 31.10 12.20
-10 -15 -7 27.10 11.50
-10 15 -8 9.50 12.50
10 15 8 34.20 12.10
-10 -15 -8 14.20 10.10
10 15 9 10.00 11.00
-10 15 -9 9.60 12.30
-10 -15 -9 16.80 10.90
10 15 10 -5.10 11.30
-10 15 -10 18.10 13.20
-10 -15 -10 11.50 11.10
-10 15 -11 159.88 20.90
10 15 11 171.88 18.90
-10 -15 -11 173.38 18.80
-10 15 -12 -7.10 13.20
10 15 12 2.20 11.50
-10 -15 -12 -7.40 11.50
10 15 13 83.29 15.10
-10 15 -13 104.79 19.00
-10 -15 -13 106.39 15.60
-10 15 -14 5.40 14.60
10 15 14 9.30 12.00
-10 -15 -14 -3.70 12.00
10 15 15 21.40 12.50
-10 15 -15 -20.70 13.90
-10 -15 -15 -2.60 12.90
10 15 16 -16.70 11.70
-10 15 -16 3.00 14.60
-10 -15 -16 13.70 13.60
-10 15 -17 -5.10 15.60
10 15 17 14.90 13.10
-10 -15 -17 0.30 14.40
-10 15 -18 -2.70 15.90
-10 -15 -18 -21.00 14.20
-10 15 -19 65.39 21.80
-10 -15 -19 97.49 18.80
-10 15 -20 -13.00 18.30
-10 -15 -20 14.90 17.80
-10 15 -21 9.00 19.90
-10 -15 -21 -5.30 17.30
-10 15 -22 -23.00 19.10
-10 -15 -22 12.10 18.40
10 16 -26 43.10 16.00
10 -16 -26 31.80 19.20
10 16 -25 63.09 16.70
10 -16 -25 50.49 21.00
10 16 -24 26.00 14.60
10 -16 -24 19.00 18.40
10 16 -23 22.90 13.90
10 16 -22 22.00 13.30
10 -16 -22 10.60 17.40
10 16 -21 13.70 12.70
10 -16 -21 14.10 17.60
10 16 -20 120.49 17.90
10 -16 -20 106.49 20.90
10 16 -19 29.10 13.70
10 -16 -19 39.20 17.90
10 16 -18 78.49 15.20
10 -16 -18 70.09 19.00
10 16 -17 20.40 11.90
10 -16 -17 15.40 15.70
10 16 -16 2.90 11.10
10 -16 -16 -8.80 14.50
10 16 -15 17.50 11.10
10 -16 -15 -14.60 13.30
10 16 -14 24.60 11.40
10 -16 -14 40.90 15.30
10 16 -13 99.39 14.30
10 -16 -13 91.69 17.60
10 16 -12 56.09 12.30
10 -16 -12 53.29 15.30
10 16 -11 38.30 11.50
10 -16 -11 42.80 14.70
10 16 -10 -0.20 9.20
10 -16 -10 5.50 12.80
10 16 -9 75.69 12.50
10 -16 -9 142.09 18.50
10 16 -8 1.90 8.80
10 -16 -8 11.20 12.80
10 16 -7 93.39 12.20
10 -16 -7 69.49 15.90
10 16 -6 26.70 9.30
10 -16 -6 14.70 14.20
10 16 -5 4.40 8.20
-10 16 4 0.80 11.70
10 16 -4 -7.30 7.40
10 16 -3 22.10 9.50
-10 16 3 13.30 11.10
-10 16 2 5.80 11.10
10 16 -2 0.80 8.30
-10 16 1 9.10 10.80
10 16 -1 -4.00 9.10
10 16 0 16.90 11.20
-10 16 0 1.60 10.20
10 16 0 14.20 9.30
10 16 1 17.70 9.90
10 16 1 16.00 11.30
-10 16 -1 7.30 10.70
-10 16 -2 21.60 12.00
10 16 2 21.40 10.60
10 16 2 22.60 12.10
-10 16 -3 23.50 11.90
10 16 3 27.10 11.10
10 16 3 18.20 11.90
-10 16 -4 12.80 11.60
10 16 4 10.10 11.90
10 16 4 4.30 10.40
-10 16 -5 27.50 12.40
10 16 5 52.39 13.70
-10 16 -6 43.20 13.80
10 16 6 28.20 13.20
-10 -16 -6 46.30 13.50
-10 16 -7 13.30 13.00
10 16 7 37.70 13.70
-10 -16 -7 19.40 11.60
-10 16 -8 34.60 13.90
10 16 8 42.60 13.10
-10 -16 -8 39.90 14.20
10 16 9 52.19 13.00
-10 16 -9 47.30 15.00
-10 -16 -9 42.00 12.80
-10 16 -10 28.60 13.80
10 16 10 17.60 12.50
-10 -16 -10 -4.60 11.20
-10 16 -11 16.80 14.90
10 16 11 36.80 12.90
-10 -16 -11 27.90 12.40
10 16 12 10.00 11.90
-10 16 -12 8.50 14.10
-10 -16 -12 13.60 12.90
-10 16 -13 23.60 15.20
10 16 13 25.20 12.40
-10 -16 -13 24.90 13.60
-10 16 -14 80.39 19.40
10 16 14 64.79 15.00
-10 -16 -14 105.39 16.40
10 16 15 48.70 14.80
-10 16 -15 21.40 15.40
-10 -16 -15 54.09 15.90
-10 16 -16 8.10 15.00
10 16 16 13.80 13.40
-10 -16 -16 23.40 15.10
-10 16 -17 62.99 19.50
-10 -16 -17 58.59 17.00
-10 16 -18 -5.90 17.10
-10 -16 -18 4.30 15.50
-10 16 -19 46.30 18.90
-10 -16 -19 18.60 16.60
-10 16 -20 32.90 20.30
-10 16 -21 9.20 20.80
-10 -16 -21 10.30 22.80
10 17 -25 17.10 14.40
10 -17 -25 -15.50 18.80
10 17 -24 -7.90 12.80
10 -17 -24 3.10 19.20
10 17 -23 5.70 13.40
10 -17 -23 -21.00 18.00
10 17 -22 55.89 14.90
10 17 -21 12.10 14.20
10 -17 -21 24.90 19.00
10 17 -20 39.50 14.30
10 -17 -20 46.80 18.80
10 17 -19 -4.70 12.80
10 -17 -19 -11.70 16.80
10 17 -18 60.19 15.60
10 -17 -18 72.99 19.10
10 17 -17 52.39 14.10
10 -17 -17 26.10 17.50
10 17 -16 111.69 16.30
10 -17 -16 38.30 17.60
10 17 -15 16.30 12.00
10 -17 -15 17.70 16.30
10 17 -14 2.10 11.30
10 -17 -14 -5.20 15.20
10 17 -13 -3.30 10.40
10 -17 -13 -7.00 14.50
10 17 -12 50.09 12.80
10 -17 -12 44.90 16.10
10 17 -11 -2.20 9.40
10 -17 -11 9.00 14.40
10 17 -10 237.38 20.80
10 -17 -10 277.27 27.10
10 17 -9 -0.50 9.60
10 -17 -9 -0.90 13.60
10 17 -8 17.70 9.50
10 -17 -8 -0.90 14.10
10 17 -7 32.30 10.50
10 -17 -7 31.00 15.20
10 17 -6 18.60 9.80
-10 17 5 14.30 12.50
10 17 -5 34.10 10.20
10 17 -4 73.19 12.30
-10 17 4 56.39 13.90
-10 17 3 20.00 12.70
10 17 -3 23.70 9.60
-10 17 2 9.90 12.10
10 17 -2 6.60 9.00
10 17 -1 -4.70 8.90
-10 17 1 15.60 11.70
10 17 0 5.90 9.20
10 17 0 -11.50 11.20
-10 17 0 -12.30 10.30
10 17 1 43.30 11.50
10 17 1 58.99 13.80
-10 17 -1 60.29 14.20
-10 17 -2 9.30 11.60
10 17 2 -1.00 12.00
10 17 2 16.00 10.50
10 17 3 55.09 13.40
10 17 3 73.49 15.10
-10 17 -3 59.49 15.00
10 17 4 52.29 13.30
10 17 4 67.39 15.20
-10 17 -4 75.59 15.60
-10 17 -5 0.60 12.40
10 17 5 12.00 12.70
10 17 5 -4.20 11.20
10 17 6 70.79 15.50
-10 17 -6 66.89 15.30
-10 17 -7 -2.80 13.40
10 17 7 15.40 12.90
-10 -17 -7 13.60 13.70
-10 17 -8 -7.90 12.90
10 17 8 10.50 12.30
-10 -17 -8 20.10 14.00
10 17 9 5.70 12.10
-10 17 -9 14.70 13.80
-10 -17 -9 7.00 13.00
10 17 10 103.99 16.20
-10 17 -10 90.59 18.90
-10 -17 -10 133.89 18.90
-10 17 -11 20.50 15.30
10 17 11 16.80 13.20
-10 -17 -11 17.70 12.70
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10 -18 -19 85.49 21.60
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10 -18 -18 70.29 20.40
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10 -18 -17 13.10 17.80
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10 -18 -16 2.30 16.80
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10 21 -14 8.30 13.50
10 -21 -14 -11.30 20.60
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10 21 -11 -30.10 11.30
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10 21 -6 4.30 11.40
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10 21 -5 41.80 13.80
10 21 -4 19.30 12.20
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10 21 -3 147.89 18.20
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10 22 -1 -10.40 11.70
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10 22 6 27.40 15.10
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10 22 8 6.80 14.90
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10 22 9 17.10 14.40
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10 -23 -13 -20.20 23.80
10 23 -12 7.90 14.60
10 23 -11 30.20 15.90
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10 23 -8 -3.30 12.10
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10 23 5 17.90 16.30
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11 0 -34 241.38 27.80
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11 0 -32 -4.90 13.20
11 0 -31 2.80 12.60
11 0 -30 34.10 14.10
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11 0 -18 83.49 11.60
11 0 -17 8.30 7.50
11 0 -16 818.62 42.50
11 0 -15 0.00 6.90
11 0 -14 1420.36 68.69
11 0 -13 -5.60 6.10
11 0 -12 2451.35 114.59
11 0 -11 0.60 4.90
11 0 -11 4.60 6.00
11 0 -10 69.39 8.20
11 0 -10 69.09 7.00
11 0 -9 3.20 5.50
11 0 -9 0.20 4.60
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11 0 -8 10.60 5.30
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11 0 -8 20.30 5.50
11 0 -7 4.60 5.20
-11 0 7 -1.60 4.60
11 0 -7 -0.60 4.90
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11 0 -5 7.10 4.40
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11 0 -5 0.70 5.30
11 0 -4 171.18 10.60
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-11 0 4 175.08 10.90
11 0 -3 -4.30 6.40
-11 0 3 3.90 5.80
-11 0 2 260.97 16.30
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11 0 -1 2.60 6.90
-11 0 1 11.90 6.30
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11 0 0 111.09 10.80
11 0 1 7.10 7.00
-11 0 -1 -4.80 9.00
11 0 2 92.99 10.00
11 0 3 8.10 7.30
-11 0 -4 1886.51 86.79
11 0 4 1891.01 88.99
11 0 4 1851.81 86.69
11 0 5 0.60 7.50
11 0 5 3.40 4.50
-11 0 -5 -2.30 5.10
11 0 6 1470.35 70.99
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11 0 8 7.20 8.70
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11 0 18 101.29 14.60
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11 0 19 4.60 10.50
11 0 20 346.37 26.60
-11 0 -20 331.27 26.80
11 0 21 12.70 12.30
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13 -18 -9 -21.20 14.20
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13 20 -4 13.50 10.60
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13 21 -7 17.10 11.60
13 21 -6 25.80 11.80
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-13 21 5 35.90 17.90
13 21 -5 67.59 13.50
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13 22 -17 11.30 13.00
13 -22 -17 5.30 21.40
13 22 -16 10.00 14.20
13 -22 -16 33.70 22.40
13 22 -15 24.30 14.60
13 -22 -15 29.40 22.70
13 22 -14 7.20 13.20
13 -22 -14 3.60 20.20
13 22 -13 13.90 13.20
13 -22 -13 -9.00 20.60
13 22 -12 1.50 12.70
13 -22 -12 35.20 22.50
13 22 -11 47.90 13.80
13 22 -10 57.19 15.20
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13 22 -8 0.50 11.10
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13 22 -7 11.60 11.80
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13 22 -6 3.60 11.50
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13 22 -5 18.90 11.90
13 22 -4 56.09 17.60
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13 22 -4 64.69 14.10
13 22 -3 -14.70 14.80
13 22 -3 -12.90 10.50
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13 22 -1 5.50 16.50
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13 22 1 -14.90 15.90
-13 22 -1 -27.90 16.40
13 22 1 -17.30 10.60
13 22 2 67.39 18.70
-13 22 -2 76.99 21.20
13 22 2 60.69 14.50
13 22 3 72.49 19.20
13 22 3 60.99 18.90
-13 22 -3 87.29 21.10
13 22 4 98.29 21.30
-13 22 -4 88.09 22.00
-13 22 -5 10.90 17.80
13 22 5 21.90 16.60
-13 22 -6 14.40 19.20
13 22 6 -5.10 15.70
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13 22 10 14.20 15.30
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13 22 11 11.90 15.50
13 23 -14 19.50 14.50
13 -23 -14 11.10 22.60
13 23 -13 -7.30 12.80
13 23 -12 26.50 14.50
13 23 -11 31.80 13.90
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13 23 -10 -31.20 10.60
-13 23 9 44.80 17.70
13 23 -9 9.20 12.50
13 23 -8 -18.70 11.10
-13 23 8 25.80 17.10
-13 23 7 3.20 17.00
13 23 -7 5.70 12.50
-13 23 6 66.89 20.70
13 23 -6 109.29 16.40
-13 23 5 -6.50 16.00
13 23 -5 -13.50 11.40
-13 23 4 29.90 17.60
13 23 -4 60.09 18.20
13 23 -4 43.60 13.80
13 23 -3 11.50 16.30
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13 23 -3 8.00 13.50
13 23 -2 -3.70 11.90
13 23 -2 19.60 17.20
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13 23 -1 -9.30 16.30
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13 23 -1 -38.10 10.40
13 23 0 -21.40 15.60
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13 23 0 -7.70 12.90
-13 23 -1 4.80 18.40
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13 23 2 31.10 17.40
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13 23 3 -11.30 14.90
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13 23 4 10.20 16.00
13 23 5 13.00 16.00
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13 23 6 2.20 17.40
13 23 7 -7.10 15.50
-13 23 -7 23.20 20.00
13 23 8 8.00 16.20
-13 23 -8 -21.10 17.20
-13 24 11 -7.90 18.50
13 24 -10 37.40 15.00
-13 24 10 9.50 17.60
13 24 -9 29.90 14.60
-13 24 9 -7.70 17.20
-13 24 8 8.70 18.30
13 24 -8 -13.80 11.60
13 24 -7 -9.20 12.40
-13 24 7 6.20 18.10
13 24 -6 3.20 13.10
-13 24 6 29.30 17.80
13 24 -5 15.80 13.50
13 24 -5 30.10 18.30
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13 24 -4 29.00 17.60
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13 24 -4 13.40 13.40
13 24 -3 13.60 17.40
13 24 -3 1.00 16.00
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13 24 -2 3.10 17.50
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13 24 -1 111.29 21.40
-13 24 1 11.30 17.90
13 24 0 -23.90 16.00
-13 24 0 -26.70 17.30
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13 24 1 10.50 17.20
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13 24 3 6.40 16.70
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14 0 -34 -21.90 11.40
14 0 -33 -20.20 12.30
14 0 -32 8.70 13.10
14 0 -31 17.70 13.80
14 0 -30 141.49 20.10
14 0 -29 -3.80 12.00
14 0 -28 93.59 16.80
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14 0 -21 -3.40 8.20
14 0 -20 737.83 40.40
14 0 -19 3.10 7.60
14 0 -18 645.34 35.40
14 0 -17 -12.10 6.60
14 0 -16 339.17 21.50
14 0 -15 4.20 6.80
14 0 -14 37.10 8.30
14 0 -13 -2.50 5.10
14 0 -13 1.90 6.30
14 0 -12 138.49 10.70
14 0 -12 105.69 11.00
14 0 -11 0.90 6.00
14 0 -11 -9.20 5.10
14 0 -10 129.99 11.80
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14 0 -9 3.90 5.60
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14 0 -9 4.80 5.80
14 0 -8 -0.80 5.10
14 0 -8 7.30 5.80
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14 0 -7 -0.30 4.90
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14 0 -7 10.70 6.30
14 0 -6 67.29 8.50
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14 0 -6 88.19 7.70
14 0 -5 -4.90 6.50
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14 0 -4 34.80 8.10
14 0 -3 -0.20 6.80
14 0 -2 13.20 7.60
14 0 -1 -9.10 7.10
14 0 0 3.30 8.10
14 0 1 3.50 7.80
14 0 2 878.91 45.00
14 0 3 4.30 8.40
14 0 4 2652.83 124.99
14 0 5 0.50 8.40
14 0 6 130.09 14.00
-14 0 -6 121.89 10.20
14 0 6 121.99 10.00
-14 0 -7 -2.10 6.00
14 0 7 1.60 9.10
14 0 8 461.75 27.80
-14 0 -8 426.76 24.40
14 0 9 -7.70 9.00
-14 0 -9 -2.90 6.70
-14 0 -10 227.48 16.40
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14 0 13 -13.00 9.50
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14 0 14 39.80 11.90
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14 0 16 51.79 13.40
14 0 17 42.80 12.90
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14 0 18 21.70 12.50
14 0 19 5.10 12.40
-14 0 -19 -7.60 12.70
-14 0 -20 198.38 20.60
14 0 20 198.28 21.60
-14 0 -21 3.50 13.90
14 0 21 -0.40 12.70
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14 1 -34 -2.70 14.00
14 -1 -34 21.80 15.70
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14 -1 -33 10.30 13.90
14 1 -32 8.80 13.10
14 -1 -32 16.80 13.30
14 1 -31 19.20 13.30
14 -1 -31 26.70 14.30
14 1 -30 177.68 21.40
14 -1 -30 132.29 20.20
14 1 -29 177.28 22.10
14 -1 -29 202.28 22.70
14 1 -28 289.47 26.20
14 -1 -28 288.17 26.90
14 1 -27 126.49 19.10
14 -1 -27 132.49 18.60
14 1 -26 12.50 11.60
14 -1 -26 10.80 11.00
14 1 -25 -1.10 10.00
14 -1 -25 -1.60 10.30
14 1 -24 52.39 12.60
14 -1 -24 65.19 13.00
14 1 -23 12.20 10.30
14 -1 -23 7.00 9.40
14 1 -22 3.00 9.50
14 -1 -22 13.80 9.40
14 1 -21 115.79 14.30
14 -1 -21 101.89 13.80
14 1 -20 477.45 28.50
14 -1 -20 424.36 27.70
14 1 -19 92.49 12.50
14 -1 -19 78.49 11.50
14 1 -18 34.60 9.60
14 -1 -18 40.60 9.20
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14 -1 -17 40.00 9.00
14 1 -16 9.60 5.80
14 1 -16 -11.00 6.60
14 -1 -16 1.30 7.10
14 1 -15 29.90 8.20
14 1 -15 35.80 6.70
14 -1 -15 37.80 8.30
14 1 -14 53.39 8.80
14 1 -14 64.79 7.90
14 -1 -14 66.59 9.20
14 1 -13 3.40 6.50
14 1 -13 6.40 5.60
14 -1 -13 1.40 6.60
14 1 -12 5.10 5.90
14 1 -12 10.60 6.50
14 -1 -12 3.20 6.50
14 1 -11 140.59 12.30
14 1 -11 154.48 12.50
14 -1 -11 148.29 12.90
14 -1 -11 154.68 11.50
14 1 -10 729.03 37.30
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14 14 14 17.70 15.60
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14 14 15 13.40 13.50
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-14 -14 -15 12.60 12.00
-14 14 -16 28.90 17.20
14 14 16 54.19 15.50
-14 -14 -16 106.09 16.00
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14 -15 -27 41.20 20.40
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14 -15 -26 -19.70 16.50
14 15 -25 16.70 12.70
14 -15 -25 1.90 16.60
14 15 -24 9.80 12.50
14 -15 -24 12.50 16.50
14 15 -23 49.00 14.10
14 -15 -23 23.60 17.10
14 15 -22 10.50 12.10
14 -15 -22 -3.20 15.60
14 15 -21 187.68 19.70
14 -15 -21 187.88 24.00
14 15 -20 4.90 12.30
14 -15 -20 23.30 14.80
14 15 -19 5.80 10.50
14 -15 -19 2.70 14.60
14 15 -18 68.19 13.60
14 -15 -18 122.29 18.80
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14 -15 -17 18.10 14.50
14 15 -16 34.80 11.40
14 -15 -16 25.50 14.20
14 15 -15 8.00 10.00
14 -15 -15 31.70 14.30
14 15 -14 34.60 10.80
14 -15 -14 70.99 15.90
14 15 -13 78.99 12.40
14 -15 -13 71.49 15.30
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14 -15 -12 -3.30 11.90
14 15 -11 8.30 8.70
14 -15 -11 -8.70 10.90
14 15 -10 13.00 8.80
14 -15 -10 1.60 11.10
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14 -15 -8 8.80 11.40
14 15 -7 75.39 10.40
14 -15 -7 99.79 16.80
14 15 -6 53.29 8.90
14 -15 -6 68.59 14.40
14 15 -5 5.10 6.80
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14 15 -2 39.50 12.70
14 15 -2 36.80 8.40
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14 15 -1 43.50 12.20
14 15 0 59.89 13.80
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14 15 5 146.79 17.90
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14 21 -4 -1.20 10.10
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14 22 -9 -3.90 10.60
14 22 -8 -0.30 11.30
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14 22 -5 16.50 16.00
14 22 -5 16.00 11.50
-14 22 5 31.90 17.10
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14 22 -4 79.19 18.90
14 22 -4 95.49 15.00
14 22 -3 18.80 16.20
14 22 -3 40.80 12.20
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14 22 -2 6.80 16.10
14 22 -2 -10.00 10.20
14 22 -1 -8.70 10.20
-14 22 1 -16.20 16.90
14 22 -1 36.20 17.20
14 22 0 4.90 15.40
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14 22 0 3.40 12.80
-14 22 -1 14.20 17.80
14 22 1 8.20 17.00
14 22 2 117.89 20.10
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14 22 3 0.70 16.00
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14 22 4 48.60 18.40
-14 22 -4 15.90 18.40
14 22 5 44.20 17.60
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14 22 6 -11.10 16.60
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14 22 7 23.90 17.70
14 22 8 -3.60 15.90
-14 22 -8 -16.70 18.40
-14 22 -9 -10.10 18.80
14 22 9 7.00 15.90
-14 22 -10 61.59 21.10
14 22 10 63.99 18.90
14 23 -14 69.69 17.50
14 23 -13 16.40 14.20
14 23 -12 22.80 13.40
-14 23 11 58.99 19.80
14 23 -11 30.30 14.20
14 23 -10 0.30 12.10
-14 23 10 26.70 18.70
-14 23 9 -3.70 16.10
14 23 -9 -12.80 12.10
14 23 -8 -3.60 11.70
-14 23 8 18.40 16.10
14 23 -7 0.10 12.60
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14 23 -5 16.20 12.60
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14 23 -5 20.60 16.00
14 23 -4 9.30 16.30
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14 23 -3 -10.30 12.10
14 23 -3 27.20 17.80
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14 23 -1 -14.50 15.70
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-14 23 -1 -30.70 16.80
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14 23 4 42.20 17.80
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14 23 5 7.40 16.80
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14 24 -9 -5.60 13.50
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15 0 -34 39.10 16.10
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15 0 -32 79.39 17.40
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15 0 -30 115.29 18.50
15 0 -29 -4.50 11.90
15 0 -28 1.30 11.90
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15 0 -26 -2.40 10.30
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15 0 -15 11.60 7.00
15 0 -14 603.24 32.40
15 0 -14 612.14 30.90
15 0 -13 5.00 5.30
15 0 -13 -7.20 6.10
15 0 -12 2883.01 134.39
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15 0 -11 -1.90 6.00
15 0 -11 -1.30 5.40
15 0 -10 64.39 8.00
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15 0 -9 -6.00 5.40
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15 0 -7 -6.20 6.20
-15 0 7 2.10 5.40
15 0 -7 3.80 4.90
15 0 -6 209.48 13.10
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15 0 -5 -3.70 6.90
15 0 -4 131.19 12.00
15 0 -3 -0.60 7.70
15 0 -2 19.00 7.90
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15 0 0 5.00 8.50
15 0 1 -1.70 8.00
15 0 2 141.69 14.20
15 0 3 -2.40 8.50
15 0 4 142.59 13.90
15 0 5 -2.70 8.70
15 0 6 558.14 32.40
15 0 7 3.40 8.80
-15 0 -7 5.50 6.30
15 0 8 1247.48 63.69
-15 0 -8 1281.57 60.89
-15 0 -9 -1.10 7.00
15 0 9 14.20 9.80
-15 0 -10 633.14 33.40
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15 0 11 -4.60 9.40
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-15 0 -19 -11.50 12.40
15 0 19 -1.30 12.90
15 0 20 68.69 16.70
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15 0 21 12.90 14.00
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15 0 22 29.70 14.70
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15 0 23 -13.30 13.80
-15 0 -24 21.90 14.40
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-15 0 -26 64.69 16.40
-15 0 -27 -38.90 14.70
15 1 -34 10.90 14.60
15 -1 -34 12.90 14.50
15 1 -33 -1.60 12.50
15 -1 -33 -1.90 13.20
15 1 -32 -10.10 12.70
15 -1 -32 32.60 15.10
15 1 -31 3.20 13.20
15 -1 -31 13.30 14.50
15 1 -30 12.10 12.90
15 -1 -30 28.20 13.60
15 1 -29 7.20 12.40
15 -1 -29 14.50 13.40
15 1 -28 24.20 13.20
15 -1 -28 1.10 12.00
15 1 -27 3.10 11.60
15 -1 -27 10.40 11.60
15 1 -26 8.20 11.40
15 -1 -26 11.90 11.00
15 1 -25 4.30 10.60
15 -1 -25 11.00 10.60
15 1 -24 12.30 10.30
15 -1 -24 -7.60 9.40
15 1 -23 79.49 13.50
15 -1 -23 97.69 14.30
15 1 -22 373.66 26.80
15 -1 -22 421.46 26.90
15 1 -21 269.87 21.70
15 -1 -21 287.87 21.60
15 1 -20 190.78 17.40
15 -1 -20 183.48 17.40
15 1 -19 26.80 9.10
15 -1 -19 29.30 9.50
15 1 -18 30.50 9.20
15 -1 -18 21.00 8.70
15 1 -17 74.99 10.50
15 1 -17 68.89 8.50
15 -1 -17 49.30 9.50
15 1 -16 39.00 8.60
15 1 -16 36.40 6.90
15 -1 -16 38.40 8.60
15 1 -15 40.40 7.20
15 1 -15 21.50 7.90
15 -1 -15 30.00 8.20
15 1 -14 145.39 12.60
15 1 -14 187.68 14.00
15 -1 -14 149.29 13.40
15 1 -13 145.09 12.50
15 1 -13 140.89 12.10
15 -1 -13 130.59 12.30
15 1 -12 5.10 6.50
15 1 -12 11.30 6.30
15 -1 -12 9.70 6.70
15 -1 -12 7.60 5.50
15 1 -11 -8.30 5.70
15 1 -11 -3.10 5.90
15 -1 -11 -1.20 5.40
15 -1 -11 3.40 6.10
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15 -1 -10 6.60 5.80
15 -1 -10 -12.20 5.70
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15 -1 -9 9.10 6.30
15 -1 -9 7.00 5.80
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15 1 -8 29.30 6.00
15 -1 -8 28.10 7.10
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15 -1 -8 22.70 6.20
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15 -1 -7 27.40 7.60
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15 -1 -7 17.00 5.90
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15 -1 -6 96.39 10.40
15 -1 -6 97.39 8.50
-15 1 5 199.18 12.80
15 1 -5 210.28 15.60
15 -1 -5 196.98 12.70
15 -1 -5 210.28 15.70
-15 1 4 371.76 20.00
15 1 -4 393.56 22.90
15 -1 -4 377.16 22.80
15 -1 -4 380.06 19.80
15 1 -3 595.04 31.00
15 -1 -3 547.35 31.00
15 1 -2 152.08 14.80
15 -1 -2 167.78 15.20
15 1 -1 -5.40 7.30
15 -1 -1 -6.10 7.80
15 1 0 132.19 13.00
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15 -1 1 64.19 10.20
15 1 2 16.00 8.50
15 -1 2 12.80 8.50
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15 -1 3 26.50 9.50
15 -1 3 10.90 5.10
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15 -1 4 5.00 4.70
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-15 1 -5 20.10 6.60
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15 -1 5 32.90 10.20
-15 1 -6 183.08 13.50
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15 -1 6 199.88 17.90
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15 -1 11 55.49 12.10
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15 -1 12 68.29 12.70
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-15 -1 -17 83.99 14.20
-15 1 -18 264.37 23.40
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15 1 19 275.17 25.30
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-15 -1 -19 254.17 23.20
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15 1 23 -8.40 13.10
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15 -2 -33 -1.20 13.90
15 2 -32 37.30 14.30
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15 -2 -31 134.29 20.20
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15 -2 -30 6.30 13.60
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15 -2 -29 17.70 13.30
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15 -2 -28 65.99 15.40
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15 -2 -27 23.90 12.90
15 2 -26 66.39 14.70
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15 2 -24 44.50 12.60
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15 2 -22 -1.10 9.60
15 -2 -22 7.20 9.20
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15 -2 -19 -0.20 8.20
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15 -2 -17 9.40 7.70
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15 -2 -16 7.50 7.20
15 2 -15 558.94 30.70
15 2 -15 558.34 29.70
15 -2 -15 570.24 31.10
15 2 -14 159.08 13.50
15 2 -14 179.18 14.30
15 -2 -14 187.38 14.90
15 2 -13 1704.03 79.59
15 2 -13 1658.33 79.09
15 -2 -13 1647.74 79.89
15 2 -12 9.70 6.70
15 2 -12 12.40 6.50
15 -2 -12 8.60 6.90
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15 2 -11 1195.08 56.29
15 -2 -11 1125.69 55.49
15 -2 -11 1178.78 56.79
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15 -2 -6 118.79 10.30
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15 -2 -5 100.89 8.90
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15 -2 -4 19.00 7.80
15 -2 -4 25.20 5.60
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15 -2 -3 65.99 9.90
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22 -12 -21 22.00 13.90
22 12 -20 34.40 11.10
22 -12 -20 14.80 13.60
22 12 -19 65.99 12.30
22 12 -19 38.10 14.40
22 -12 -19 72.89 15.50
22 12 -18 18.20 13.30
22 12 -18 22.50 10.00
22 -12 -18 1.90 11.90
22 12 -17 76.89 12.30
22 12 -17 73.59 15.40
22 -12 -17 88.99 15.50
22 12 -16 73.29 15.70
22 12 -16 82.39 11.70
22 -12 -16 66.89 15.00
22 12 -15 69.79 15.30
22 12 -15 79.09 11.20
22 -12 -15 95.49 15.90
22 12 -14 56.69 14.70
22 -12 -14 22.80 12.40
22 12 -13 1.10 12.30
22 12 -13 20.10 8.10
22 -12 -13 19.30 11.80
22 12 -12 6.30 12.40
22 -12 -12 27.70 11.70
22 -12 -11 86.29 14.30
22 12 -10 22.90 13.10
22 -12 -10 -12.50 10.20
22 12 -9 9.30 13.20
22 -12 -9 18.40 11.20
22 12 -8 256.07 23.60
22 -12 -8 286.17 23.90
22 12 -7 28.50 12.30
22 -12 -7 -4.10 11.50
22 12 -6 86.09 16.00
-22 12 5 34.50 13.60
22 12 -5 57.79 14.40
22 12 -4 10.40 11.70
-22 12 4 6.00 11.60
22 12 -3 31.90 12.80
-22 12 3 24.70 13.20
22 12 -2 35.30 13.10
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22 12 -1 -6.20 11.40
22 12 0 288.67 27.10
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22 12 1 -3.40 13.20
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22 12 2 7.50 13.20
-22 12 -2 -3.70 12.00
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22 12 3 -1.10 13.10
22 12 4 -6.40 13.30
-22 12 -4 3.50 11.50
22 12 5 42.20 15.50
-22 12 -5 40.40 14.20
-22 12 -6 31.50 14.00
22 12 6 17.90 14.40
-22 12 -7 119.39 17.40
22 12 7 132.79 20.00
-22 12 -8 2.40 13.00
22 12 8 -11.30 14.00
-22 12 -9 15.00 13.70
22 12 9 13.10 15.20
-22 12 -10 34.50 14.80
22 12 10 36.60 16.50
-22 12 -11 16.50 14.60
22 12 11 2.80 15.70
-22 12 -12 10.90 14.10
22 12 12 9.70 15.80
-22 12 -13 20.00 13.80
22 12 13 55.19 17.50
-22 12 -14 -18.10 15.10
22 12 14 -2.10 15.10
22 12 15 18.20 16.10
-22 12 -15 -3.30 15.20
-22 12 -16 2.00 15.10
22 12 16 16.90 16.70
-22 12 -17 -6.30 16.40
22 12 17 23.70 16.70
22 12 18 80.79 19.90
-22 12 -18 67.19 20.00
22 13 -28 40.00 13.50
22 -13 -28 5.00 14.60
22 13 -27 48.40 13.90
22 -13 -27 57.89 17.60
22 13 -26 -5.10 11.60
22 -13 -26 24.90 16.10
22 13 -25 120.99 17.30
22 -13 -25 86.79 18.20
22 13 -24 16.40 12.10
22 -13 -24 11.30 15.60
22 13 -23 30.50 11.90
22 -13 -23 21.80 14.50
22 13 -22 13.50 11.10
22 -13 -22 30.00 14.60
22 13 -21 14.90 10.90
22 -13 -21 -5.90 13.60
22 13 -20 6.10 10.30
22 -13 -20 7.00 14.30
22 13 -19 11.80 14.10
22 13 -19 4.00 9.90
22 -13 -19 31.60 14.40
22 13 -18 56.19 12.00
22 13 -18 78.69 16.00
22 -13 -18 61.09 15.10
22 13 -17 -3.80 13.00
22 13 -17 6.70 9.00
22 -13 -17 8.20 12.80
22 13 -16 43.90 10.20
22 13 -16 45.10 14.30
22 -13 -16 33.00 13.50
22 13 -15 10.40 8.90
22 13 -15 -9.30 13.30
22 -13 -15 6.50 11.90
22 13 -14 -4.20 11.80
22 13 -14 18.80 8.30
22 -13 -14 -10.70 11.20
22 13 -13 12.40 13.50
22 -13 -13 7.10 11.60
22 13 -12 24.60 13.90
22 -13 -12 23.10 12.50
22 13 -11 17.00 13.10
22 -13 -11 5.50 11.00
22 13 -10 63.29 14.60
22 -13 -10 74.59 14.50
22 13 -9 -1.80 12.90
22 -13 -9 12.70 11.80
22 13 -8 16.70 13.50
22 -13 -8 30.40 12.70
22 13 -7 36.30 13.40
22 -13 -7 19.90 12.90
22 13 -6 106.19 16.90
22 13 -5 7.00 12.10
-22 13 5 -2.60 11.80
-22 13 4 39.40 13.60
22 13 -4 88.99 16.30
22 13 -3 187.08 20.00
-22 13 3 168.28 20.00
-22 13 2 -14.20 11.50
22 13 -2 12.00 12.40
-22 13 1 21.60 13.00
22 13 -1 60.59 14.80
-22 13 0 60.39 15.40
22 13 0 104.19 17.00
-22 13 -1 31.00 13.50
22 13 1 43.20 14.40
-22 13 -2 35.20 13.40
22 13 2 32.20 14.80
22 13 3 84.29 17.40
-22 13 -3 61.69 14.30
-22 13 -4 20.80 12.80
22 13 4 27.40 15.20
-22 13 -5 17.10 12.90
22 13 5 30.50 15.10
22 13 6 -16.00 14.10
-22 13 -6 5.60 13.30
-22 13 -7 31.10 14.40
22 13 7 43.90 16.20
22 13 8 22.30 15.30
-22 13 -8 46.50 14.50
-22 13 -9 66.49 16.30
22 13 9 121.69 19.40
-22 13 -10 38.20 15.20
22 13 10 30.90 16.10
-22 13 -11 -2.50 15.20
22 13 11 19.10 16.50
22 13 12 2.50 16.00
-22 13 -12 20.40 16.10
-22 13 -13 -5.20 12.50
22 13 13 38.80 17.50
22 13 14 -5.20 15.40
22 13 15 71.49 18.80
-22 13 -15 69.59 18.00
-22 13 -16 -4.70 15.40
22 13 16 2.30 16.70
-22 13 -17 57.99 18.20
22 13 17 46.80 17.70
-22 13 -18 -22.10 18.30
22 13 18 -19.10 14.70
22 14 -27 11.60 12.20
22 -14 -27 -10.40 14.90
22 14 -26 14.50 11.70
22 -14 -26 -14.30 14.20
22 14 -25 11.80 12.50
22 -14 -25 59.59 16.90
22 14 -24 -5.80 11.00
22 -14 -24 6.10 14.60
22 14 -23 41.50 12.60
22 -14 -23 8.10 15.20
22 14 -22 -14.10 10.20
22 -14 -22 -8.10 14.10
22 14 -21 59.59 13.00
22 -14 -21 38.60 16.00
22 14 -20 17.70 10.90
22 -14 -20 10.30 13.30
22 14 -19 -6.60 9.00
22 -14 -19 10.20 13.70
22 14 -18 60.19 16.60
22 14 -18 101.99 13.40
22 -14 -18 89.39 17.60
22 14 -17 12.10 13.70
22 14 -17 7.40 9.20
22 -14 -17 -2.00 12.90
22 14 -16 -0.20 8.80
22 14 -16 -6.80 12.90
22 -14 -16 -8.10 12.00
22 14 -15 99.89 16.90
22 14 -15 95.49 12.20
22 -14 -15 66.09 16.40
22 14 -14 33.40 13.80
22 14 -14 20.90 9.00
22 -14 -14 7.10 12.00
22 14 -13 47.00 14.30
22 -14 -13 46.10 14.40
22 14 -12 2.70 13.40
22 -14 -12 24.40 12.80
22 14 -11 24.20 14.30
22 -14 -11 17.10 12.30
22 14 -10 100.39 17.50
22 -14 -10 116.69 17.60
22 14 -9 51.69 15.00
22 -14 -9 57.29 14.80
22 14 -8 16.60 14.20
22 -14 -8 5.60 12.90
22 14 -7 116.79 18.30
-22 14 6 2.00 12.90
22 14 -6 0.80 12.80
-22 14 5 25.10 13.30
22 14 -5 28.60 14.40
-22 14 4 -0.60 12.00
22 14 -4 10.10 12.70
-22 14 3 -5.60 12.90
22 14 -3 -4.90 13.00
-22 14 2 -1.50 11.80
22 14 -2 9.50 13.30
22 14 -1 214.98 22.20
-22 14 1 175.68 19.90
-22 14 0 12.10 12.70
22 14 0 16.50 13.60
22 14 1 119.29 18.40
-22 14 -1 104.09 17.40
22 14 2 3.00 13.90
-22 14 -2 1.40 12.50
-22 14 -3 -8.80 12.00
22 14 3 -4.30 13.10
22 14 4 16.20 14.40
-22 14 -4 8.20 12.80
-22 14 -5 13.10 13.00
22 14 5 -10.00 14.30
22 14 6 52.89 16.60
-22 14 -6 5.00 13.40
22 14 7 48.50 16.30
-22 14 -7 34.90 14.40
-22 14 -8 14.30 13.90
22 14 8 28.60 16.60
22 14 9 -1.60 16.40
-22 14 -9 0.70 13.10
-22 14 -10 13.80 13.40
22 14 10 3.40 15.50
22 14 11 7.50 15.50
-22 14 -11 30.20 15.70
-22 14 -12 -4.10 15.80
22 14 12 -13.70 15.60
22 14 13 2.30 15.90
-22 14 -13 -5.50 12.40
22 14 14 22.50 17.40
-22 14 -14 13.10 13.00
-22 14 -15 -16.70 14.50
22 14 15 8.90 15.60
22 14 16 -29.90 15.00
-22 14 -16 22.30 16.20
-22 14 -17 30.90 17.30
22 14 17 16.30 17.00
22 15 -26 7.40 12.90
22 -15 -26 44.20 18.00
22 15 -25 22.00 12.30
22 -15 -25 15.30 16.90
22 15 -24 28.30 12.70
22 -15 -24 45.10 16.90
22 15 -23 52.79 13.40
22 -15 -23 34.20 16.30
22 15 -22 11.70 11.30
22 -15 -22 -12.40 14.00
22 15 -21 27.20 11.50
22 -15 -21 -5.40 14.40
22 15 -20 17.70 10.50
22 -15 -20 -11.30 13.70
22 15 -19 23.10 10.90
22 -15 -19 11.70 14.20
22 15 -18 143.79 19.30
22 15 -18 -3.90 9.00
22 -15 -18 4.70 14.10
22 15 -17 96.09 17.60
22 15 -17 114.09 14.10
22 -15 -17 115.89 18.90
22 15 -16 -2.50 9.00
22 15 -16 10.00 14.30
22 -15 -16 -6.90 13.00
22 15 -15 16.60 9.30
22 15 -15 37.20 14.80
22 -15 -15 15.70 13.50
22 15 -14 -11.40 12.50
22 15 -14 13.50 9.00
22 -15 -14 18.70 13.30
22 15 -13 2.40 13.10
22 15 -13 18.40 8.60
22 -15 -13 4.20 12.60
22 15 -12 1.40 13.20
22 -15 -12 10.40 13.10
22 15 -11 -1.90 13.80
22 -15 -11 -12.20 12.10
22 15 -10 -7.60 13.10
22 -15 -10 -16.20 12.40
22 15 -9 9.80 13.20
22 -15 -9 42.90 14.60
22 15 -8 13.20 13.10
22 15 -7 24.30 14.20
22 15 -6 18.80 14.00
-22 15 6 9.70 12.60
22 15 -5 220.98 22.20
-22 15 5 116.69 18.80
22 15 -4 38.40 14.80
-22 15 4 3.10 13.80
22 15 -3 -12.90 13.40
-22 15 3 -17.70 12.40
-22 15 2 83.19 17.00
22 15 -2 96.19 17.20
-22 15 1 28.10 13.60
22 15 -1 17.10 13.90
-22 15 0 9.80 13.10
22 15 0 -6.00 13.60
-22 15 -1 33.60 15.10
22 15 1 71.19 17.00
-22 15 -2 11.60 13.50
22 15 2 25.90 15.20
-22 15 -3 3.00 12.70
22 15 3 26.10 15.00
22 15 4 41.70 16.30
-22 15 -4 35.20 14.20
-22 15 -5 12.30 13.60
22 15 5 22.70 15.40
22 15 6 6.30 15.00
-22 15 -6 12.00 14.10
-22 15 -7 1.20 12.60
22 15 7 4.00 15.50
-22 15 -8 12.30 13.30
22 15 8 41.50 17.00
-22 15 -9 52.49 15.70
22 15 9 69.49 17.70
22 15 10 25.50 16.70
-22 15 -10 3.20 13.80
22 15 11 11.90 16.70
-22 15 -11 12.40 15.70
22 15 12 17.90 17.00
-22 15 -12 14.30 16.00
22 15 13 -3.80 16.90
-22 15 -13 29.30 17.00
22 15 14 35.90 17.40
-22 15 -14 15.30 14.90
-22 15 -15 18.50 14.90
22 15 15 8.20 17.80
-22 15 -16 -2.40 16.60
22 15 16 -10.80 16.90
22 16 -25 -2.50 12.10
22 -16 -25 -17.30 14.70
22 16 -24 -4.10 12.20
22 -16 -24 4.70 15.90
22 16 -23 17.20 12.40
22 -16 -23 3.10 14.80
22 16 -22 28.30 12.20
22 -16 -22 16.60 15.60
22 16 -21 8.10 10.30
22 -16 -21 -11.40 14.10
22 16 -20 -6.30 10.00
22 -16 -20 -2.10 14.90
22 16 -19 40.60 12.00
22 -16 -19 23.10 14.90
22 16 -18 -0.80 9.50
22 16 -18 12.80 15.10
22 -16 -18 -15.20 13.60
22 16 -17 26.60 14.90
22 16 -17 18.20 10.00
22 -16 -17 -2.30 13.80
22 16 -16 30.50 10.80
22 16 -16 27.30 14.60
22 -16 -16 33.30 15.50
22 16 -15 27.40 9.80
22 16 -15 7.50 14.30
22 -16 -15 4.20 13.80
22 16 -14 27.30 9.90
22 16 -14 28.60 15.70
22 -16 -14 37.00 15.60
22 16 -13 5.30 13.50
22 16 -13 26.40 9.40
22 -16 -13 22.60 13.50
22 16 -12 -0.60 7.80
22 16 -12 -6.10 14.40
22 -16 -12 -18.70 12.90
22 16 -11 34.70 15.70
22 -16 -11 21.90 14.00
22 16 -10 16.20 14.80
22 -16 -10 21.70 14.70
22 16 -9 14.30 14.70
22 -16 -9 67.59 16.80
22 16 -8 90.69 18.10
-22 16 7 25.20 14.80
22 16 -7 52.99 15.90
22 16 -6 43.60 16.40
-22 16 6 31.10 13.80
-22 16 5 -3.50 12.90
22 16 -5 -10.70 14.20
22 16 -4 1.80 14.50
-22 16 4 -15.00 12.60
-22 16 3 5.60 13.20
22 16 -3 -8.20 14.40
22 16 -2 18.00 15.00
-22 16 2 22.90 13.30
22 16 -1 111.59 19.50
-22 16 1 46.90 14.80
-22 16 0 33.40 14.10
22 16 0 75.59 17.30
22 16 1 29.80 15.50
-22 16 -1 15.30 13.50
-22 16 -2 -4.40 12.50
22 16 2 -16.80 14.20
-22 16 -3 5.10 13.50
22 16 3 16.90 15.60
22 16 4 3.10 14.50
-22 16 -4 5.50 13.80
-22 16 -5 34.30 14.10
22 16 5 32.00 16.10
22 16 6 14.50 15.40
-22 16 -7 -8.50 13.00
22 16 7 18.40 15.60
22 16 8 29.30 16.90
-22 16 -8 25.00 14.40
-22 16 -9 4.30 13.90
22 16 9 -10.90 15.80
22 16 10 -6.80 15.30
-22 16 -10 15.30 14.80
22 16 11 -5.30 15.60
-22 16 -11 0.70 15.10
-22 16 -12 1.60 16.80
22 16 12 14.40 16.00
-22 16 -13 18.70 17.40
22 16 13 3.60 16.30
-22 16 -14 -20.00 13.30
22 16 14 -3.70 17.70
22 17 -24 24.80 13.40
22 17 -23 8.60 13.70
22 -17 -23 14.30 15.70
22 17 -22 3.80 10.90
22 -17 -22 -3.00 15.10
22 17 -21 6.40 11.00
22 -17 -21 11.90 15.00
22 17 -20 -0.20 10.80
22 -17 -20 13.90 15.80
22 17 -19 31.60 11.50
22 -17 -19 10.50 16.00
22 17 -18 116.49 15.30
22 -17 -18 88.49 18.70
22 17 -17 3.30 14.80
22 17 -17 2.30 10.20
22 -17 -17 -5.30 14.30
22 17 -16 78.99 17.80
22 17 -16 137.39 15.10
22 -17 -16 128.69 20.70
22 17 -15 -3.00 14.30
22 17 -15 0.80 9.30
22 -17 -15 18.00 15.10
22 17 -14 4.90 9.40
22 17 -14 -8.80 13.70
22 -17 -14 -5.40 13.20
22 17 -13 11.90 14.30
22 17 -13 4.90 9.20
22 -17 -13 1.90 14.40
22 17 -12 -6.20 13.70
22 -17 -12 12.80 14.50
22 17 -11 -6.30 13.60
22 -17 -11 -4.90 14.10
22 17 -10 40.20 16.40
22 -17 -10 76.19 18.40
22 17 -9 4.50 15.00
-22 17 8 -13.00 14.30
22 17 -8 -21.90 14.10
-22 17 7 2.10 13.30
22 17 -7 20.60 16.20
-22 17 6 8.50 14.00
22 17 -6 32.00 16.20
-22 17 5 12.40 14.40
22 17 -5 25.60 15.30
22 17 -4 42.90 17.10
-22 17 4 50.99 16.40
22 17 -3 8.50 15.20
-22 17 3 -1.50 13.30
-22 17 2 5.60 13.80
22 17 -2 24.10 16.40
-22 17 1 0.60 13.70
22 17 -1 17.30 15.40
22 17 0 25.90 15.80
-22 17 0 18.70 14.90
22 17 1 19.40 15.20
-22 17 -1 8.20 14.20
22 17 2 96.89 18.50
-22 17 -2 77.99 16.90
-22 17 -3 4.50 13.60
22 17 3 5.90 15.10
22 17 4 -0.20 15.00
-22 17 -4 -0.40 13.80
22 17 5 17.80 16.30
-22 17 -5 22.60 14.50
-22 17 -6 -6.10 14.50
22 17 6 -2.90 16.00
-22 17 -7 1.50 14.30
22 17 7 3.20 15.70
-22 17 -8 38.20 14.90
22 17 8 54.49 17.90
-22 17 -9 -1.50 14.40
22 17 9 -11.30 15.60
22 17 10 42.90 17.50
-22 17 -10 -7.60 14.00
22 17 11 -14.90 15.90
-22 17 -11 -1.60 15.70
22 17 12 -7.30 16.20
-22 17 -12 4.80 16.60
22 17 13 1.80 16.90
-22 17 -13 10.80 16.40
22 18 -22 9.50 11.40
22 -18 -22 25.30 16.80
22 18 -21 -23.20 10.30
22 -18 -21 -7.80 15.10
22 18 -20 -4.20 10.40
22 -18 -20 13.80 16.40
22 18 -19 -2.50 10.70
22 -18 -19 0.50 15.10
22 18 -18 11.20 15.00
22 18 -18 13.00 11.60
22 -18 -18 6.00 15.70
22 18 -17 24.30 15.80
22 18 -17 5.50 10.60
22 -18 -17 14.10 15.20
22 18 -16 10.20 9.90
22 18 -16 12.60 16.20
22 -18 -16 15.90 16.00
22 18 -15 11.00 15.10
22 18 -15 6.60 9.90
22 -18 -15 -12.90 13.70
22 18 -14 76.19 17.40
22 18 -14 86.89 13.00
22 -18 -14 79.39 19.10
22 18 -13 7.20 14.50
22 -18 -13 6.60 14.90
22 18 -12 21.20 16.20
22 -18 -12 39.00 15.60
22 18 -11 -9.20 14.50
22 -18 -11 30.60 15.80
22 18 -10 54.19 17.10
22 18 -9 37.80 15.40
22 18 -8 109.59 20.30
-22 18 7 28.30 14.10
22 18 -7 90.49 18.80
-22 18 6 12.40 13.90
22 18 -6 8.70 15.30
-22 18 5 11.00 14.90
22 18 -5 4.40 15.80
22 18 -4 -2.10 15.00
-22 18 4 -3.30 14.00
22 18 -3 3.90 15.10
-22 18 3 1.40 13.70
22 18 -2 -1.20 15.30
-22 18 2 -10.10 13.20
-22 18 1 9.90 14.50
22 18 -1 -5.20 14.50
-22 18 0 46.70 16.60
22 18 0 73.99 17.30
22 18 1 -1.00 14.90
-22 18 -1 -2.00 14.00
22 18 2 -8.30 14.90
-22 18 -2 7.80 14.50
22 18 3 17.70 16.60
-22 18 -3 -6.20 13.60
-22 18 -4 7.30 14.40
22 18 4 83.89 20.00
-22 18 -5 2.40 15.00
22 18 5 -7.40 16.00
-22 18 -6 -8.30 14.30
22 18 6 8.90 16.50
22 18 7 21.10 16.80
-22 18 -8 4.00 14.40
22 18 8 11.10 16.30
22 18 9 -0.10 16.00
-22 18 -9 -11.20 14.40
-22 18 -10 -0.60 14.80
22 18 10 1.00 16.30
-22 18 -11 -7.50 15.80
22 18 11 -16.80 15.10
22 18 12 5.00 16.90
-22 18 -12 -1.60 17.30
22 19 -20 14.70 11.70
22 -19 -20 14.40 17.10
22 19 -19 19.20 11.80
22 -19 -19 9.10 16.10
22 19 -18 8.80 11.40
22 19 -18 -12.80 15.50
22 -19 -18 11.30 15.90
22 19 -17 88.79 20.00
22 19 -17 44.30 17.30
22 -19 -17 73.99 18.90
22 19 -16 16.30 15.70
22 -19 -16 30.20 16.40
22 19 -15 -8.80 14.10
22 -19 -15 20.40 17.00
22 19 -14 4.50 15.30
22 -19 -14 2.90 16.10
22 19 -13 16.20 16.00
22 -19 -13 9.60 16.10
22 19 -12 -13.00 15.00
22 -19 -12 30.30 17.30
22 19 -11 7.50 15.90
22 19 -10 26.50 16.40
-22 19 9 17.00 15.90
22 19 -9 5.50 15.40
-22 19 8 -7.00 13.00
22 19 -8 43.60 16.80
-22 19 7 -1.90 13.10
22 19 -7 9.20 15.50
-22 19 6 7.30 14.50
22 19 -6 17.10 16.70
-22 19 5 6.60 14.20
22 19 -5 29.50 18.30
22 19 -4 -2.50 15.30
-22 19 4 16.00 15.00
-22 19 3 2.70 13.80
22 19 -3 -1.30 15.90
-22 19 2 5.70 14.30
22 19 -2 2.40 16.00
22 19 -1 7.50 16.10
-22 19 1 5.70 14.20
22 19 0 -7.30 14.00
-22 19 0 -16.30 13.70
-22 19 -1 47.30 17.30
22 19 1 76.09 19.20
22 19 2 37.60 16.40
-22 19 -2 1.60 14.30
-22 19 -3 11.10 15.30
22 19 3 28.80 17.50
22 19 4 1.30 15.80
-22 19 -4 -21.30 13.70
-22 19 -5 0.90 14.50
22 19 5 -20.80 15.90
22 19 6 13.30 16.70
-22 19 -6 18.70 16.00
22 19 7 9.40 16.90
-22 19 -7 17.00 15.10
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24 0 -19 3.90 8.90
24 0 -18 261.87 19.10
24 0 -18 232.98 19.60
24 0 -17 9.70 8.30
24 0 -17 5.20 7.90
24 0 -16 1033.70 51.79
24 0 -16 999.40 51.69
24 0 -15 4.40 9.10
24 0 -15 9.70 7.90
24 0 -14 428.06 24.70
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24 0 -13 -4.10 6.80
24 0 -13 6.10 9.50
24 0 -12 8.90 9.50
24 0 -12 -5.00 6.80
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24 0 -11 0.90 9.40
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24 0 -8 27.40 11.60
24 0 -7 -13.70 10.20
24 0 -6 149.19 16.40
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24 0 -4 -4.20 10.00
24 0 -3 -5.10 10.20
24 0 -2 59.79 13.20
24 0 -1 -8.60 10.00
24 0 0 63.49 14.00
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30 13 -3 36.30 18.90
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30 13 1 18.30 16.90
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30 18 -14 25.70 21.60
30 -18 -14 32.10 18.90
30 18 -13 12.40 21.50
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30 18 -11 0.50 20.00
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30 18 -4 5.80 19.00
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30 18 -3 -2.10 17.70
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31 0 -28 -8.90 12.60
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31 0 -20 85.69 14.20
31 0 -19 -5.20 10.00
31 0 -19 10.00 12.70
31 0 -18 391.66 29.40
31 0 -18 355.16 25.50
31 0 -17 3.40 13.40
31 0 -17 7.90 9.90
31 0 -16 12.30 13.60
31 0 -16 -7.50 9.10
31 0 -15 -8.00 13.50
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31 0 -14 0.70 8.60
31 0 -13 -15.30 13.40
31 0 -12 230.18 23.70
31 0 -11 -5.30 14.30
31 0 -10 303.77 27.70
31 0 -9 -5.40 14.80
31 0 -8 -1.60 15.40
31 0 -7 -9.50 14.50
31 0 -6 49.60 17.40
31 0 -5 -5.70 15.10
31 0 -4 36.20 16.20
31 0 -3 -6.70 16.10
31 0 -2 166.28 23.40
31 0 -1 1.10 15.90
31 0 0 216.18 25.30
31 0 1 15.30 16.30
31 0 2 55.89 17.80
31 0 3 29.70 17.90
31 0 4 22.20 17.70
31 0 5 -1.70 17.10
31 0 6 -8.80 15.80
31 0 7 -9.20 18.10
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31 0 9 -40.30 17.30
31 0 10 -15.10 17.10
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31 0 12 -9.00 18.10
31 0 13 11.50 20.10
31 0 14 58.59 22.10
31 0 15 -16.50 19.20
31 0 16 0.10 19.80
31 1 -31 22.90 15.30
31 -1 -31 31.00 16.30
31 1 -30 -4.60 13.30
31 -1 -30 0.50 15.10
31 1 -29 22.90 14.00
31 -1 -29 6.30 13.90
31 1 -28 50.69 15.20
31 -1 -28 54.39 15.60
31 1 -27 39.00 15.00
31 -1 -27 71.09 15.90
31 1 -26 17.50 13.20
31 -1 -26 3.60 13.30
31 1 -25 5.50 12.10
31 -1 -25 -5.50 12.50
31 1 -24 33.40 13.30
31 -1 -24 26.50 13.00
31 1 -23 -20.20 11.00
31 -1 -23 18.20 12.80
31 1 -22 0.70 11.00
31 1 -22 3.40 11.00
31 -1 -22 -6.20 11.30
31 1 -21 26.30 13.00
31 1 -21 15.90 10.90
31 -1 -21 6.80 11.10
31 -1 -21 9.40 12.00
31 1 -20 58.19 14.40
31 1 -20 53.79 12.30
31 -1 -20 38.00 12.10
31 -1 -20 42.60 13.00
31 1 -19 76.99 16.10
31 1 -19 59.69 12.40
31 -1 -19 32.20 13.10
31 -1 -19 65.29 13.20
31 1 -18 -23.30 9.30
31 1 -18 18.40 13.90
31 -1 -18 15.30 11.10
31 -1 -18 -4.30 11.80
31 1 -17 13.80 14.00
31 1 -17 3.30 9.60
31 -1 -17 3.30 12.70
31 -1 -17 14.90 10.60
31 1 -16 -5.70 9.10
31 1 -16 -6.30 13.70
31 -1 -16 1.50 12.70
31 -1 -16 18.50 10.40
31 1 -15 8.70 14.60
31 1 -15 6.00 9.10
31 -1 -15 -10.60 8.50
31 -1 -15 17.30 13.50
31 1 -14 18.10 14.80
31 -1 -14 27.30 9.90
31 -1 -14 22.40 14.20
31 1 -13 11.80 14.80
31 -1 -13 1.90 8.40
31 -1 -13 3.00 13.40
31 1 -12 120.19 19.20
31 -1 -12 75.29 17.10
31 1 -11 187.78 22.40
31 -1 -11 172.18 21.50
31 1 -10 627.04 41.00
31 -1 -10 630.54 40.40
31 1 -9 366.66 32.40
31 -1 -9 394.46 31.20
31 1 -8 324.77 29.40
31 -1 -8 307.47 29.00
31 1 -7 38.60 17.10
31 -1 -7 43.90 16.90
31 1 -6 -15.00 14.90
31 -1 -6 9.80 16.00
31 1 -5 -8.90 14.70
31 -1 -5 0.80 15.60
31 1 -4 62.69 17.60
31 -1 -4 37.30 17.00
31 1 -3 38.10 17.70
31 -1 -3 79.69 19.50
31 -1 -2 118.19 20.70
31 1 -1 11.30 16.50
31 -1 -1 -3.70 16.00
31 1 0 16.80 16.30
31 -1 0 17.80 16.60
31 1 1 -3.40 15.70
31 -1 1 6.50 17.30
31 1 2 26.20 16.30
31 -1 2 3.00 18.90
31 1 3 -12.30 15.80
31 -1 3 22.40 18.20
31 1 4 56.09 18.70
31 -1 4 100.59 20.80
31 1 5 31.10 18.10
31 -1 5 9.50 18.00
31 1 6 23.00 17.50
31 -1 6 5.10 18.20
31 1 7 44.50 19.30
31 -1 7 18.10 18.10
31 1 8 47.60 19.20
31 -1 8 78.89 20.70
31 1 9 33.90 19.40
31 -1 9 32.70 19.20
31 1 10 22.90 18.60
31 -1 10 13.60 19.40
31 1 11 -7.90 17.70
31 -1 11 19.30 19.40
31 1 12 80.79 21.70
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31 1 13 82.19 22.60
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31 2 -21 -1.20 12.70
31 -2 -21 8.30 11.80
31 2 -20 16.50 10.90
31 2 -20 29.70 13.80
31 -2 -20 7.90 11.70
31 -2 -20 28.00 12.50
31 2 -19 465.05 32.10
31 2 -19 438.46 28.50
31 -2 -19 405.46 30.00
31 -2 -19 488.05 30.30
31 2 -18 20.10 10.40
31 2 -18 52.99 15.70
31 -2 -18 24.20 11.50
31 -2 -18 51.99 13.60
31 2 -17 178.48 17.10
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31 2 -15 -17.00 13.50
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31 -2 -15 9.90 9.60
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31 -2 -14 -14.80 8.90
31 -2 -14 27.60 14.50
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31 -2 -13 75.09 16.40
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31 2 -12 47.50 17.20
31 -2 -12 39.80 15.70
31 -2 -12 28.20 9.30
31 2 -11 339.57 28.00
31 -2 -11 270.07 25.10
31 -2 -11 240.18 19.70
31 2 -10 17.20 16.50
31 -2 -10 11.20 15.20
31 -2 -10 11.70 9.20
31 2 -9 108.19 19.80
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31 2 -8 10.10 16.10
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31 2 -7 17.90 15.80
31 -2 -7 17.00 16.10
31 2 -6 -0.90 15.50
31 -2 -6 -3.90 15.80
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31 2 -4 -8.20 16.10
31 -2 -4 22.30 16.70
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31 2 -2 -8.20 14.60
31 -2 -2 -14.30 15.90
31 2 -1 286.37 28.80
31 -2 -1 320.37 30.40
31 2 0 66.79 18.40
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31 2 1 89.49 20.40
31 -2 1 64.19 19.80
31 2 2 24.90 16.50
31 -2 2 22.70 18.20
31 2 3 42.80 17.40
31 -2 3 35.10 18.30
31 2 4 8.30 16.70
31 -2 4 7.80 18.00
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31 2 12 22.30 18.90
31 -2 12 14.20 19.80
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31 -2 13 32.20 20.70
31 2 14 15.00 20.30
31 -2 14 67.79 21.80
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45 -1 -9 -15.70 23.60
45 1 -8 58.39 26.70
45 -1 -8 160.48 31.00
45 1 -7 38.90 27.20
45 -1 -7 33.60 28.00
45 1 -6 188.08 33.10
45 -1 -6 149.39 32.80
45 1 -5 77.49 28.30
45 1 -4 25.60 27.00
45 -1 -4 23.60 27.20
45 1 -3 12.30 27.30
45 -1 -3 -35.50 26.30
45 2 -18 -19.00 20.40
45 2 -17 13.40 24.00
45 -2 -17 16.20 23.20
45 2 -16 11.10 23.00
45 -2 -16 72.99 25.30
45 2 -15 137.49 29.40
45 -2 -15 93.49 26.70
45 2 -14 -13.20 24.40
45 -2 -14 7.80 24.20
45 2 -13 9.80 24.10
45 -2 -13 -50.99 20.90
45 2 -12 30.70 23.60
45 -2 -12 -18.80 22.80
45 2 -11 -25.90 20.90
45 -2 -11 2.10 23.50
45 2 -10 31.30 23.50
45 -2 -10 -33.40 24.40
45 2 -9 3.80 24.10
45 -2 -9 92.49 28.50
45 2 -8 -27.60 24.10
45 -2 -8 -18.20 25.70
45 2 -6 -2.10 24.10
45 -2 -6 -42.90 24.60
45 2 -5 -16.70 24.00
45 -2 -5 -20.10 27.70
45 2 -4 -24.30 24.50
45 -2 -4 -3.90 29.70
45 2 -3 4.40 25.90
45 3 -17 -20.80 21.40
45 -3 -17 -34.10 22.70
45 3 -16 -13.10 23.30
45 -3 -16 21.20 23.80
45 3 -15 -11.70 23.90
45 -3 -15 72.19 26.00
45 3 -14 3.00 23.90
45 -3 -14 9.90 23.90
45 3 -13 3.70 24.50
45 -3 -13 -18.40 23.70
45 3 -12 9.40 21.90
45 -3 -12 -26.20 24.60
45 -3 -11 7.10 25.30
45 3 -10 -13.30 23.70
45 -3 -10 -9.10 26.00
45 3 -9 -6.80 21.90
45 -3 -9 -12.60 24.90
45 3 -8 52.99 22.70
45 -3 -8 8.50 27.80
45 3 -7 175.68 31.50
45 3 -6 20.40 25.40
45 -3 -6 38.30 30.00
45 3 -5 61.09 27.40
45 3 -4 -8.80 25.90
45 -3 -4 -29.70 29.60
45 4 -16 26.30 29.20
45 -4 -16 -0.20 27.00
45 4 -15 48.50 27.50
45 -4 -15 78.99 29.00
45 4 -14 -13.10 26.50
45 -4 -14 12.60 29.10
45 4 -13 -20.00 24.00
45 -4 -13 -18.00 26.50
45 4 -12 31.10 23.90
45 -4 -12 -37.40 25.80
45 4 -11 2.60 24.20
45 -4 -11 -23.80 27.40
45 4 -10 22.30 25.80
45 -4 -10 1.30 28.00
45 -4 -9 82.89 30.60
45 4 -8 14.50 27.20
45 -4 -8 24.00 30.10
45 4 -7 3.70 25.40
45 -4 -7 44.70 31.10
45 4 -6 -16.20 22.10
45 -4 -6 32.10 26.90
45 4 -5 -4.50 26.70
45 -4 -5 -29.90 30.10
45 5 -15 27.10 29.20
45 -5 -15 63.69 25.60
45 5 -14 10.30 27.50
45 -5 -14 40.50 23.90
45 5 -13 -16.30 26.30
45 -5 -13 -7.10 24.00
45 5 -12 32.20 28.20
45 -5 -12 -9.50 23.60
45 -5 -11 -6.40 24.90
45 5 -10 -24.90 26.00
45 -5 -10 -25.90 24.30
45 5 -9 3.50 24.80
45 -5 -9 -11.20 23.20
45 5 -8 55.69 25.20
45 -5 -8 70.79 27.10
45 5 -7 -9.90 23.20
45 -5 -7 -18.50 25.50
45 5 -6 151.08 30.80
45 -5 -6 197.08 37.20
45 6 -13 -26.40 28.00
45 -6 -13 37.80 25.10
45 6 -12 -0.20 26.70
45 -6 -12 -15.90 23.90
45 6 -11 -6.90 26.80
45 -6 -11 -25.30 22.80
45 6 -10 4.80 27.80
45 -6 -10 -2.20 23.30
45 6 -9 32.60 29.80
45 -6 -9 -26.40 24.30
45 6 -8 -23.20 23.10
45 -6 -8 69.29 26.70
46 0 -15 -11.90 23.70
46 0 -14 27.00 23.20
46 0 -13 -29.50 25.60
46 0 -12 30.00 24.90
46 0 -11 -8.90 26.00
46 0 -10 48.00 27.20
46 0 -9 -31.40 24.10
46 0 -8 -0.10 26.10
46 1 -15 -18.70 21.40
46 -1 -15 42.30 25.10
46 1 -14 6.00 26.10
46 -1 -14 17.20 25.10
46 1 -13 5.60 23.30
46 -1 -13 10.00 23.90
46 1 -12 5.70 24.80
46 -1 -12 -18.70 24.80
46 1 -11 -27.40 22.50
46 -1 -11 15.50 25.20
46 1 -10 -25.00 22.40
46 -1 -10 -46.50 25.30
46 1 -9 -18.10 24.60
46 -1 -9 3.00 26.40
46 -1 -8 83.19 29.40
46 1 -7 6.10 25.80
46 -1 -7 -18.90 24.80
46 2 -14 -22.80 26.20
46 -2 -14 -37.30 23.70
46 2 -13 45.40 23.20
46 -2 -13 58.69 25.30
46 2 -12 -18.50 22.50
46 -2 -12 -7.30 25.60
46 2 -11 -47.10 23.40
46 -2 -11 -33.00 23.00
46 2 -10 -0.50 24.30
46 -2 -10 -18.40 23.90
46 2 -9 6.80 24.80
46 -2 -9 -4.80 26.10
46 2 -8 -33.20 23.70
46 -2 -8 -12.50 26.50
46 2 -7 -18.80 25.10
46 -2 -7 12.10 27.20
46 3 -13 15.10 26.60
46 -3 -13 -23.80 24.10
46 3 -12 -45.50 23.60
46 -3 -12 11.30 25.40
46 3 -11 -43.70 23.50
46 -3 -11 -6.80 25.90
46 3 -10 9.30 25.20
46 -3 -10 2.80 28.00
46 -3 -9 7.50 29.30
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 49227
_shelx_res_file
;
TITL 07srv542_a.res in P2(1)/c
07srv542.res
created by SHELXL-2018/3 at 19:16:46 on 03-Jan-2020
REM Old TITL 07srv542 in P2(1)/c
REM SHELXT solution in P2(1)/c: R1 0.247, Rweak 0.025, Alpha 0.074
REM 0.330 for 1178 systematic absences, Orientation as input
REM Formula found by SHELXT: C212 N44 O10 Ir4
CELL 0.71073 38.9762 21.6155 28.7586 90 108.92 90
ZERR 8 0.0057 0.0034 0.0043 0 0.003 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H Ir N O
UNIT 1048 1312 16 48 48
RIGU 0.005 0.005
RIGU 0.001 0.001 N4' C60' > C65'
DFIX 1.53 C217 C216 C217 C218 C219 C218
ISOR 0.01 0.1 N4'
RIGU 0.001 0.001 Ir1 C1
DFIX 1.53 C204 C203 C20B C203 C20B C20C C204 C205 C206 C20C C205 C206
DFIX 1.53 C217 C216 C217 C218
SADI C97 C54 C98 C97 C99 C98 C99 C100 C126 C100 C102 C126 C54 C103 C104 =
C103 C105 C104 C106 C105 C10C C106 C10D C10C C85 C36 C86 C85 C87 C86 C88 =
C87 C89 C88 C90 C89 C72 C115 C116 C115 C117 C116 C118 C117 C119 C118 C120 =
C119 C72 C109 C110 C109 C111 C110 C112 C111 C113 C112 C114 C113
DFIX 1.53 C112 C111 C113 C112 C114 C113
SIMU Ir2 N02
RIGU 0.001 0.001 Ir2 N02
SADI C18 C73 C74 C73 C75 C74 C76 C75 C77 C76 C78 C77
SADI C78' C77' C77' C76'
SADI C206 C20C C204 C20C C205 C204 C205 C206 C204 C203 C54' C203 C207 C206 =
C207 C208
DFIX 1.5 C125 C126
DFIX 1.53 C105 C104 C10A C104 C10A C10B C106 C105 C107 C106 C10B C10C C10D =
C10C C108 C107
EADP C10D C108
EADP C101 C126
DFIX 1.5 C101 C100 C126 C100 C101 C102 C125 C126
RIGU 0.001 0.001 O2 N02 C02
RIGU 0.001 0.001 C112 C113 C114
DFIX 1.53 C214 C213 C21C C21D C212 C213 C21C C21B C212 C211 C21B C211
EADP C212 C21B
EADP N02 Ir1
EADP Ir1 N01
DFIX 1.53 C80' C79' C80B C79' C80B C81' C80' C81'
DFIX 1.53 C81' C82' C83' C82' C84' C83' C220 C219
EADP C21E C217
DFIX 1.53 C21E C216
DFIX 1.53 C21E C216 C21E C21F C21F C21G C21H C21G
EADP C219 C21G
EADP C220 C21H
EADP C21F C218
DFIX 1.53 C21H C21G C21G C21F
DANG 2.507 C21H C21F
L.S. 7
PLAN 20
SIZE 0.01 0.1 0.2
TEMP -153.15
CONF
CONN 4 C21E
BOND
list 4
MORE -1
BOND $H
ABIN
fmap 2
acta
OMIT 1 1 0
OMIT 1 1 1
OMIT 0 1 1
OMIT 28 17 6
OMIT 31 12 10
OMIT 30 3 16
OMIT 28 0 18
OMIT -26 3 30
OMIT -34 15 18
OMIT -43 7 3
OMIT -12 24 7
OMIT -3 23 9
REM
REM
REM
WGHT 0.064000
FVAR 0.05127
IR1 3 0.385157 0.336007 0.613546 11.00000 0.02297 0.02373 =
0.01549 0.00220 0.00689 -0.00032
IR2 3 0.427015 0.339485 0.737646 11.00000 0.02662 0.02615 =
0.01611 0.00272 0.00675 -0.00336
O1 5 0.495886 0.301781 0.659200 11.00000 0.03634 0.09186 =
0.08796 -0.00391 0.02796 -0.00027
O2 5 0.315132 0.337175 0.693878 11.00000 0.03941 0.31348 =
0.08556 0.02837 0.04053 0.00140
O3 5 0.425230 0.093461 0.631329 11.00000 0.04439 0.02918 =
0.04902 0.01571 0.02076 0.01681
O4 5 0.355513 0.573139 0.648174 11.00000 0.04930 0.03187 =
0.05146 -0.00894 0.02529 -0.00034
O5 5 0.365126 0.111302 0.719712 11.00000 0.04862 0.03543 =
0.04088 -0.00548 0.02180 -0.02060
O6 5 0.476850 0.551053 0.682417 11.00000 0.05420 0.04820 =
0.03393 0.00095 0.01926 -0.01402
N1 4 0.378189 0.242469 0.606586 11.00000 0.03448 0.01233 =
0.01792 0.00362 0.01199 -0.00022
N01 4 0.440927 0.327355 0.667943 11.00000 0.02297 0.02373 =
0.01549 0.00220 0.00689 -0.00032
N02 4 0.372038 0.343782 0.682963 11.00000 0.02297 0.02373 =
0.01549 0.00220 0.00689 -0.00032
N2 4 0.387633 0.430199 0.608931 11.00000 0.02583 0.01780 =
0.01796 -0.00358 0.00311 -0.00397
N3 4 0.424596 0.245502 0.748184 11.00000 0.01954
N4 4 0.434377 0.431490 0.734789 11.00000 0.01863 0.03729 =
0.02407 0.00118 0.00691 -0.00515
C01 1 0.466731 0.315199 0.663897 11.00000 0.02814 0.07055 =
0.00591 -0.00107 0.00324 -0.01967
C1 1 0.333878 0.334228 0.570452 11.00000 0.01225
C02 1 0.344191 0.338344 0.688668 11.00000 0.02810 0.09644 =
0.03022 -0.00503 0.01475 -0.01000
C2 1 0.310277 0.384589 0.550923 11.00000 0.02044 0.03880 =
0.02057 0.00745 0.00715 0.00032
AFIX 43
H2A 2 0.319531 0.425605 0.555252 11.00000 -1.20000
AFIX 0
C3 1 0.274292 0.374749 0.525893 11.00000 0.01777 0.03289 =
0.01764 0.00219 0.00340 -0.00067
C4 1 0.259985 0.315538 0.517094 11.00000 0.02506 0.03134 =
0.02070 0.00237 0.00874 -0.00158
C5 1 0.281718 0.264291 0.534673 11.00000 0.02785 0.02767 =
0.03067 0.00037 0.00350 -0.00838
AFIX 43
H5A 2 0.272013 0.223609 0.529200 11.00000 -1.20000
AFIX 0
C6 1 0.318684 0.274458 0.560936 11.00000 0.02930 0.02108 =
0.01938 -0.00383 0.00931 -0.00274
C7 1 0.344234 0.223354 0.578377 11.00000 0.03100 0.02263 =
0.03232 0.00592 0.01892 0.00533
C8 1 0.338080 0.160751 0.568761 11.00000 0.03624 0.03030 =
0.01860 -0.00668 0.00431 -0.00603
AFIX 43
H8 2 0.314557 0.147633 0.549232 11.00000 -1.20000
AFIX 0
C9 1 0.363982 0.118106 0.585915 11.00000 0.05321 0.02907 =
0.02075 0.00536 0.01270 0.00237
AFIX 43
H9 2 0.358851 0.075481 0.579018 11.00000 -1.20000
AFIX 0
C10 1 0.398772 0.137375 0.614199 11.00000 0.05207 0.01449 =
0.02515 0.00626 0.01491 0.01036
C11 1 0.404823 0.199490 0.623868 11.00000 0.03043 0.02115 =
0.02781 0.00786 0.01688 0.00078
AFIX 43
H11 2 0.428345 0.212814 0.643230 11.00000 -1.20000
AFIX 0
C12 1 0.245036 0.419906 0.503190 11.00000 0.02139 0.03450 =
0.02823 0.00334 0.00695 0.00271
C13 1 0.245831 0.482467 0.501752 11.00000 0.02506 0.03700 =
0.02976 -0.00119 0.00582 0.00588
AFIX 43
H13 2 0.267775 0.503955 0.517626 11.00000 -1.20000
AFIX 0
C14 1 0.214847 0.514981 0.477293 11.00000 0.02637 0.04627 =
0.04340 0.01487 0.01284 0.01201
AFIX 43
H14 2 0.215184 0.558913 0.476601 11.00000 -1.20000
AFIX 0
C15 1 0.182700 0.482490 0.453348 11.00000 0.03201 0.06062 =
0.03080 0.00238 0.00245 0.00949
AFIX 43
H15 2 0.161443 0.504231 0.434982 11.00000 -1.20000
AFIX 0
C16 1 0.182236 0.419715 0.456654 11.00000 0.01719 0.05788 =
0.03372 -0.01005 0.00724 0.00350
AFIX 43
H16 2 0.160202 0.398011 0.441766 11.00000 -1.20000
AFIX 0
C17 1 0.213195 0.387078 0.481238 11.00000 0.02054 0.04137 =
0.02480 -0.00206 0.00681 0.00170
C18 1 0.219255 0.316968 0.487885 11.00000 0.01960 0.04171 =
0.03712 0.00035 0.01006 -0.00192
C19 1 0.406238 0.342259 0.559448 11.00000 0.01799 0.02347 =
0.02650 0.00454 0.00909 0.00342
C20 1 0.416010 0.295983 0.532605 11.00000 0.02818 0.02350 =
0.01636 0.00364 0.00792 0.00236
AFIX 43
H6 2 0.409484 0.254396 0.536381 11.00000 -1.20000
AFIX 0
C21 1 0.434908 0.308715 0.500652 11.00000 0.03026 0.02584 =
0.01628 -0.00161 0.00749 0.00280
C22 1 0.443618 0.368775 0.492162 11.00000 0.03589 0.02557 =
0.01480 0.00040 0.01121 -0.00775
C23 1 0.434114 0.417280 0.516678 11.00000 0.02325 0.01202 =
0.02785 -0.00052 0.00753 -0.00729
AFIX 43
H23 2 0.439600 0.458763 0.510747 11.00000 -1.20000
AFIX 0
C24 1 0.416092 0.403802 0.550693 11.00000 0.02519 0.02366 =
0.01568 0.00032 0.00422 0.00240
C25 1 0.403261 0.452822 0.576375 11.00000 0.04064 0.02663 =
0.02334 -0.00677 0.01506 -0.00686
C26 1 0.403972 0.516082 0.569891 11.00000 0.04399 0.02337 =
0.02520 -0.00416 0.01388 -0.00423
AFIX 43
H26 2 0.415868 0.532235 0.548451 11.00000 -1.20000
AFIX 0
C27 1 0.387904 0.556318 0.593668 11.00000 0.04180 0.01533 =
0.03750 -0.00874 0.01274 -0.00433
AFIX 43
H27 2 0.388224 0.599631 0.588221 11.00000 -1.20000
AFIX 0
C28 1 0.371170 0.532475 0.625839 11.00000 0.03639 0.02955 =
0.03110 -0.01195 0.01232 -0.00893
C29 1 0.372367 0.470056 0.633834 11.00000 0.02406 0.02933 =
0.02408 -0.00811 0.00736 -0.00876
AFIX 43
H29 2 0.362348 0.453780 0.657298 11.00000 -1.20000
AFIX 0
C30 1 0.448668 0.265045 0.470089 11.00000 0.02858 0.03078 =
0.02617 -0.00077 0.01504 -0.00112
C31 1 0.446130 0.201907 0.465030 11.00000 0.04420 0.02987 =
0.01872 0.00441 0.01270 -0.00292
AFIX 43
H31 2 0.434090 0.177821 0.482657 11.00000 -1.20000
AFIX 0
C32 1 0.461830 0.174627 0.433171 11.00000 0.04907 0.03120 =
0.02103 -0.00666 0.01659 -0.00586
AFIX 43
H32 2 0.460880 0.130949 0.429288 11.00000 -1.20000
AFIX 0
C33 1 0.478617 0.209446 0.407311 11.00000 0.03717 0.04176 =
0.01843 0.00066 0.01452 0.00214
AFIX 43
H33 2 0.488986 0.189617 0.385555 11.00000 -1.20000
AFIX 0
C34 1 0.480772 0.272688 0.412211 11.00000 0.02796 0.04039 =
0.02350 -0.00916 0.01140 -0.00910
AFIX 43
H34 2 0.492352 0.296213 0.393675 11.00000 -1.20000
AFIX 0
C35 1 0.465950 0.302449 0.444428 11.00000 0.02570 0.03177 =
0.00848 0.00188 -0.00122 0.00084
C36 1 0.464519 0.370152 0.454756 11.00000 0.03027 0.03203 =
0.02194 -0.00575 0.01052 -0.00398
C37 1 0.477495 0.325820 0.779637 11.00000 0.02782 0.02899 =
0.01390 -0.00272 0.00838 0.00175
C38 1 0.506249 0.367525 0.795145 11.00000 0.03086 0.01910 =
0.01886 -0.00462 0.00267 0.00305
AFIX 43
H38 2 0.501422 0.410380 0.789104 11.00000 -1.20000
AFIX 0
C39 1 0.542249 0.348497 0.819474 11.00000 0.02666 0.02498 =
0.02519 -0.00254 0.00373 -0.00006
C40 1 0.549560 0.285808 0.832376 11.00000 0.03227 0.03120 =
0.03076 0.00352 0.00608 -0.00208
C41 1 0.522320 0.241725 0.818210 11.00000 0.03221 0.01782 =
0.03022 0.00375 0.01417 0.00061
AFIX 43
H41 2 0.527385 0.199251 0.825901 11.00000 -1.20000
AFIX 0
C42 1 0.486658 0.261862 0.791893 11.00000 0.02830 0.02971 =
0.02110 0.00154 0.01740 0.00043
C43 1 0.456467 0.219056 0.774113 11.00000 0.03290 0.02628 =
0.02058 -0.01067 0.01433 -0.00133
C44 1 0.457611 0.155723 0.781605 11.00000 0.03884 0.03007 =
0.03197 -0.00356 0.01740 0.00224
AFIX 43
H44 2 0.479939 0.136736 0.799669 11.00000 -1.20000
AFIX 0
C45 1 0.427267 0.119959 0.763542 11.00000 0.05158 0.02058 =
0.04425 0.00277 0.03126 -0.00684
AFIX 43
H45 2 0.428322 0.076415 0.768276 11.00000 -1.20000
AFIX 0
C46 1 0.394712 0.149182 0.737966 11.00000 0.04503 0.03556 =
0.03251 -0.00637 0.02535 -0.01601
C47 1 0.393580 0.212523 0.730212 11.00000 0.03004 0.03686 =
0.01872 -0.00128 0.01184 -0.00739
AFIX 43
H47 2 0.371445 0.232429 0.712609 11.00000 -1.20000
AFIX 0
C48 1 0.575870 0.382246 0.835286 11.00000 0.02657 0.02980 =
0.03934 -0.00247 0.01523 -0.00176
C49 1 0.582718 0.443791 0.829348 11.00000 0.03734 0.03080 =
0.02962 0.00044 0.00294 -0.00461
AFIX 43
H49 2 0.563422 0.471465 0.814045 11.00000 -1.20000
AFIX 0
C50 1 0.619067 0.465031 0.846487 11.00000 0.03270 0.02246 =
0.09273 -0.01245 -0.00160 -0.00928
AFIX 43
H50 2 0.624485 0.507184 0.842608 11.00000 -1.20000
AFIX 0
C51 1 0.646508 0.423863 0.868864 11.00000 0.02961 0.03913 =
0.10092 -0.00426 0.00721 -0.00640
AFIX 43
H51 2 0.670914 0.437927 0.880239 11.00000 -1.20000
AFIX 0
C52 1 0.639083 0.362947 0.874933 11.00000 0.02249 0.04004 =
0.12032 0.00133 0.01450 0.00527
AFIX 43
H52 2 0.658272 0.335363 0.890861 11.00000 -1.20000
AFIX 0
C53 1 0.604177 0.341795 0.858144 11.00000 0.02305 0.03963 =
0.04142 -0.00644 0.00526 -0.00162
C54 1 0.589725 0.277058 0.860883 11.00000 0.02739 0.03825 =
0.04989 0.00475 0.00547 0.00851
C55 1 0.407483 0.366553 0.790293 11.00000 0.02288 0.01886 =
0.02181 0.00154 0.00395 -0.00444
C56 1 0.392853 0.327959 0.820078 11.00000 0.02941 0.02542 =
0.02086 0.00412 0.00303 -0.00288
AFIX 43
H56 2 0.395740 0.284313 0.820199 11.00000 -1.20000
AFIX 0
C57 1 0.374335 0.355768 0.848806 11.00000 0.02335 0.02896 =
0.02384 -0.00037 0.00588 -0.00326
C58 1 0.370617 0.419843 0.851106 11.00000 0.03499 0.02643 =
0.01998 -0.00454 0.00651 -0.00978
C59 1 0.386566 0.458250 0.825252 11.00000 0.03802 0.01946 =
0.02834 -0.00268 0.01186 -0.00725
AFIX 43
H59 2 0.385557 0.501956 0.828033 11.00000 -1.20000
AFIX 0
C60 1 0.404276 0.430911 0.794809 11.00000 0.02796 0.02241 =
0.01232 0.00587 0.00450 -0.00198
C61 1 0.421471 0.466639 0.764817 11.00000 0.02070
C62 1 0.426410 0.530403 0.766785 11.00000 0.03236 0.03372 =
0.02729 -0.01079 0.00775 0.00091
AFIX 43
H62 2 0.416723 0.554598 0.787151 11.00000 -1.20000
AFIX 0
C63 1 0.445225 0.559058 0.739504 11.00000 0.04570 0.04208 =
0.04107 -0.00337 0.01503 -0.00366
AFIX 43
H63 2 0.449153 0.602494 0.741357 11.00000 -1.20000
AFIX 0
C64 1 0.458198 0.522251 0.709295 11.00000 0.03625 0.03572 =
0.02237 0.00717 0.01011 -0.00822
C65 1 0.452771 0.459561 0.708709 11.00000 0.02272 0.03904 =
0.02754 0.00120 0.00953 -0.00202
AFIX 43
H65 2 0.462556 0.434767 0.688790 11.00000 -1.20000
AFIX 0
C66 1 0.355976 0.326698 0.880497 11.00000 0.02725 0.03152 =
0.01096 -0.00149 0.00055 -0.00120
C67 1 0.353083 0.265448 0.892679 11.00000 0.03942 0.03474 =
0.03333 0.00826 0.01558 0.00991
AFIX 43
H67 2 0.364012 0.233725 0.879416 11.00000 -1.20000
AFIX 0
C68 1 0.334210 0.250941 0.924205 11.00000 0.03681 0.04289 =
0.04016 0.01119 0.01472 -0.00127
AFIX 43
H68 2 0.332529 0.209112 0.933372 11.00000 -1.20000
AFIX 0
C69 1 0.317536 0.297617 0.942729 11.00000 0.03842 0.06187 =
0.05209 0.00114 0.02656 -0.00949
AFIX 43
H69 2 0.303643 0.287515 0.963388 11.00000 -1.20000
AFIX 0
C70 1 0.321309 0.357883 0.930986 11.00000 0.04511 0.03851 =
0.02626 -0.01695 0.01478 -0.01116
AFIX 43
H70 2 0.310604 0.389505 0.944664 11.00000 -1.20000
AFIX 0
C71 1 0.340180 0.373970 0.899910 11.00000 0.04480 0.03794 =
0.01289 -0.00980 0.01068 -0.01328
C72 1 0.347904 0.437437 0.883231 11.00000 0.04901 0.03340 =
0.02396 -0.00657 0.01503 -0.00282
C73 1 0.195954 0.289554 0.516700 11.00000 0.01550 0.04115 =
0.04191 0.00849 0.00697 -0.00823
AFIX 23
H73C 2 0.170150 0.297601 0.498015 11.00000 -1.20000
H73D 2 0.199420 0.244137 0.518381 11.00000 -1.20000
AFIX 0
C74 1 0.203634 0.313887 0.568786 11.00000 0.03525 0.07292 =
0.03462 0.00934 0.01075 0.00825
AFIX 23
H74C 2 0.201648 0.359560 0.567557 11.00000 -1.20000
H74D 2 0.228908 0.303286 0.588354 11.00000 -1.20000
AFIX 0
C75 1 0.178169 0.288375 0.595016 11.00000 0.06875 0.10038 =
0.05461 -0.00352 0.03194 -0.01727
AFIX 23
H75C 2 0.181587 0.313572 0.624928 11.00000 -1.20000
H75D 2 0.152960 0.295194 0.573250 11.00000 -1.20000
AFIX 0
C76 1 0.181678 0.220830 0.610270 11.00000 0.19140 0.08885 =
0.23911 -0.00557 0.13611 -0.04601
AFIX 23
H76C 2 0.204210 0.214748 0.638329 11.00000 -1.20000
H76D 2 0.183170 0.194874 0.582628 11.00000 -1.20000
AFIX 0
C77 1 0.147946 0.200531 0.625463 11.00000 0.08922 0.15708 =
0.10554 0.03790 0.01058 -0.03754
AFIX 23
H77C 2 0.125591 0.206671 0.597138 11.00000 -1.20000
H77D 2 0.149981 0.155861 0.633496 11.00000 -1.20000
AFIX 0
C78 1 0.144603 0.236689 0.669701 11.00000 0.26955 0.24652 =
0.11760 0.07237 0.11616 0.07163
AFIX 33
H78D 2 0.123265 0.222216 0.677484 11.00000 -1.50000
H78E 2 0.166406 0.230056 0.698125 11.00000 -1.50000
H78F 2 0.142004 0.280890 0.661750 11.00000 -1.50000
AFIX 0
C79 1 0.210878 0.283453 0.438877 11.00000 0.04348 0.04568 =
0.03245 -0.00041 0.00728 0.00083
AFIX 23
H79E 2 0.184288 0.283915 0.422418 11.00000 -1.20000
H79F 2 0.218372 0.239698 0.445514 11.00000 -1.20000
AFIX 0
C80 1 0.228897 0.309777 0.403444 11.00000 0.02927 0.06132 =
0.02081 -0.00412 -0.00244 0.00519
AFIX 23
H80E 2 0.216566 0.348830 0.389450 11.00000 -1.20000
H80F 2 0.254458 0.319814 0.422036 11.00000 -1.20000
AFIX 0
C81 1 0.228087 0.266346 0.361574 11.00000 0.04969 0.06819 =
0.03348 -0.00768 0.00547 0.00177
AFIX 23
H81E 2 0.240266 0.227244 0.375729 11.00000 -1.20000
H81F 2 0.202488 0.256419 0.343096 11.00000 -1.20000
AFIX 0
C82 1 0.245958 0.291258 0.325814 11.00000 0.05763 0.07318 =
0.02947 -0.00465 0.01135 0.00521
AFIX 23
H82C 2 0.231280 0.326169 0.307432 11.00000 -1.20000
H82D 2 0.270162 0.307724 0.344755 11.00000 -1.20000
AFIX 0
C83 1 0.250444 0.244133 0.289354 11.00000 0.10719 0.12081 =
0.09240 -0.06179 0.06138 -0.05316
AFIX 23
H83C 2 0.226178 0.228285 0.270012 11.00000 -1.20000
H83D 2 0.264676 0.208837 0.307788 11.00000 -1.20000
AFIX 0
C84 1 0.269103 0.268514 0.253788 11.00000 0.17024 0.16113 =
0.15253 -0.07008 0.12383 -0.07267
AFIX 33
H84D 2 0.270905 0.235213 0.231572 11.00000 -1.50000
H84E 2 0.254900 0.302725 0.234568 11.00000 -1.50000
H84F 2 0.293471 0.283240 0.272416 11.00000 -1.50000
AFIX 0
C85 1 0.502694 0.398005 0.477636 11.00000 0.03792 0.02647 =
0.02513 0.00039 0.01761 -0.00898
AFIX 23
H85C 2 0.516771 0.389722 0.455177 11.00000 -1.20000
H85D 2 0.500227 0.443443 0.479497 11.00000 -1.20000
AFIX 0
C86 1 0.524211 0.374710 0.527994 11.00000 0.04741 0.02030 =
0.03176 -0.00020 0.00942 -0.00473
AFIX 23
H86C 2 0.526489 0.329201 0.526450 11.00000 -1.20000
H86D 2 0.510524 0.383782 0.550800 11.00000 -1.20000
AFIX 0
C87 1 0.561823 0.402267 0.548899 11.00000 0.04237 0.04283 =
0.02949 -0.00977 0.01092 -0.00452
AFIX 23
H87C 2 0.559815 0.447867 0.546091 11.00000 -1.20000
H87D 2 0.576577 0.388285 0.528610 11.00000 -1.20000
AFIX 0
C88 1 0.581845 0.385560 0.602531 11.00000 0.05523 0.04567 =
0.04410 -0.00151 0.01097 -0.01029
AFIX 23
H88C 2 0.584510 0.340033 0.605265 11.00000 -1.20000
H88D 2 0.606497 0.403643 0.612178 11.00000 -1.20000
AFIX 0
C89 1 0.563123 0.407759 0.638353 11.00000 0.06351 0.05953 =
0.04556 0.01261 0.02511 0.00181
AFIX 23
H89C 2 0.539562 0.386184 0.631107 11.00000 -1.20000
H89D 2 0.558119 0.452599 0.633319 11.00000 -1.20000
AFIX 0
C90 1 0.585523 0.396493 0.692044 11.00000 0.12458 0.10873 =
0.04257 0.02257 0.01692 -0.00204
AFIX 33
H90D 2 0.572168 0.411654 0.713345 11.00000 -1.50000
H90E 2 0.590105 0.352071 0.697517 11.00000 -1.50000
H90F 2 0.608673 0.418522 0.699730 11.00000 -1.50000
AFIX 0
C91 1 0.442814 0.406476 0.408594 11.00000 0.04155 0.02156 =
0.02554 -0.00342 0.01375 -0.00713
AFIX 23
H91C 2 0.442119 0.450476 0.417804 11.00000 -1.20000
H91D 2 0.456025 0.404264 0.384476 11.00000 -1.20000
AFIX 0
C92 1 0.404214 0.384813 0.383600 11.00000 0.03523 0.02574 =
0.02991 0.00323 0.01906 0.00452
AFIX 23
H92C 2 0.393735 0.371239 0.409003 11.00000 -1.20000
H92D 2 0.404566 0.348629 0.362656 11.00000 -1.20000
AFIX 0
C93 1 0.379737 0.435264 0.351708 11.00000 0.04525 0.03939 =
0.02824 0.00610 0.02059 0.01106
AFIX 23
H93C 2 0.379264 0.471119 0.372911 11.00000 -1.20000
H93D 2 0.390644 0.449337 0.326877 11.00000 -1.20000
AFIX 0
C94 1 0.342014 0.415533 0.326063 11.00000 0.05391 0.05966 =
0.01593 -0.00707 0.00644 -0.00049
AFIX 23
H94C 2 0.331507 0.397733 0.350161 11.00000 -1.20000
H94D 2 0.341898 0.383016 0.301769 11.00000 -1.20000
AFIX 0
C95 1 0.318885 0.470031 0.299884 11.00000 0.06898 0.11646 =
0.06353 0.03439 0.01582 0.03191
AFIX 23
H95C 2 0.328718 0.485478 0.274350 11.00000 -1.20000
H95D 2 0.321233 0.503772 0.323999 11.00000 -1.20000
AFIX 0
C96 1 0.278590 0.455617 0.275626 11.00000 0.07244 0.12380 =
0.11364 0.00006 0.00767 0.03985
AFIX 33
H96D 2 0.265883 0.493027 0.259785 11.00000 -1.50000
H96E 2 0.275786 0.423128 0.250898 11.00000 -1.50000
H96F 2 0.268285 0.441462 0.300652 11.00000 -1.50000
AFIX 0
C97 1 0.606641 0.228904 0.835843 11.00000 0.04401 0.04388 =
0.07433 -0.01408 0.01337 0.00081
AFIX 23
H97C 2 0.632833 0.226021 0.854616 11.00000 -1.20000
H97D 2 0.595695 0.188182 0.838195 11.00000 -1.20000
AFIX 0
C98 1 0.602653 0.240538 0.781994 11.00000 0.03883 0.05412 =
0.07888 -0.01626 0.02503 -0.00707
AFIX 23
H98C 2 0.610266 0.283276 0.777728 11.00000 -1.20000
H98D 2 0.577021 0.235324 0.761252 11.00000 -1.20000
AFIX 0
C99 1 0.626681 0.193845 0.766792 11.00000 0.11537 0.05099 =
0.09773 -0.03156 0.05841 -0.00208
AFIX 23
H99C 2 0.652385 0.202749 0.785456 11.00000 -1.20000
H99D 2 0.621149 0.151795 0.776016 11.00000 -1.20000
AFIX 0
C100 1 0.622032 0.194537 0.713707 11.00000 0.13312 0.08535 =
0.08781 -0.02140 0.05757 -0.01608
PART 2
AFIX 23
H10C 2 0.627966 0.236303 0.704412 10.33000 -1.20000
H10D 2 0.596320 0.185974 0.694858 10.33000 -1.20000
AFIX 23
PART 0
PART 1
H10A 2 0.622913 0.237833 0.702924 10.67000 -1.20000
H10B 2 0.597879 0.177499 0.695209 10.67000 -1.20000
AFIX 0
PART 0
C103 1 0.595562 0.255497 0.914053 11.00000 0.04939 0.05054 =
0.04696 0.00949 0.00229 0.00540
AFIX 23
H10E 2 0.583165 0.215212 0.912559 11.00000 -1.20000
H10F 2 0.621831 0.248223 0.930167 11.00000 -1.20000
AFIX 0
C104 1 0.582599 0.298413 0.946555 11.00000 0.04253 0.05451 =
0.03465 0.01038 0.00193 0.00257
PART 1
AFIX 23
H10G 2 0.558503 0.314314 0.926592 10.67000 -1.20000
H10H 2 0.599279 0.334293 0.954575 10.67000 -1.20000
AFIX 23
PART 0
PART 2
H10I 2 0.555942 0.303870 0.934343 10.33000 -1.20000
H10J 2 0.594617 0.339326 0.950407 10.33000 -1.20000
AFIX 0
PART 0
C109 1 0.313340 0.470824 0.852396 11.00000 0.03907 0.04525 =
0.04529 -0.00164 0.01936 -0.00213
AFIX 23
H10K 2 0.298911 0.481493 0.873958 11.00000 -1.20000
H10L 2 0.320306 0.510050 0.840095 11.00000 -1.20000
AFIX 0
C110 1 0.289553 0.434109 0.808918 11.00000 0.05149 0.06825 =
0.04983 0.00873 -0.00095 0.00062
AFIX 23
H11A 2 0.280861 0.396325 0.821047 11.00000 -1.20000
H11B 2 0.304155 0.421086 0.788155 11.00000 -1.20000
AFIX 0
C111 1 0.256744 0.471763 0.777586 11.00000 0.07930 0.12800 =
0.10625 0.03592 -0.02731 0.00723
AFIX 23
H11C 2 0.245933 0.492981 0.800012 11.00000 -1.20000
H11D 2 0.265614 0.504174 0.759984 11.00000 -1.20000
AFIX 0
C112 1 0.226675 0.435364 0.739661 11.00000 0.10344 0.37830 =
0.10226 0.00431 -0.03080 -0.06343
AFIX 23
H11E 2 0.205597 0.462628 0.724495 11.00000 -1.20000
H11F 2 0.218583 0.400530 0.755902 11.00000 -1.20000
AFIX 0
C113 1 0.241696 0.410580 0.699957 11.00000 0.14581 0.36419 =
0.17804 -0.05225 0.05158 -0.18184
AFIX 23
H11G 2 0.223062 0.383475 0.677653 11.00000 -1.20000
H11H 2 0.263079 0.384456 0.716279 11.00000 -1.20000
AFIX 0
C114 1 0.252979 0.459274 0.668363 11.00000 0.22434 0.36540 =
0.33400 -0.04382 0.15969 -0.20944
AFIX 33
H11I 2 0.262070 0.438292 0.644490 11.00000 -1.50000
H11J 2 0.231935 0.484719 0.650897 11.00000 -1.50000
H11K 2 0.272089 0.485704 0.689657 11.00000 -1.50000
AFIX 0
C115 1 0.367729 0.480121 0.925896 11.00000 0.05382 0.03381 =
0.02721 -0.00069 0.01766 0.00276
AFIX 23
H11L 2 0.373074 0.519351 0.911854 11.00000 -1.20000
H11M 2 0.350874 0.490022 0.944233 11.00000 -1.20000
AFIX 0
C116 1 0.402603 0.456769 0.962241 11.00000 0.04942 0.03411 =
0.02470 -0.00277 0.01325 -0.00582
AFIX 23
H11N 2 0.397506 0.417836 0.976914 11.00000 -1.20000
H11O 2 0.419741 0.446949 0.944320 11.00000 -1.20000
AFIX 0
C117 1 0.420672 0.501423 1.003103 11.00000 0.06114 0.04496 =
0.02884 0.00149 0.00231 -0.00119
AFIX 23
H11P 2 0.404597 0.507529 1.023229 11.00000 -1.20000
H11Q 2 0.423133 0.541867 0.988341 11.00000 -1.20000
AFIX 0
C118 1 0.457677 0.481762 1.036702 11.00000 0.05044 0.03868 =
0.02298 -0.00203 0.00907 -0.01498
AFIX 23
H11R 2 0.473739 0.474366 1.016740 11.00000 -1.20000
H11S 2 0.455283 0.442278 1.052824 11.00000 -1.20000
AFIX 0
C119 1 0.475065 0.529427 1.075829 11.00000 0.05844 0.04879 =
0.05091 -0.00485 0.00038 -0.01562
AFIX 23
H11T 2 0.474975 0.569891 1.059664 11.00000 -1.20000
H11U 2 0.460067 0.533681 1.097612 11.00000 -1.20000
AFIX 0
C120 1 0.513404 0.514511 1.106932 11.00000 0.05285 0.05623 =
0.05010 0.01212 0.00951 -0.02058
AFIX 33
H12A 2 0.522671 0.547401 1.131227 11.00000 -1.50000
H12B 2 0.513773 0.475080 1.123905 11.00000 -1.50000
H12C 2 0.528705 0.511351 1.085893 11.00000 -1.50000
AFIX 0
C121 1 0.460733 0.114931 0.655632 11.00000 0.04952 0.04698 =
0.04929 0.00817 0.02222 0.01430
AFIX 137
H12D 2 0.461178 0.137570 0.685346 11.00000 -1.50000
H12E 2 0.468319 0.142498 0.633721 11.00000 -1.50000
H12F 2 0.477357 0.079633 0.664707 11.00000 -1.50000
AFIX 0
C122 1 0.333357 0.546991 0.674619 11.00000 0.04071 0.04589 =
0.07179 -0.01412 0.03288 -0.00512
AFIX 137
H12G 2 0.348528 0.522124 0.702108 11.00000 -1.50000
H12H 2 0.314619 0.520684 0.652488 11.00000 -1.50000
H12I 2 0.321831 0.580353 0.687276 11.00000 -1.50000
AFIX 0
C123 1 0.330974 0.140844 0.695644 11.00000 0.05040 0.07191 =
0.04152 -0.00052 0.01100 -0.02365
AFIX 137
H12J 2 0.324223 0.166598 0.719353 11.00000 -1.50000
H12K 2 0.312306 0.109282 0.682379 11.00000 -1.50000
H12L 2 0.333081 0.166817 0.668770 11.00000 -1.50000
AFIX 0
C124 1 0.494538 0.512189 0.656543 11.00000 0.07849 0.04453 =
0.03914 0.00373 0.03882 -0.01470
AFIX 137
H12M 2 0.511817 0.484933 0.679973 11.00000 -1.50000
H12N 2 0.507490 0.538027 0.639688 11.00000 -1.50000
H12O 2 0.476363 0.487119 0.632333 11.00000 -1.50000
AFIX 0
PART 1
C101 1 0.651191 0.156933 0.701615 10.67000 0.08278
AFIX 23
H10M 2 0.674900 0.177415 0.716952 10.67000 -1.20000
H10N 2 0.652503 0.115522 0.716800 10.67000 -1.20000
AFIX 0
C102 1 0.645493 0.148674 0.647659 10.67000 0.14244 0.11228 =
0.08519 0.02289 0.06270 0.04568
AFIX 33
H10O 2 0.665416 0.124107 0.643460 10.67000 -1.50000
H10P 2 0.622452 0.127252 0.632116 10.67000 -1.50000
H10Q 2 0.644899 0.189286 0.632269 10.67000 -1.50000
AFIX 0
C105 1 0.579158 0.274504 0.994765 10.67000 0.04263 0.06373 =
0.04836 -0.00363 0.01339 -0.01024
AFIX 23
H10R 2 0.603385 0.260907 1.016175 10.67000 -1.20000
H10S 2 0.563124 0.237767 0.987618 10.67000 -1.20000
AFIX 0
C106 1 0.564193 0.321386 1.022933 10.67000 0.07635 0.03325 =
0.04696 0.00130 0.02966 -0.02557
AFIX 23
H10T 2 0.541035 0.337942 1.000563 10.67000 -1.20000
H10U 2 0.581436 0.356353 1.032884 10.67000 -1.20000
AFIX 0
C107 1 0.557571 0.295342 1.068806 10.67000 0.22061 0.04998 =
0.04634 -0.00692 0.06788 -0.01773
AFIX 23
H10V 2 0.580955 0.281672 1.092523 10.67000 -1.20000
H10W 2 0.541539 0.258726 1.059487 10.67000 -1.20000
AFIX 0
C108 1 0.540108 0.343219 1.093633 10.67000 0.10090
AFIX 33
H10X 2 0.536352 0.324727 1.122721 10.67000 -1.50000
H10Y 2 0.556119 0.379209 1.103523 10.67000 -1.50000
H 2 0.516712 0.356269 1.070495 10.67000 -1.50000
AFIX 0
PART 0
PART 2
C10A 1 0.595189 0.260411 0.994147 10.33000 0.05529
AFIX 23
H10Z 2 0.583319 0.219343 0.988111 10.33000 -1.20000
HA 2 0.621712 0.253841 1.003701 10.33000 -1.20000
AFIX 0
C10B 1 0.586405 0.291879 1.036219 10.33000 0.07524
AFIX 23
H10 2 0.601464 0.329661 1.045261 10.33000 -1.20000
HB 2 0.593842 0.263848 1.064987 10.33000 -1.20000
AFIX 0
C10C 1 0.546650 0.310292 1.026832 10.33000 0.05191
AFIX 23
H7 2 0.539043 0.334868 0.996126 10.33000 -1.20000
HC 2 0.532278 0.271614 1.019867 10.33000 -1.20000
AFIX 0
C10D 1 0.534581 0.346278 1.064643 10.33000 0.10090
AFIX 33
H12 2 0.508353 0.353388 1.051711 10.33000 -1.50000
HD 2 0.540420 0.322377 1.095181 10.33000 -1.50000
HE 2 0.547237 0.386121 1.071257 10.33000 -1.50000
AFIX 0
C125 1 0.686825 0.144885 0.714030 10.33000 0.10308
AFIX 33
H12P 2 0.694063 0.108423 0.699209 10.33000 -1.50000
H12Q 2 0.695513 0.182350 0.702221 10.33000 -1.50000
H12R 2 0.697399 0.142506 0.749889 10.33000 -1.50000
AFIX 0
C126 1 0.645970 0.147004 0.699799 10.33000 0.08278
AFIX 23
H12S 2 0.639028 0.106706 0.710476 10.33000 -1.20000
H12T 2 0.637166 0.146041 0.663417 10.33000 -1.20000
AFIX 0
PART 0
IR3 3 0.093631 0.644276 0.166944 11.00000 0.03710 0.07040 =
0.02351 0.00795 0.01017 -0.00011
IR4 3 0.130223 0.608564 0.289410 11.00000 0.03937 0.07021 =
0.02239 0.00487 0.01115 0.01585
O1' 5 0.204013 0.618896 0.215085 11.00000 0.04515 0.47237 =
0.13644 0.00131 0.05250 0.02004
O2' 5 0.018449 0.625322 0.238474 11.00000 0.03633 0.16559 =
0.09596 -0.00571 0.02630 -0.00402
O3' 5 0.058675 0.397965 0.166492 11.00000 0.07314 0.08233 =
0.06309 0.01501 0.02142 -0.03302
O4' 5 0.168320 0.859776 0.221302 11.00000 0.08315 0.14583 =
0.06134 -0.02812 0.02069 -0.05958
O5' 5 0.174382 0.395329 0.226805 11.00000 0.08114 0.12105 =
0.06763 -0.03050 0.03112 0.03176
O6' 5 0.075090 0.840155 0.282740 11.00000 0.08986 0.08999 =
0.07392 0.03417 0.04348 0.05353
N01' 4 0.148414 0.628825 0.222844 11.00000 0.02156 0.08382 =
0.01948 -0.00946 0.00444 0.00625
N1' 4 0.087608 0.554222 0.144143 11.00000 0.04080 0.05791 =
0.02229 0.01534 0.00025 -0.01106
N2' 4 0.099369 0.732851 0.178303 11.00000 0.03355 0.11752 =
0.01375 -0.00219 0.01268 0.00661
N02' 4 0.077078 0.619043 0.232823 11.00000 0.02854 0.08345 =
0.02117 0.02162 0.01331 0.01690
N3' 4 0.133871 0.514018 0.281437 11.00000 0.04479 0.07124 =
0.02656 -0.00421 0.01045 0.01767
N4' 4 0.131707 0.694239 0.304615 11.00000 0.04764 0.07111 =
0.02584 0.02630 0.02205 0.01207
C01' 1 0.174845 0.624412 0.219607 11.00000 0.02742 0.16084 =
0.06658 -0.00042 0.01989 0.00120
C1' 1 0.110449 0.653499 0.108104 11.00000 0.03865 0.05526 =
0.02895 0.01421 0.01133 0.00964
C02' 1 0.047878 0.621590 0.235059 11.00000 0.03839 0.11853 =
0.03815 0.01379 0.01450 0.01157
C2' 1 0.122112 0.705898 0.089408 11.00000 0.03531 0.05351 =
0.03703 0.00165 0.01830 -0.00057
AFIX 43
H2' 2 0.121706 0.744816 0.104569 11.00000 -1.20000
AFIX 0
C3' 1 0.134005 0.702833 0.050220 11.00000 0.03795 0.05266 =
0.02271 0.00299 0.01056 0.00090
C4' 1 0.137241 0.645723 0.029216 11.00000 0.07104 0.05138 =
0.03923 -0.00433 0.02703 -0.01576
C5' 1 0.126221 0.591968 0.045596 11.00000 0.07374 0.04856 =
0.03129 -0.00103 0.02269 -0.00378
AFIX 43
H5' 2 0.126855 0.553599 0.029785 11.00000 -1.20000
AFIX 0
C6' 1 0.113848 0.595446 0.086881 11.00000 0.04701 0.04566 =
0.03678 0.01042 0.01616 -0.00382
C7' 1 0.100483 0.542127 0.106225 11.00000 0.04264 0.05247 =
0.02117 0.02018 0.00076 -0.00181
C8' 1 0.098389 0.482463 0.088059 11.00000 0.06595 0.04712 =
0.06472 0.01768 0.03151 0.00459
AFIX 43
H8' 2 0.106535 0.474131 0.060931 11.00000 -1.20000
AFIX 0
C9' 1 0.084710 0.435084 0.108646 11.00000 0.05109 0.05872 =
0.05886 0.01659 0.01058 -0.00620
AFIX 43
H9' 2 0.084220 0.393902 0.096907 11.00000 -1.20000
AFIX 0
C10' 1 0.071478 0.448891 0.147407 11.00000 0.04043 0.06323 =
0.05985 0.02420 0.00959 -0.00508
C11' 1 0.073934 0.509128 0.164516 11.00000 0.04655 0.07215 =
0.02499 0.02350 0.00321 -0.00996
AFIX 43
H11' 2 0.065695 0.518575 0.191378 11.00000 -1.20000
AFIX 0
C12' 1 0.147353 0.751847 0.025003 11.00000 0.03842 0.04660 =
0.03358 0.00097 0.01892 0.00152
C13' 1 0.149243 0.814725 0.030844 11.00000 0.05509 0.04706 =
0.03458 -0.00378 0.02491 -0.00476
AFIX 43
H13' 2 0.143303 0.833652 0.057058 11.00000 -1.20000
AFIX 0
C14' 1 0.160140 0.850972 -0.002648 11.00000 0.04772 0.05741 =
0.02951 -0.00341 0.01414 -0.01902
AFIX 43
H14' 2 0.159504 0.894812 -0.000737 11.00000 -1.20000
AFIX 0
C15' 1 0.171581 0.823677 -0.037749 11.00000 0.06607 0.06496 =
0.05556 -0.01674 0.03531 -0.03852
AFIX 43
H15' 2 0.182010 0.848220 -0.057085 11.00000 -1.20000
AFIX 0
C16' 1 0.168183 0.761842 -0.045242 11.00000 0.07047 0.05809 =
0.04751 -0.00925 0.03526 -0.02248
AFIX 43
H16' 2 0.173045 0.744094 -0.072676 11.00000 -1.20000
AFIX 0
C17' 1 0.157660 0.724129 -0.013215 11.00000 0.05333 0.05940 =
0.04843 -0.01086 0.03384 -0.01058
C18' 1 0.151181 0.653832 -0.014760 11.00000 0.07851 0.04999 =
0.05170 -0.00866 0.04221 -0.00585
C19' 1 0.043138 0.670867 0.128741 11.00000 0.03634
C20' 1 0.013482 0.633900 0.106699 11.00000 0.05427 0.04863 =
0.03015 0.00002 0.01921 0.01185
AFIX 43
H20' 2 0.015730 0.590199 0.105674 11.00000 -1.20000
AFIX 0
C21' 1 -0.020430 0.663472 0.085655 11.00000 0.04514 0.05247 =
0.04679 -0.00503 0.01279 0.00284
C22' 1 -0.025658 0.725868 0.085556 11.00000 0.04805 0.05404 =
0.03890 0.01119 0.01344 0.00432
C23' 1 0.004618 0.762836 0.107420 11.00000 0.05885 0.04043 =
0.04359 -0.00465 0.01435 0.00773
AFIX 43
H23' 2 0.002183 0.806579 0.107053 11.00000 -1.20000
AFIX 0
C24' 1 0.038435 0.735813 0.129807 11.00000 0.03734 0.08056 =
0.02230 0.00067 0.01350 -0.00833
C25' 1 0.070729 0.770831 0.154989 11.00000 0.05048 0.07505 =
0.02552 -0.00734 0.01985 -0.01375
C26' 1 0.072681 0.836709 0.154693 11.00000 0.07655 0.07879 =
0.03921 -0.00581 0.01833 -0.01366
AFIX 43
H26' 2 0.051592 0.860560 0.139199 11.00000 -1.20000
AFIX 0
C27' 1 0.106669 0.866481 0.177930 11.00000 0.08569 0.06784 =
0.05556 -0.00591 0.02461 -0.02907
AFIX 43
H27' 2 0.109255 0.910201 0.178406 11.00000 -1.20000
AFIX 0
C28' 1 0.135937 0.826972 0.199970 11.00000 0.06305 0.10093 =
0.03321 -0.00304 0.02161 -0.02260
C29' 1 0.131877 0.765041 0.200501 11.00000 0.05154 0.09838 =
0.04693 -0.00244 0.01913 -0.00078
AFIX 43
H29' 2 0.152711 0.741243 0.217261 11.00000 -1.20000
AFIX 0
C30' 1 -0.055848 0.632653 0.062291 11.00000 0.04887 0.05112 =
0.04465 0.01206 0.00861 0.00025
C31' 1 -0.067597 0.570879 0.055925 11.00000 0.05735 0.04489 =
0.05175 0.01723 0.01599 0.00774
AFIX 43
H31' 2 -0.050438 0.538236 0.065771 11.00000 -1.20000
AFIX 0
C32' 1 -0.103684 0.557628 0.035585 11.00000 0.06530 0.04803 =
0.06597 0.01288 0.01079 -0.00268
AFIX 43
H32' 2 -0.111650 0.515859 0.033242 11.00000 -1.20000
AFIX 0
C33' 1 -0.128265 0.603860 0.018677 11.00000 0.05076 0.05352 =
0.08414 0.02317 0.00132 -0.00740
AFIX 43
H33' 2 -0.152979 0.593490 0.002664 11.00000 -1.20000
AFIX 0
C34' 1 -0.118382 0.665008 0.024091 11.00000 0.03971 0.05008 =
0.08061 0.01603 0.01450 0.00866
AFIX 43
H34' 2 -0.136183 0.696237 0.011861 11.00000 -1.20000
AFIX 0
C35' 1 -0.082811 0.681268 0.047149 11.00000 0.04237 0.05353 =
0.06564 0.01112 0.01531 0.00128
C36' 1 -0.065170 0.743155 0.060167 11.00000 0.04839 0.04571 =
0.06340 0.01759 0.01707 0.00835
C37' 1 0.109668 0.580506 0.340802 11.00000 0.03663 0.05448 =
0.03059 0.00214 0.01087 0.01180
C38' 1 0.096222 0.617472 0.372429 11.00000 0.05451 0.05887 =
0.03224 0.00326 0.01991 0.00687
AFIX 43
H38' 2 0.098965 0.661171 0.373480 11.00000 -1.20000
AFIX 0
C39' 1 0.079010 0.587516 0.401597 11.00000 0.03047 0.04455 =
0.03210 -0.00780 0.00832 -0.00007
C40' 1 0.074436 0.524089 0.401584 11.00000 0.04612 0.03984 =
0.03134 -0.00430 0.00825 -0.00574
C41' 1 0.088279 0.486923 0.373073 11.00000 0.04831 0.04324 =
0.04050 -0.00966 0.00722 -0.00429
AFIX 43
H41' 2 0.085680 0.443254 0.373605 11.00000 -1.20000
AFIX 0
C42' 1 0.106617 0.514816 0.342646 11.00000 0.04680 0.05189 =
0.03320 -0.00689 0.01156 -0.00078
C43' 1 0.122574 0.479884 0.312044 11.00000 0.03758 0.06773 =
0.02482 0.00154 0.00289 0.02220
C44' 1 0.128517 0.415278 0.314817 11.00000 0.06127 0.06199 =
0.05961 -0.01360 0.01686 0.01945
AFIX 43
H44' 2 0.120651 0.390550 0.336739 11.00000 -1.20000
AFIX 0
C45' 1 0.146121 0.388734 0.284766 11.00000 0.06098 0.08120 =
0.07333 -0.03258 0.02478 0.00319
AFIX 43
H45' 2 0.150110 0.345344 0.285295 11.00000 -1.20000
AFIX 0
C46' 1 0.157678 0.426429 0.254219 11.00000 0.05120 0.09270 =
0.06341 -0.01713 0.01781 0.02692
C47' 1 0.151110 0.486799 0.252442 11.00000 0.02910 0.08881 =
0.03505 -0.01895 0.00117 0.02102
AFIX 43
H47' 2 0.158646 0.511731 0.230323 11.00000 -1.20000
AFIX 0
C48' 1 0.061867 0.614050 0.436027 11.00000 0.03204 0.04147 =
0.04504 -0.00177 0.02054 -0.00294
C49' 1 0.062216 0.674524 0.452610 11.00000 0.03530 0.03901 =
0.04355 0.00382 0.01860 0.00449
AFIX 43
H49' 2 0.072829 0.706994 0.439653 11.00000 -1.20000
AFIX 0
C50' 1 0.045987 0.686223 0.489986 11.00000 0.05126 0.04913 =
0.04357 0.00350 0.02113 0.00832
AFIX 43
H50' 2 0.046531 0.726655 0.503156 11.00000 -1.20000
AFIX 0
C51' 1 0.030172 0.640157 0.506108 11.00000 0.04434 0.06661 =
0.03442 -0.00016 0.02526 -0.00472
AFIX 43
H51' 2 0.019064 0.649182 0.530251 11.00000 -1.20000
AFIX 0
C52' 1 0.029034 0.579346 0.489453 11.00000 0.06262 0.05929 =
0.03991 0.01532 0.02947 0.00663
AFIX 43
H52' 2 0.017332 0.547509 0.501442 11.00000 -1.20000
AFIX 0
C53' 1 0.045739 0.567587 0.454676 11.00000 0.03890 0.05277 =
0.04456 0.00638 0.01819 -0.00781
C54' 1 0.051539 0.504480 0.433387 11.00000 0.06172 0.05228 =
0.05675 0.00357 0.02427 -0.00965
C55' 1 0.181040 0.614700 0.334555 11.00000 0.03239 0.03889 =
0.03032 0.00809 0.01731 0.00870
C56' 1 0.206531 0.567686 0.353928 11.00000 0.03721 0.03678 =
0.02408 -0.00157 0.00744 0.00636
AFIX 43
H56' 2 0.199440 0.525536 0.348596 11.00000 -1.20000
AFIX 0
C57' 1 0.241944 0.582578 0.380758 11.00000 0.03854 0.04643 =
0.01452 0.00865 0.00863 -0.00297
C58' 1 0.253542 0.643725 0.389861 11.00000 0.04772 0.04174 =
0.02611 0.01386 0.02115 -0.00138
C59' 1 0.228538 0.691234 0.372969 11.00000 0.05215 0.03289 =
0.02321 -0.00062 0.02229 -0.00149
AFIX 43
H59' 2 0.235776 0.733131 0.379816 11.00000 -1.20000
AFIX 0
C60' 1 0.192476 0.676749 0.345686 11.00000 0.04978 0.04859 =
0.02583 0.00329 0.01494 0.01005
C61' 1 0.163470 0.723715 0.328749 11.00000 0.05322 0.05726 =
0.02146 0.01285 0.02529 0.01559
C62' 1 0.167707 0.787333 0.335013 11.00000 0.06813 0.05614 =
0.04362 0.01238 0.03117 0.01856
AFIX 43
H62' 2 0.191123 0.804698 0.349736 11.00000 -1.20000
AFIX 0
C63' 1 0.137039 0.825634 0.319364 11.00000 0.07151 0.06427 =
0.03303 0.01465 0.03305 0.02440
AFIX 43
H63' 2 0.139532 0.869191 0.323494 11.00000 -1.20000
AFIX 0
C64' 1 0.105058 0.801091 0.299098 11.00000 0.06990 0.07583 =
0.02967 0.01799 0.03365 0.02195
C65' 1 0.102056 0.738314 0.290612 11.00000 0.05886 0.07732 =
0.03088 0.01396 0.01790 0.02212
AFIX 43
H65' 2 0.078498 0.722484 0.274142 11.00000 -1.20000
AFIX 0
C66' 1 0.272715 0.542424 0.403501 11.00000 0.03887 0.04710 =
0.02554 0.00943 0.01213 0.00071
C67' 1 0.275408 0.478092 0.405794 11.00000 0.03437 0.04601 =
0.03424 -0.00076 0.01810 0.00692
AFIX 43
H67' 2 0.254728 0.453062 0.390844 11.00000 -1.20000
AFIX 0
C68' 1 0.308379 0.451388 0.429971 11.00000 0.04736 0.05268 =
0.03867 0.02475 0.02854 0.01650
AFIX 43
H68' 2 0.310106 0.407640 0.432985 11.00000 -1.20000
AFIX 0
C69' 1 0.339229 0.487245 0.450082 11.00000 0.03829 0.08093 =
0.03732 0.01303 0.01180 0.01690
AFIX 43
H69' 2 0.361923 0.467683 0.465394 11.00000 -1.20000
AFIX 0
C70' 1 0.337235 0.551543 0.448032 11.00000 0.03409 0.07617 =
0.03907 0.01038 0.01268 0.01387
AFIX 43
H70' 2 0.358217 0.576119 0.462390 11.00000 -1.20000
AFIX 0
C71' 1 0.304029 0.578803 0.424628 11.00000 0.03252 0.05067 =
0.04260 0.00962 0.01695 -0.00070
C72' 1 0.294248 0.646697 0.416802 11.00000 0.04583 0.05206 =
0.04812 0.00439 0.01340 -0.00100
C73' 1 0.121386 0.632947 -0.065178 11.00000 0.09550 0.04892 =
0.03752 0.00263 0.03128 -0.01977
AFIX 23
H73A 2 0.132400 0.635029 -0.091694 11.00000 -1.20000
H73B 2 0.114966 0.589199 -0.061993 11.00000 -1.20000
AFIX 0
C74' 1 0.087571 0.670053 -0.080260 11.00000 0.10385 0.04314 =
0.05993 -0.00667 0.02009 -0.01754
AFIX 23
H74A 2 0.091132 0.704897 -0.100566 11.00000 -1.20000
H74B 2 0.084606 0.688158 -0.050171 11.00000 -1.20000
AFIX 0
C75' 1 0.052007 0.638339 -0.108682 11.00000 0.09837 0.10617 =
0.07537 0.04118 -0.00738 -0.02311
AFIX 23
H75A 2 0.033153 0.670464 -0.121181 11.00000 -1.20000
H75B 2 0.055200 0.617100 -0.137501 11.00000 -1.20000
AFIX 0
C76' 1 0.038649 0.592219 -0.079705 11.00000 0.06906 0.07711 =
0.06943 0.00882 0.01792 -0.00458
AFIX 23
H76A 2 0.059662 0.569354 -0.057669 11.00000 -1.20000
H76B 2 0.022797 0.561957 -0.102629 11.00000 -1.20000
AFIX 0
C77' 1 0.017806 0.621236 -0.049165 11.00000 0.08310 0.10739 =
0.08129 -0.00592 0.02974 0.00753
AFIX 23
H77A 2 0.032671 0.654120 -0.028109 11.00000 -1.20000
H77B 2 -0.004689 0.640419 -0.071109 11.00000 -1.20000
AFIX 0
C78' 1 0.008455 0.573743 -0.017842 11.00000 0.05294 0.15396 =
0.08558 0.01545 0.01748 -0.00638
AFIX 33
H78A 2 -0.005023 0.593208 0.001703 11.00000 -1.50000
H78B 2 -0.006537 0.541521 -0.038757 11.00000 -1.50000
H78C 2 0.030761 0.555200 0.004172 11.00000 -1.50000
AFIX 0
C79' 1 0.184859 0.618628 -0.009099 11.00000 0.08808 0.07543 =
0.09773 -0.00375 0.04550 0.00743
PART 2
AFIX 23
H79C 2 0.196653 0.638508 -0.030993 10.40000 -1.20000
H79D 2 0.177281 0.576875 -0.022715 10.40000 -1.20000
AFIX 23
PART 0
PART 1
H79A 2 0.190294 0.620036 -0.040406 10.60000 -1.20000
H79B 2 0.181051 0.574808 -0.002029 10.60000 -1.20000
AFIX 0
PART 0
C81' 1 0.249969 0.605668 0.026999 11.00000 0.23895
PART 2
AFIX 23
H81C 2 0.253887 0.560375 0.027794 10.40000 -1.20000
H81D 2 0.268015 0.620849 0.057723 10.40000 -1.20000
AFIX 23
PART 0
PART 1
H81A 2 0.241987 0.562203 0.019875 10.60000 -1.20000
H81B 2 0.268868 0.606034 0.059756 10.60000 -1.20000
AFIX 0
PART 0
C82' 1 0.269025 0.625996 -0.012559 11.00000 0.26800
AFIX 23
H82A 2 0.252349 0.612817 -0.044984 11.00000 -1.20000
H82B 2 0.268856 0.671795 -0.012813 11.00000 -1.20000
AFIX 0
C83' 1 0.307437 0.606630 -0.011609 11.00000 0.17460
AFIX 23
H83A 2 0.326549 0.626325 0.015908 11.00000 -1.20000
H83B 2 0.310582 0.561151 -0.009633 11.00000 -1.20000
AFIX 0
C84' 1 0.307125 0.631714 -0.061162 11.00000 0.25344
AFIX 33
H84A 2 0.330397 0.622668 -0.065928 11.00000 -1.50000
H84B 2 0.287488 0.612068 -0.087380 11.00000 -1.50000
H84C 2 0.303290 0.676566 -0.062104 11.00000 -1.50000
AFIX 0
C85' 1 -0.069242 0.783308 0.015460 11.00000 0.05954 0.04852 =
0.05236 0.00402 0.00838 -0.00585
AFIX 23
H85A 2 -0.056872 0.823201 0.026767 11.00000 -1.20000
H85B 2 -0.095340 0.792287 -0.000479 11.00000 -1.20000
AFIX 0
C86' 1 -0.054354 0.756155 -0.023174 11.00000 0.05244 0.08264 =
0.04133 0.01481 0.00424 -0.00744
AFIX 23
H86A 2 -0.028567 0.745271 -0.006826 11.00000 -1.20000
H86B 2 -0.067557 0.717250 -0.035567 11.00000 -1.20000
AFIX 0
C87' 1 -0.056725 0.796856 -0.066638 11.00000 0.04340 0.05149 =
0.04895 0.01382 0.00170 -0.00874
AFIX 23
H87A 2 -0.082608 0.805658 -0.084347 11.00000 -1.20000
H87B 2 -0.044732 0.836750 -0.054329 11.00000 -1.20000
AFIX 0
C88' 1 -0.039931 0.770348 -0.102624 11.00000 0.07886 0.08467 =
0.05107 0.02590 0.01539 0.00756
AFIX 23
H88A 2 -0.054685 0.734529 -0.119227 11.00000 -1.20000
H88B 2 -0.015473 0.754637 -0.083979 11.00000 -1.20000
AFIX 0
C89' 1 -0.036401 0.814591 -0.141595 11.00000 0.08294 0.07411 =
0.06044 0.01068 0.02141 -0.01174
AFIX 23
H89A 2 -0.061006 0.826718 -0.162747 11.00000 -1.20000
H89B 2 -0.023902 0.852467 -0.125249 11.00000 -1.20000
AFIX 0
C90' 1 -0.016029 0.788911 -0.173641 11.00000 0.12728 0.08807 =
0.09543 0.03295 0.06028 0.00966
AFIX 33
H90A 2 -0.014920 0.820166 -0.197798 11.00000 -1.50000
H90B 2 0.008635 0.777813 -0.153223 11.00000 -1.50000
H90C 2 -0.028529 0.752023 -0.190782 11.00000 -1.50000
AFIX 0
C91' 1 -0.080908 0.777030 0.095543 11.00000 0.07113 0.04913 =
0.07055 0.00194 0.02295 0.01630
AFIX 23
H91A 2 -0.067032 0.815671 0.106641 11.00000 -1.20000
H91B 2 -0.106328 0.788664 0.077556 11.00000 -1.20000
AFIX 0
C92' 1 -0.080095 0.739273 0.140206 11.00000 0.12758 0.15247 =
0.09403 0.03575 0.06204 0.03659
AFIX 23
H92A 2 -0.092219 0.699342 0.128345 11.00000 -1.20000
H92B 2 -0.054392 0.729899 0.158538 11.00000 -1.20000
AFIX 0
C93' 1 -0.095780 0.763878 0.173877 11.00000 0.13559 0.17648 =
0.07687 0.03025 0.03704 0.06554
AFIX 23
H93A 2 -0.120791 0.777119 0.155284 11.00000 -1.20000
H93B 2 -0.082007 0.801447 0.188640 11.00000 -1.20000
AFIX 0
C94' 1 -0.097535 0.722596 0.214747 11.00000 0.22023 0.21872 =
0.09528 0.04063 0.07446 0.03711
AFIX 23
H94A 2 -0.101088 0.748268 0.241328 11.00000 -1.20000
H94B 2 -0.074125 0.700604 0.228352 11.00000 -1.20000
AFIX 0
C95' 1 -0.129989 0.672158 0.197254 11.00000 0.21105 0.15639 =
0.13027 0.06830 0.05936 0.08460
AFIX 23
H95A 2 -0.152512 0.692104 0.176109 11.00000 -1.20000
H95B 2 -0.123354 0.638729 0.178230 11.00000 -1.20000
AFIX 0
C96' 1 -0.135809 0.645646 0.243372 11.00000 0.20582 0.38697 =
0.15609 0.07092 0.06963 -0.04743
AFIX 33
H96A 2 -0.155341 0.614920 0.233893 11.00000 -1.50000
H96B 2 -0.113389 0.625924 0.263960 11.00000 -1.50000
H96C 2 -0.142432 0.679089 0.261847 11.00000 -1.50000
AFIX 0
C97' 1 0.073369 0.460834 0.476093 11.00000 0.07402 0.05096 =
0.06358 0.01296 0.04401 0.00242
AFIX 23
H97A 2 0.057277 0.447664 0.494740 11.00000 -1.20000
H97B 2 0.080437 0.423299 0.461677 11.00000 -1.20000
AFIX 0
C98' 1 0.107079 0.489637 0.511416 11.00000 0.06787 0.06187 =
0.05031 0.01128 0.03766 0.01383
AFIX 23
H98A 2 0.100108 0.524470 0.528839 11.00000 -1.20000
H98B 2 0.122402 0.506311 0.492812 11.00000 -1.20000
AFIX 0
C99' 1 0.128823 0.442193 0.548981 11.00000 0.11413 0.05142 =
0.07652 0.01896 0.01720 0.02196
AFIX 23
H99A 2 0.112715 0.422571 0.565162 11.00000 -1.20000
H99B 2 0.137678 0.409408 0.531683 11.00000 -1.20000
AFIX 0
C200 1 0.160722 0.471121 0.587605 11.00000 0.11249 0.14101 =
0.06607 -0.00582 0.00859 0.04190
AFIX 23
H20A 2 0.172863 0.501394 0.572325 11.00000 -1.20000
H20B 2 0.178543 0.438915 0.604213 11.00000 -1.20000
AFIX 0
C201 1 0.146275 0.503292 0.624479 11.00000 0.25420 0.13297 =
0.08561 0.00067 0.05073 0.08475
AFIX 23
H20C 2 0.127715 0.533865 0.606795 11.00000 -1.20000
H20D 2 0.166385 0.526252 0.648233 11.00000 -1.20000
AFIX 0
C202 1 0.128275 0.456126 0.655073 11.00000 0.33688 0.20254 =
0.19725 0.01249 0.19402 0.08937
AFIX 33
H20E 2 0.119606 0.480016 0.678008 11.00000 -1.50000
H20F 2 0.107887 0.433944 0.631972 11.00000 -1.50000
H20G 2 0.146609 0.426321 0.673467 11.00000 -1.50000
AFIX 0
C203 1 0.015085 0.475051 0.402021 11.00000 0.07176 0.05901 =
0.07524 -0.01310 0.03449 -0.01859
PART 1
AFIX 23
H20H 2 0.019640 0.432047 0.393719 10.60000 -1.20000
H20I 2 -0.001396 0.473295 0.421923 10.60000 -1.20000
AFIX 23
PART 0
PART 2
H20J 2 0.021755 0.438555 0.385993 10.40000 -1.20000
H20K 2 0.003966 0.458592 0.425924 10.40000 -1.20000
AFIX 0
PART 0
C206 1 -0.049001 0.516385 0.274789 11.00000 0.20204 0.13714 =
0.04863 -0.01765 0.00304 0.01512
PART 2
AFIX 23
H20N 2 -0.071651 0.495533 0.274638 10.40000 -1.20000
H20O 2 -0.050645 0.561483 0.279690 10.40000 -1.20000
AFIX 23
PART 0
PART 1
H20L 2 -0.075823 0.518494 0.263123 10.60000 -1.20000
H20M 2 -0.040177 0.558883 0.284729 10.60000 -1.20000
AFIX 0
PART 0
C207 1 -0.037786 0.500451 0.230318 11.00000 0.14841 0.08452 =
0.07724 -0.00718 0.01313 0.00779
AFIX 23
H20P 2 -0.039181 0.455103 0.225222 11.00000 -1.20000
H20Q 2 -0.012332 0.513365 0.236423 11.00000 -1.20000
AFIX 0
C208 1 -0.062455 0.532876 0.183635 11.00000 0.24450 0.19106 =
0.03743 -0.00322 0.01736 0.04193
AFIX 33
H20R 2 -0.054640 0.521824 0.155576 11.00000 -1.50000
H20S 2 -0.087607 0.519596 0.177246 11.00000 -1.50000
H20T 2 -0.060785 0.577799 0.188435 11.00000 -1.50000
AFIX 0
C209 1 0.302363 0.680585 0.466760 11.00000 0.04713 0.05761 =
0.03861 0.00375 0.00083 -0.01260
AFIX 23
H20U 2 0.328834 0.678712 0.483984 11.00000 -1.20000
H20V 2 0.295841 0.724709 0.459990 11.00000 -1.20000
AFIX 0
C210 1 0.283355 0.656598 0.501327 11.00000 0.06600 0.05347 =
0.05280 -0.00107 0.01703 -0.00152
AFIX 23
H21A 2 0.256842 0.657941 0.484329 11.00000 -1.20000
H21B 2 0.290251 0.612781 0.509073 11.00000 -1.20000
AFIX 0
C211 1 0.291881 0.692136 0.548647 11.00000 0.07117 0.07120 =
0.05935 -0.00586 0.01484 -0.00784
PART 1
AFIX 23
H21C 2 0.279230 0.732454 0.541171 10.50000 -1.20000
H21D 2 0.318237 0.700890 0.560310 10.50000 -1.20000
AFIX 23
PART 0
PART 2
H21E 2 0.291352 0.737063 0.541755 10.50000 -1.20000
H21F 2 0.316538 0.681306 0.570413 10.50000 -1.20000
AFIX 0
PART 0
C215 1 0.314581 0.679354 0.385392 11.00000 0.06828 0.04772 =
0.08217 0.01740 0.03805 -0.00618
AFIX 23
H21G 2 0.307904 0.723716 0.382548 11.00000 -1.20000
H21H 2 0.340979 0.676631 0.402950 11.00000 -1.20000
AFIX 0
C216 1 0.306972 0.653340 0.334621 11.00000 0.12519 0.12191 =
0.08997 0.00743 0.08239 0.00343
PART 1
AFIX 23
H21I 2 0.280509 0.655697 0.317435 10.50000 -1.20000
H21J 2 0.313707 0.609004 0.337738 10.50000 -1.20000
AFIX 23
PART 0
PART 2
H21K 2 0.284141 0.630336 0.330003 10.50000 -1.20000
H21L 2 0.325823 0.620917 0.340246 10.50000 -1.20000
AFIX 0
PART 0
C221 1 0.043135 0.414603 0.203587 11.00000 0.08730 0.12813 =
0.06699 0.03689 0.03167 -0.01603
AFIX 137
H22A 2 0.062546 0.424561 0.234159 11.00000 -1.50000
H22B 2 0.028835 0.379881 0.209302 11.00000 -1.50000
H22C 2 0.027395 0.450747 0.192668 11.00000 -1.50000
AFIX 0
C222 1 0.201217 0.820630 0.235360 11.00000 0.06919 0.21522 =
0.05068 -0.02396 0.02655 -0.05404
AFIX 137
H22D 2 0.205608 0.804389 0.268603 11.00000 -1.50000
H22E 2 0.222086 0.845421 0.234623 11.00000 -1.50000
H22F 2 0.197755 0.786141 0.212170 11.00000 -1.50000
AFIX 0
C223 1 0.187701 0.433388 0.195525 11.00000 0.08861 0.13870 =
0.06969 -0.01433 0.03394 0.03951
AFIX 137
H22G 2 0.205696 0.462526 0.215653 11.00000 -1.50000
H22H 2 0.167508 0.456423 0.172823 11.00000 -1.50000
H22I 2 0.198997 0.407212 0.176732 11.00000 -1.50000
AFIX 0
C224 1 0.038889 0.813746 0.260181 11.00000 0.06432 0.16581 =
0.09922 0.05141 0.03934 0.06208
AFIX 137
H22J 2 0.032774 0.787487 0.284144 11.00000 -1.50000
H22K 2 0.038591 0.788867 0.231565 11.00000 -1.50000
H22L 2 0.021072 0.847209 0.249735 11.00000 -1.50000
AFIX 0
PART 1
C21B 1 0.282203 0.662609 0.591445 10.50000 0.07606
AFIX 23
H21M 2 0.292260 0.620143 0.595948 10.50000 -1.20000
H21N 2 0.295187 0.686058 0.621591 10.50000 -1.20000
AFIX 0
C21C 1 0.243145 0.658221 0.588702 10.50000 0.15652
AFIX 23
H21O 2 0.229629 0.638052 0.557170 10.50000 -1.20000
H21P 2 0.233611 0.700859 0.587443 10.50000 -1.20000
AFIX 0
C21D 1 0.234169 0.623697 0.629764 10.50000 0.08561
AFIX 33
H21Q 2 0.207896 0.624419 0.623348 10.50000 -1.50000
H21R 2 0.242432 0.580732 0.630913 10.50000 -1.50000
H21S 2 0.246432 0.643829 0.661327 10.50000 -1.50000
AFIX 0
C80' 1 0.216617 0.643682 0.031310 10.60000 0.04845
AFIX 23
H80A 2 0.213491 0.637174 0.063775 10.60000 -1.20000
H80B 2 0.219787 0.688451 0.026683 10.60000 -1.20000
AFIX 0
C204 1 -0.003903 0.510577 0.354037 10.70000 0.06223
AFIX 23
H20W 2 -0.010593 0.552373 0.362262 10.70000 -1.20000
H20X 2 0.013236 0.515570 0.335337 10.70000 -1.20000
AFIX 0
C205 1 -0.038081 0.477386 0.321675 10.70000 0.06651 0.16167 =
0.10483 0.03288 0.00014 -0.03166
AFIX 23
H20Y 2 -0.032699 0.434190 0.314910 10.70000 -1.20000
HF 2 -0.057340 0.477381 0.337199 10.70000 -1.20000
AFIX 0
C217 1 0.326194 0.684273 0.302298 10.50000 0.13571
AFIX 23
H21T 2 0.351997 0.671619 0.313205 10.50000 -1.20000
H21U 2 0.325210 0.729772 0.305601 10.50000 -1.20000
AFIX 0
C218 1 0.308085 0.665846 0.248272 10.50000 0.09635
AFIX 23
H21V 2 0.301258 0.621700 0.247999 10.50000 -1.20000
H21W 2 0.326952 0.668372 0.232143 10.50000 -1.20000
AFIX 0
C219 1 0.274541 0.700520 0.215025 10.50000 0.13522
AFIX 23
H21X 2 0.252287 0.687181 0.221694 10.50000 -1.20000
H21Y 2 0.277406 0.745799 0.219941 10.50000 -1.20000
AFIX 0
C220 1 0.273111 0.682673 0.163575 10.50000 0.21589
AFIX 33
H22M 2 0.252310 0.702889 0.139630 10.50000 -1.50000
H22N 2 0.295517 0.695880 0.158009 10.50000 -1.50000
H22O 2 0.270579 0.637686 0.159749 10.50000 -1.50000
AFIX 0
PART 0
PART 2
C20B 1 -0.015572 0.506549 0.362309 10.30000 0.05959
AFIX 23
H20Z 2 -0.012967 0.552024 0.365823 10.30000 -1.20000
HG 2 -0.039164 0.494767 0.365790 10.30000 -1.20000
AFIX 0
C20C 1 -0.014466 0.486760 0.311181 10.30000 0.05924
AFIX 23
H20 2 -0.015117 0.441142 0.307936 10.30000 -1.20000
HH 2 0.007664 0.502562 0.305446 10.30000 -1.20000
AFIX 0
C21E 1 0.302585 0.673657 0.282081 10.50000 0.13571
AFIX 23
H21Z 2 0.326131 0.692338 0.283679 10.50000 -1.20000
HI 2 0.284892 0.708095 0.275005 10.50000 -1.20000
AFIX 0
C21F 1 0.291219 0.632407 0.234408 10.50000 0.09635
AFIX 23
H21 2 0.315575 0.614089 0.240588 10.50000 -1.20000
HJ 2 0.278450 0.600936 0.247706 10.50000 -1.20000
AFIX 0
C21G 1 0.276170 0.609870 0.181458 10.50000 0.13522
AFIX 23
H1 2 0.296352 0.613337 0.167772 10.50000 -1.20000
HK 2 0.257840 0.640832 0.163852 10.50000 -1.20000
AFIX 0
C21H 1 0.258887 0.546627 0.165270 10.50000 0.21589
AFIX 33
H2 2 0.251421 0.543513 0.129368 10.50000 -1.50000
HL 2 0.276532 0.514020 0.180011 10.50000 -1.50000
HM 2 0.237625 0.541797 0.176051 10.50000 -1.50000
AFIX 0
C80B 1 0.214839 0.609054 0.041074 10.40000 0.09834
AFIX 23
H80C 2 0.210945 0.570240 0.056942 10.40000 -1.20000
H80D 2 0.215689 0.644174 0.063516 10.40000 -1.20000
AFIX 0
C212 1 0.264328 0.676978 0.574238 10.50000 0.07606
AFIX 23
H3 2 0.239576 0.679526 0.550157 10.50000 -1.20000
HN 2 0.268245 0.634054 0.586866 10.50000 -1.20000
AFIX 0
C213 1 0.267290 0.720321 0.615931 10.50000 0.12743
AFIX 23
H4 2 0.258447 0.761697 0.602594 10.50000 -1.20000
HO 2 0.293103 0.724428 0.636240 10.50000 -1.20000
AFIX 0
C214 1 0.245483 0.698018 0.648302 10.50000 0.15338
AFIX 33
H5 2 0.248164 0.727636 0.675050 10.50000 -1.50000
HP 2 0.219825 0.694687 0.628490 10.50000 -1.50000
HQ 2 0.254473 0.657426 0.662128 10.50000 -1.50000
AFIX 0
HKLF 4
REM 07srv542_a.res in P2(1)/c
REM wR2 = 0.1845, GooF = S = 0.966, Restrained GooF = 0.944 for all data
REM R1 = 0.0771 for 19348 Fo > 4sig(Fo) and 0.1809 for all 40676 data
REM 2479 parameters refined using 2600 restraints
END
WGHT 0.0640 0.0000
REM Highest difference peak 2.801, deepest hole -2.196, 1-sigma level 0.161
Q1 1 0.0913 0.6883 0.1711 11.00000 0.05 2.80
Q2 1 0.4014 0.3404 0.7364 11.00000 0.05 2.41
Q3 1 0.3616 0.3370 0.6131 11.00000 0.05 2.34
Q4 1 0.4105 0.3374 0.6132 11.00000 0.05 2.21
Q5 1 0.4511 0.3400 0.7364 11.00000 0.05 2.19
Q6 1 0.1335 0.6526 0.2905 11.00000 0.05 1.67
Q7 1 0.3878 0.3666 0.6206 11.00000 0.05 1.28
Q8 1 0.4255 0.3764 0.7392 11.00000 0.05 1.24
Q9 1 0.1315 0.7305 0.3053 11.00000 0.05 1.20
Q10 1 0.1020 0.6087 0.2887 11.00000 0.05 1.18
Q11 1 0.3602 0.3817 0.5811 11.00000 0.05 1.18
Q12 1 0.4483 0.3509 0.6597 11.00000 0.05 1.15
Q13 1 0.4002 0.3820 0.7021 11.00000 0.05 1.15
Q14 1 0.4703 0.1489 0.3634 11.00000 0.05 1.15
Q15 1 0.0619 0.6437 0.1662 11.00000 0.05 1.10
Q16 1 0.4302 0.3277 0.7608 11.00000 0.05 1.08
Q17 1 0.3809 0.3387 0.5895 11.00000 0.05 1.07
Q18 1 0.4129 0.3064 0.6583 11.00000 0.05 1.06
Q19 1 0.4501 0.3917 0.7636 11.00000 0.05 1.05
Q20 1 0.1223 0.6498 0.1683 11.00000 0.05 1.03
;
_shelx_res_checksum 65160
_shelx_fab_file
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40 1 2 0.7658 1.1642
40 1 3 6.9484 -1.3859
40 1 4 -6.4017 0.1790
40 1 5 0.2969 0.5795
40 1 6 -4.3246 1.7513
40 2 0 18.4157 -0.0837
40 2 1 1.8048 0.1117
40 2 2 -4.2997 -0.5996
40 2 3 2.6803 -1.2656
40 2 4 -8.9450 1.2685
40 2 5 6.9681 -0.4010
40 2 6 -0.7505 -1.0633
40 3 0 3.0300 -0.7666
40 3 1 -10.2761 0.0361
40 3 2 -8.0316 0.6430
40 3 3 -0.1279 0.5834
40 3 4 -1.6130 0.8599
40 3 5 14.3090 -0.3682
40 3 6 0.5225 1.0207
40 4 0 1.3462 0.3458
40 4 1 6.6761 1.3091
40 4 2 13.9956 -0.7280
40 4 3 7.2579 -1.1219
40 4 4 -3.8369 -0.6995
40 4 5 -7.3660 -0.3604
40 4 6 -8.0934 -0.1070
40 5 0 2.6470 -0.7595
40 5 1 3.2622 -0.0690
40 5 2 -8.2202 -0.1150
40 5 3 -14.1141 1.0904
40 5 4 1.7110 0.1726
40 5 5 5.5889 1.3680
40 6 0 -8.7637 0.0792
40 6 1 9.2640 0.1455
40 6 2 1.4871 -0.3864
40 6 3 -0.9982 0.1679
40 6 4 6.7543 -2.0539
40 6 5 -1.6627 0.3966
40 7 0 -3.0390 -0.5416
40 7 1 9.4045 0.2434
40 7 2 -6.8126 -0.0948
40 7 3 -4.5964 0.9614
40 7 4 -0.5147 0.4667
40 8 0 -9.1183 -0.1203
40 8 1 4.9732 0.4530
40 8 2 -0.9757 -0.2715
40 8 3 5.9935 -1.1135
40 9 0 4.0661 -1.0928
40 9 1 9.4501 -0.1100
40 9 2 -0.4960 0.7415
40 10 0 -2.8633 0.1438
40 10 1 -5.3314 0.4705
41 0 0 25.8283 0.4260
41 0 2 -7.2706 -2.8946
41 0 4 -7.9143 2.0612
41 1 0 3.2150 -0.7915
41 1 1 -9.7347 0.5528
41 1 2 -2.1161 1.3279
41 1 3 9.4356 0.1819
41 1 4 1.9299 2.6077
41 1 5 -5.4855 -0.6786
41 2 0 8.2792 -0.8613
41 2 1 -4.6734 0.5681
41 2 2 -4.4536 -0.2579
41 2 3 -2.5234 -1.8470
41 2 4 7.8710 0.4469
41 2 5 0.6297 -0.5258
41 3 0 2.1443 0.5505
41 3 1 7.2460 0.6963
41 3 2 9.5075 0.1164
41 3 3 -6.3195 0.2176
41 3 4 2.4983 0.6343
41 3 5 -7.6028 0.0841
41 4 0 0.4529 -1.0846
41 4 1 1.1394 -0.1326
41 4 2 -5.8176 -0.3907
41 4 3 -12.9436 -0.3695
41 4 4 10.7326 -0.5361
41 5 0 -8.8034 0.5059
41 5 1 7.9933 0.2690
41 5 2 0.1121 0.3497
41 5 3 -4.5522 0.2146
41 5 4 10.3776 0.1520
41 6 0 0.3642 -0.6775
41 6 1 6.9075 -0.5987
41 6 2 -2.1287 -0.0691
41 6 3 -2.5312 -0.8232
41 7 0 -1.6502 0.3727
41 7 1 1.7067 0.5865
41 7 2 -4.4266 1.3223
41 8 0 9.2136 -0.9066
41 8 1 1.4078 -1.3633
41 9 0 1.4741 0.8701
42 0 0 -9.3402 0.5371
42 0 2 2.8994 0.0722
42 1 0 -6.7475 1.1029
42 1 1 -1.3110 -0.3818
42 1 2 5.2560 -0.5739
42 1 3 -5.6983 1.2983
42 2 0 -12.0116 0.2601
42 2 1 -1.2160 0.3043
42 2 2 5.3521 -0.9618
42 2 3 -9.3693 0.8295
42 3 0 1.4331 0.9320
42 3 1 5.2843 0.2588
42 3 2 7.4870 -1.1947
42 3 3 -3.2960 -0.3759
42 4 0 0.1891 -0.8713
42 4 1 -8.0508 -0.0505
42 4 2 -12.3594 0.9403
42 5 0 -1.0959 1.3182
42 5 1 5.6124 -0.2521
42 5 2 3.6198 -0.3652
42 6 0 13.4169 -1.0013
42 6 1 -1.5055 -0.9178
42 7 0 2.4897 1.2577
43 0 0 -24.4565 1.3800
43 0 2 10.3572 0.6808
43 1 0 5.3821 0.8259
43 1 1 3.7882 -0.3829
43 1 2 -0.0115 -2.8433
43 2 0 -4.1710 -0.0109
43 2 1 -1.3301 0.8619
43 3 0 -3.0134 0.2131
43 3 1 -1.2964 -0.3540
43 4 0 5.8841 0.2469
43 4 1 1.0484 -0.2709
43 5 0 8.3414 0.0061
44 0 0 1.8637 -0.7944
0 0 0 0.0 0.0
;
_shelx_fab_checksum 5421
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir Ir1 0.38516(2) 0.33601(2) 0.61355(2) 0.02057(11) Uani d 1 . .
Ir Ir2 0.42702(2) 0.33949(2) 0.73765(2) 0.02300(12) Uani d 1 . .
O O1 0.4959(3) 0.3018(5) 0.6592(4) 0.070(3) Uani d 1 . .
O O2 0.3151(3) 0.3372(8) 0.6939(4) 0.141(7) Uani d 1 . .
O O3 0.4252(2) 0.0935(4) 0.6313(3) 0.040(2) Uani d 1 . .
O O4 0.3555(2) 0.5731(4) 0.6482(3) 0.042(2) Uani d 1 . .
O O5 0.3651(2) 0.1113(4) 0.7197(3) 0.040(2) Uani d 1 . .
O O6 0.4769(2) 0.5511(4) 0.6824(3) 0.044(2) Uani d 1 . .
N N1 0.3782(2) 0.2425(4) 0.6066(3) 0.021(2) Uani d 1 . .
N N01 0.4409(2) 0.3274(4) 0.6679(3) 0.02057(11) Uani d 1 . .
N N02 0.3720(2) 0.3438(4) 0.6830(3) 0.02057(11) Uani d 1 . .
N N2 0.3876(2) 0.4302(4) 0.6089(3) 0.021(2) Uani d 1 . .
N N3 0.4246(2) 0.2455(4) 0.7482(3) 0.020(2) Uiso d 1 . .
N N4 0.4344(2) 0.4315(4) 0.7348(3) 0.027(2) Uani d 1 . .
C C01 0.4667(3) 0.3152(6) 0.6639(4) 0.035(3) Uani d 1 . .
C C1 0.3339(3) 0.3342(5) 0.5705(3) 0.012(2) Uiso d 1 . .
C C02 0.3442(3) 0.3383(7) 0.6887(4) 0.050(4) Uani d 1 . .
C C2 0.3103(3) 0.3846(6) 0.5509(4) 0.026(3) Uani d 1 . .
H H2A 0.319531 0.425605 0.555252 0.032 Uiso calc 1 . .
C C3 0.2743(3) 0.3747(5) 0.5259(4) 0.023(2) Uani d 1 . .
C C4 0.2600(3) 0.3155(5) 0.5171(4) 0.025(2) Uani d 1 . .
C C5 0.2817(3) 0.2643(5) 0.5347(4) 0.030(3) Uani d 1 . .
H H5A 0.272013 0.223609 0.529200 0.036 Uiso calc 1 . .
C C6 0.3187(3) 0.2745(5) 0.5609(4) 0.023(2) Uani d 1 . .
C C7 0.3442(3) 0.2234(5) 0.5784(4) 0.027(2) Uani d 1 . .
C C8 0.3381(3) 0.1608(5) 0.5688(4) 0.029(3) Uani d 1 . .
H H8 0.314557 0.147633 0.549232 0.035 Uiso calc 1 . .
C C9 0.3640(3) 0.1181(6) 0.5859(4) 0.034(3) Uani d 1 . .
H H9 0.358851 0.075481 0.579018 0.041 Uiso calc 1 . .
C C10 0.3988(3) 0.1374(5) 0.6142(4) 0.030(3) Uani d 1 . .
C C11 0.4048(3) 0.1995(5) 0.6239(4) 0.025(2) Uani d 1 . .
H H11 0.428345 0.212814 0.643230 0.030 Uiso calc 1 . .
C C12 0.2450(3) 0.4199(6) 0.5032(4) 0.028(3) Uani d 1 . .
C C13 0.2458(3) 0.4825(6) 0.5018(4) 0.031(3) Uani d 1 . .
H H13 0.267775 0.503955 0.517626 0.038 Uiso calc 1 . .
C C14 0.2148(3) 0.5150(6) 0.4773(4) 0.038(3) Uani d 1 . .
H H14 0.215184 0.558913 0.476601 0.046 Uiso calc 1 . .
C C15 0.1827(3) 0.4825(7) 0.4533(4) 0.043(3) Uani d 1 . .
H H15 0.161443 0.504231 0.434982 0.052 Uiso calc 1 . .
C C16 0.1822(3) 0.4197(6) 0.4567(4) 0.037(3) Uani d 1 . .
H H16 0.160202 0.398011 0.441766 0.044 Uiso calc 1 . .
C C17 0.2132(3) 0.3871(6) 0.4812(4) 0.029(2) Uani d 1 . .
C C18 0.2193(3) 0.3170(6) 0.4879(4) 0.033(3) Uani d 1 . .
C C19 0.4062(3) 0.3423(5) 0.5594(4) 0.022(2) Uani d 1 . .
C C20 0.4160(3) 0.2960(5) 0.5326(4) 0.023(3) Uani d 1 . .
H H6 0.409484 0.254396 0.536381 0.027 Uiso calc 1 . .
C C21 0.4349(3) 0.3087(5) 0.5007(4) 0.024(2) Uani d 1 . .
C C22 0.4436(3) 0.3688(5) 0.4922(4) 0.025(3) Uani d 1 . .
C C23 0.4341(3) 0.4173(5) 0.5167(4) 0.021(2) Uani d 1 . .
H H23 0.439600 0.458763 0.510747 0.025 Uiso calc 1 . .
C C24 0.4161(3) 0.4038(5) 0.5507(4) 0.022(2) Uani d 1 . .
C C25 0.4033(3) 0.4528(5) 0.5764(4) 0.029(3) Uani d 1 . .
C C26 0.4040(3) 0.5161(5) 0.5699(4) 0.030(3) Uani d 1 . .
H H26 0.415868 0.532235 0.548451 0.036 Uiso calc 1 . .
C C27 0.3879(3) 0.5563(5) 0.5937(4) 0.032(3) Uani d 1 . .
H H27 0.388224 0.599631 0.588221 0.038 Uiso calc 1 . .
C C28 0.3712(3) 0.5325(6) 0.6258(4) 0.032(3) Uani d 1 . .
C C29 0.3724(3) 0.4701(5) 0.6338(4) 0.026(3) Uani d 1 . .
H H29 0.362348 0.453780 0.657298 0.031 Uiso calc 1 . .
C C30 0.4487(3) 0.2650(5) 0.4701(4) 0.027(3) Uani d 1 . .
C C31 0.4461(3) 0.2019(5) 0.4650(4) 0.030(3) Uani d 1 . .
H H31 0.434090 0.177821 0.482657 0.036 Uiso calc 1 . .
C C32 0.4618(3) 0.1746(5) 0.4332(4) 0.033(3) Uani d 1 . .
H H32 0.460880 0.130949 0.429288 0.039 Uiso calc 1 . .
C C33 0.4786(3) 0.2094(6) 0.4073(4) 0.031(3) Uani d 1 . .
H H33 0.488986 0.189617 0.385555 0.037 Uiso calc 1 . .
C C34 0.4808(3) 0.2727(6) 0.4122(4) 0.030(3) Uani d 1 . .
H H34 0.492352 0.296213 0.393675 0.036 Uiso calc 1 . .
C C35 0.4659(3) 0.3024(5) 0.4444(4) 0.024(2) Uani d 1 . .
C C36 0.4645(3) 0.3702(5) 0.4548(4) 0.028(2) Uani d 1 . .
C C37 0.4775(3) 0.3258(5) 0.7796(4) 0.023(2) Uani d 1 . .
C C38 0.5062(3) 0.3675(5) 0.7951(4) 0.024(3) Uani d 1 . .
H H38 0.501422 0.410380 0.789104 0.029 Uiso calc 1 . .
C C39 0.5422(3) 0.3485(5) 0.8195(4) 0.027(3) Uani d 1 . .
C C40 0.5496(3) 0.2858(6) 0.8324(4) 0.032(3) Uani d 1 . .
C C41 0.5223(3) 0.2417(5) 0.8182(4) 0.026(3) Uani d 1 . .
H H41 0.527385 0.199251 0.825901 0.031 Uiso calc 1 . .
C C42 0.4867(3) 0.2619(5) 0.7919(4) 0.024(2) Uani d 1 . .
C C43 0.4565(3) 0.2191(5) 0.7741(4) 0.025(3) Uani d 1 . .
C C44 0.4576(3) 0.1557(5) 0.7816(4) 0.032(3) Uani d 1 . .
H H44 0.479939 0.136736 0.799669 0.039 Uiso calc 1 . .
C C45 0.4273(3) 0.1200(6) 0.7635(4) 0.035(3) Uani d 1 . .
H H45 0.428322 0.076415 0.768276 0.042 Uiso calc 1 . .
C C46 0.3947(3) 0.1492(6) 0.7380(4) 0.035(3) Uani d 1 . .
C C47 0.3936(3) 0.2125(5) 0.7302(4) 0.028(3) Uani d 1 . .
H H47 0.371445 0.232429 0.712609 0.033 Uiso calc 1 . .
C C48 0.5759(3) 0.3822(5) 0.8353(4) 0.031(3) Uani d 1 . .
C C49 0.5827(3) 0.4438(6) 0.8293(4) 0.034(3) Uani d 1 . .
H H49 0.563422 0.471465 0.814045 0.041 Uiso calc 1 . .
C C50 0.6191(3) 0.4650(6) 0.8465(5) 0.055(4) Uani d 1 . .
H H50 0.624485 0.507184 0.842608 0.066 Uiso calc 1 . .
C C51 0.6465(4) 0.4239(6) 0.8689(6) 0.060(4) Uani d 1 . .
H H51 0.670914 0.437927 0.880239 0.072 Uiso calc 1 . .
C C52 0.6391(4) 0.3629(7) 0.8749(6) 0.063(5) Uani d 1 . .
H H52 0.658272 0.335363 0.890861 0.076 Uiso calc 1 . .
C C53 0.6042(3) 0.3418(6) 0.8581(4) 0.036(3) Uani d 1 . .
C C54 0.5897(3) 0.2771(6) 0.8609(4) 0.040(3) Uani d 1 . .
C C55 0.4075(3) 0.3666(5) 0.7903(4) 0.022(2) Uani d 1 . .
C C56 0.3929(3) 0.3280(5) 0.8201(4) 0.026(3) Uani d 1 . .
H H56 0.395740 0.284313 0.820199 0.032 Uiso calc 1 . .
C C57 0.3743(3) 0.3558(5) 0.8488(4) 0.026(2) Uani d 1 . .
C C58 0.3706(3) 0.4198(5) 0.8511(4) 0.028(3) Uani d 1 . .
C C59 0.3866(3) 0.4582(5) 0.8253(4) 0.028(3) Uani d 1 . .
H H59 0.385557 0.501956 0.828033 0.034 Uiso calc 1 . .
C C60 0.4043(3) 0.4309(5) 0.7948(4) 0.021(2) Uani d 1 . .
C C61 0.4215(3) 0.4666(5) 0.7648(4) 0.021(3) Uiso d 1 . .
C C62 0.4264(3) 0.5304(5) 0.7668(4) 0.032(3) Uani d 1 . .
H H62 0.416723 0.554598 0.787151 0.038 Uiso calc 1 . .
C C63 0.4452(3) 0.5591(6) 0.7395(4) 0.043(3) Uani d 1 . .
H H63 0.449153 0.602494 0.741357 0.051 Uiso calc 1 . .
C C64 0.4582(3) 0.5223(6) 0.7093(4) 0.031(3) Uani d 1 . .
C C65 0.4528(3) 0.4596(6) 0.7087(4) 0.029(3) Uani d 1 . .
H H65 0.462556 0.434767 0.688790 0.035 Uiso calc 1 . .
C C66 0.3560(3) 0.3267(5) 0.8805(4) 0.025(2) Uani d 1 . .
C C67 0.3531(3) 0.2654(6) 0.8927(4) 0.035(3) Uani d 1 . .
H H67 0.364012 0.233725 0.879416 0.042 Uiso calc 1 . .
C C68 0.3342(3) 0.2509(6) 0.9242(4) 0.039(3) Uani d 1 . .
H H68 0.332529 0.209112 0.933372 0.047 Uiso calc 1 . .
C C69 0.3175(3) 0.2976(7) 0.9427(5) 0.048(3) Uani d 1 . .
H H69 0.303643 0.287515 0.963388 0.058 Uiso calc 1 . .
C C70 0.3213(3) 0.3579(6) 0.9310(4) 0.036(3) Uani d 1 . .
H H70 0.310604 0.389505 0.944664 0.043 Uiso calc 1 . .
C C71 0.3402(3) 0.3740(5) 0.8999(4) 0.032(3) Uani d 1 . .
C C72 0.3479(3) 0.4374(5) 0.8832(4) 0.035(3) Uani d 1 . .
C C73 0.1960(3) 0.2896(6) 0.5167(4) 0.033(3) Uani d 1 . .
H H73C 0.170150 0.297601 0.498015 0.040 Uiso calc 1 . .
H H73D 0.199420 0.244137 0.518381 0.040 Uiso calc 1 . .
C C74 0.2036(3) 0.3139(7) 0.5688(4) 0.048(4) Uani d 1 . .
H H74C 0.201648 0.359560 0.567557 0.057 Uiso calc 1 . .
H H74D 0.228908 0.303286 0.588354 0.057 Uiso calc 1 . .
C C75 0.1782(4) 0.2884(7) 0.5950(5) 0.072(5) Uani d 1 . .
H H75C 0.181587 0.313572 0.624928 0.086 Uiso calc 1 . .
H H75D 0.152960 0.295194 0.573250 0.086 Uiso calc 1 . .
C C76 0.1817(6) 0.2208(8) 0.6103(9) 0.157(10) Uani d 1 . .
H H76C 0.204210 0.214748 0.638329 0.189 Uiso calc 1 . .
H H76D 0.183170 0.194874 0.582628 0.189 Uiso calc 1 . .
C C77 0.1479(5) 0.2005(10) 0.6255(7) 0.122(8) Uani d 1 . .
H H77C 0.125591 0.206671 0.597138 0.147 Uiso calc 1 . .
H H77D 0.149981 0.155861 0.633496 0.147 Uiso calc 1 . .
C C78 0.1446(7) 0.2367(12) 0.6697(8) 0.198(14) Uani d 1 . .
H H78D 0.123265 0.222216 0.677484 0.297 Uiso calc 1 . .
H H78E 0.166406 0.230056 0.698125 0.297 Uiso calc 1 . .
H H78F 0.142004 0.280890 0.661750 0.297 Uiso calc 1 . .
C C79 0.2109(3) 0.2835(6) 0.4389(4) 0.042(3) Uani d 1 . .
H H79E 0.184288 0.283915 0.422418 0.050 Uiso calc 1 . .
H H79F 0.218372 0.239698 0.445514 0.050 Uiso calc 1 . .
C C80 0.2289(3) 0.3098(6) 0.4034(4) 0.040(3) Uani d 1 . .
H H80E 0.216566 0.348830 0.389450 0.048 Uiso calc 1 . .
H H80F 0.254458 0.319814 0.422036 0.048 Uiso calc 1 . .
C C81 0.2281(4) 0.2663(7) 0.3616(4) 0.052(4) Uani d 1 . .
H H81E 0.240266 0.227244 0.375729 0.063 Uiso calc 1 . .
H H81F 0.202488 0.256419 0.343096 0.063 Uiso calc 1 . .
C C82 0.2460(4) 0.2913(7) 0.3258(4) 0.054(4) Uani d 1 . .
H H82C 0.231280 0.326169 0.307432 0.065 Uiso calc 1 . .
H H82D 0.270162 0.307724 0.344755 0.065 Uiso calc 1 . .
C C83 0.2504(5) 0.2441(9) 0.2894(6) 0.100(7) Uani d 1 . .
H H83C 0.226178 0.228285 0.270012 0.120 Uiso calc 1 . .
H H83D 0.264676 0.208837 0.307788 0.120 Uiso calc 1 . .
C C84 0.2691(6) 0.2685(10) 0.2538(7) 0.144(10) Uani d 1 . .
H H84D 0.270905 0.235213 0.231572 0.216 Uiso calc 1 . .
H H84E 0.254900 0.302725 0.234568 0.216 Uiso calc 1 . .
H H84F 0.293471 0.283240 0.272416 0.216 Uiso calc 1 . .
C C85 0.5027(3) 0.3980(5) 0.4776(3) 0.028(3) Uani d 1 . .
H H85C 0.516771 0.389722 0.455177 0.034 Uiso calc 1 . .
H H85D 0.500227 0.443443 0.479497 0.034 Uiso calc 1 . .
C C86 0.5242(3) 0.3747(5) 0.5280(4) 0.034(3) Uani d 1 . .
H H86C 0.526489 0.329201 0.526450 0.041 Uiso calc 1 . .
H H86D 0.510524 0.383782 0.550800 0.041 Uiso calc 1 . .
C C87 0.5618(3) 0.4023(6) 0.5489(4) 0.038(3) Uani d 1 . .
H H87C 0.559815 0.447867 0.546091 0.046 Uiso calc 1 . .
H H87D 0.576577 0.388285 0.528610 0.046 Uiso calc 1 . .
C C88 0.5818(3) 0.3856(6) 0.6025(4) 0.050(4) Uani d 1 . .
H H88C 0.584510 0.340033 0.605265 0.059 Uiso calc 1 . .
H H88D 0.606497 0.403643 0.612178 0.059 Uiso calc 1 . .
C C89 0.5631(3) 0.4078(7) 0.6384(4) 0.054(4) Uani d 1 . .
H H89C 0.539562 0.386184 0.631107 0.065 Uiso calc 1 . .
H H89D 0.558119 0.452599 0.633319 0.065 Uiso calc 1 . .
C C90 0.5855(4) 0.3965(8) 0.6920(4) 0.094(6) Uani d 1 . .
H H90D 0.572168 0.411654 0.713345 0.142 Uiso calc 1 . .
H H90E 0.590105 0.352071 0.697517 0.142 Uiso calc 1 . .
H H90F 0.608673 0.418522 0.699730 0.142 Uiso calc 1 . .
C C91 0.4428(3) 0.4065(5) 0.4086(4) 0.029(3) Uani d 1 . .
H H91C 0.442119 0.450476 0.417804 0.035 Uiso calc 1 . .
H H91D 0.456025 0.404264 0.384476 0.035 Uiso calc 1 . .
C C92 0.4042(3) 0.3848(5) 0.3836(4) 0.028(3) Uani d 1 . .
H H92C 0.393735 0.371239 0.409003 0.034 Uiso calc 1 . .
H H92D 0.404566 0.348629 0.362656 0.034 Uiso calc 1 . .
C C93 0.3797(3) 0.4353(6) 0.3517(4) 0.036(3) Uani d 1 . .
H H93C 0.379264 0.471119 0.372911 0.043 Uiso calc 1 . .
H H93D 0.390644 0.449337 0.326877 0.043 Uiso calc 1 . .
C C94 0.3420(3) 0.4155(6) 0.3261(4) 0.044(3) Uani d 1 . .
H H94C 0.331507 0.397733 0.350161 0.053 Uiso calc 1 . .
H H94D 0.341898 0.383016 0.301769 0.053 Uiso calc 1 . .
C C95 0.3189(4) 0.4700(8) 0.2999(6) 0.084(6) Uani d 1 . .
H H95C 0.328718 0.485478 0.274350 0.101 Uiso calc 1 . .
H H95D 0.321233 0.503772 0.323999 0.101 Uiso calc 1 . .
C C96 0.2786(4) 0.4556(9) 0.2756(6) 0.109(7) Uani d 1 . .
H H96D 0.265883 0.493027 0.259785 0.163 Uiso calc 1 . .
H H96E 0.275786 0.423128 0.250898 0.163 Uiso calc 1 . .
H H96F 0.268285 0.441462 0.300652 0.163 Uiso calc 1 . .
C C97 0.6066(4) 0.2289(6) 0.8358(4) 0.055(4) Uani d 1 . .
H H97C 0.632833 0.226021 0.854616 0.067 Uiso calc 1 . .
H H97D 0.595695 0.188182 0.838195 0.067 Uiso calc 1 . .
C C98 0.6027(3) 0.2405(6) 0.7820(5) 0.056(4) Uani d 1 . .
H H98C 0.610266 0.283276 0.777728 0.067 Uiso calc 1 . .
H H98D 0.577021 0.235324 0.761252 0.067 Uiso calc 1 . .
C C99 0.6267(4) 0.1938(7) 0.7668(5) 0.082(5) Uani d 1 . .
H H99C 0.652385 0.202749 0.785456 0.099 Uiso calc 1 . .
H H99D 0.621149 0.151795 0.776016 0.099 Uiso calc 1 . .
C C100 0.6220(5) 0.1945(8) 0.7137(5) 0.097(6) Uani d 1 . .
H H10C 0.627966 0.236303 0.704412 0.116 Uiso calc 0.33 A 2
H H10D 0.596320 0.185974 0.694858 0.116 Uiso calc 0.33 A 2
H H10A 0.622913 0.237833 0.702924 0.116 Uiso calc 0.67 B 1
H H10B 0.597879 0.177499 0.695209 0.116 Uiso calc 0.67 B 1
C C103 0.5956(4) 0.2555(6) 0.9141(4) 0.052(4) Uani d 1 . .
H H10E 0.583165 0.215212 0.912559 0.063 Uiso calc 1 . .
H H10F 0.621831 0.248223 0.930167 0.063 Uiso calc 1 . .
C C104 0.5826(3) 0.2984(6) 0.9466(4) 0.046(4) Uani d 1 . .
H H10G 0.558503 0.314314 0.926592 0.056 Uiso calc 0.67 C 1
H H10H 0.599279 0.334293 0.954575 0.056 Uiso calc 0.67 C 1
H H10I 0.555942 0.303870 0.934343 0.056 Uiso calc 0.33 D 2
H H10J 0.594617 0.339326 0.950407 0.056 Uiso calc 0.33 D 2
C C109 0.3133(3) 0.4708(6) 0.8524(4) 0.042(3) Uani d 1 . .
H H10K 0.298911 0.481493 0.873958 0.050 Uiso calc 1 . .
H H10L 0.320306 0.510050 0.840095 0.050 Uiso calc 1 . .
C C110 0.2896(3) 0.4341(6) 0.8089(4) 0.061(4) Uani d 1 . .
H H11A 0.280861 0.396325 0.821047 0.073 Uiso calc 1 . .
H H11B 0.304155 0.421086 0.788155 0.073 Uiso calc 1 . .
C C111 0.2567(4) 0.4718(8) 0.7776(6) 0.118(8) Uani d 1 . .
H H11C 0.245933 0.492981 0.800012 0.142 Uiso calc 1 . .
H H11D 0.265614 0.504174 0.759984 0.142 Uiso calc 1 . .
C C112 0.2267(6) 0.4354(13) 0.7397(8) 0.210(13) Uani d 1 . .
H H11E 0.205597 0.462628 0.724495 0.252 Uiso calc 1 . .
H H11F 0.218583 0.400530 0.755902 0.252 Uiso calc 1 . .
C C113 0.2417(6) 0.4106(12) 0.7000(9) 0.230(13) Uani d 1 . .
H H11G 0.223062 0.383475 0.677653 0.275 Uiso calc 1 . .
H H11H 0.263079 0.384456 0.716279 0.275 Uiso calc 1 . .
C C114 0.2530(7) 0.4593(14) 0.6684(11) 0.291(16) Uani d 1 . .
H H11I 0.262070 0.438292 0.644490 0.437 Uiso calc 1 . .
H H11J 0.231935 0.484719 0.650897 0.437 Uiso calc 1 . .
H H11K 0.272089 0.485704 0.689657 0.437 Uiso calc 1 . .
C C115 0.3677(3) 0.4801(5) 0.9259(4) 0.037(3) Uani d 1 . .
H H11L 0.373074 0.519351 0.911854 0.045 Uiso calc 1 . .
H H11M 0.350874 0.490022 0.944233 0.045 Uiso calc 1 . .
C C116 0.4026(3) 0.4568(5) 0.9622(4) 0.036(3) Uani d 1 . .
H H11N 0.397506 0.417836 0.976914 0.043 Uiso calc 1 . .
H H11O 0.419741 0.446949 0.944320 0.043 Uiso calc 1 . .
C C117 0.4207(3) 0.5014(6) 1.0031(4) 0.048(4) Uani d 1 . .
H H11P 0.404597 0.507529 1.023229 0.058 Uiso calc 1 . .
H H11Q 0.423133 0.541867 0.988341 0.058 Uiso calc 1 . .
C C118 0.4577(3) 0.4818(5) 1.0367(4) 0.038(3) Uani d 1 . .
H H11R 0.473739 0.474366 1.016740 0.046 Uiso calc 1 . .
H H11S 0.455283 0.442278 1.052824 0.046 Uiso calc 1 . .
C C119 0.4751(3) 0.5294(6) 1.0758(4) 0.057(4) Uani d 1 . .
H H11T 0.474975 0.569891 1.059664 0.068 Uiso calc 1 . .
H H11U 0.460067 0.533681 1.097612 0.068 Uiso calc 1 . .
C C120 0.5134(3) 0.5145(6) 1.1069(4) 0.055(4) Uani d 1 . .
H H12A 0.522671 0.547401 1.131227 0.082 Uiso calc 1 . .
H H12B 0.513773 0.475080 1.123905 0.082 Uiso calc 1 . .
H H12C 0.528705 0.511351 1.085893 0.082 Uiso calc 1 . .
C C121 0.4607(3) 0.1149(6) 0.6556(5) 0.047(3) Uani d 1 . .
H H12D 0.461178 0.137570 0.685346 0.071 Uiso calc 1 . .
H H12E 0.468319 0.142498 0.633721 0.071 Uiso calc 1 . .
H H12F 0.477357 0.079633 0.664707 0.071 Uiso calc 1 . .
C C122 0.3334(3) 0.5470(6) 0.6746(5) 0.049(4) Uani d 1 . .
H H12G 0.348528 0.522124 0.702108 0.074 Uiso calc 1 . .
H H12H 0.314619 0.520684 0.652488 0.074 Uiso calc 1 . .
H H12I 0.321831 0.580353 0.687276 0.074 Uiso calc 1 . .
C C123 0.3310(4) 0.1408(7) 0.6956(5) 0.056(4) Uani d 1 . .
H H12J 0.324223 0.166598 0.719353 0.083 Uiso calc 1 . .
H H12K 0.312306 0.109282 0.682379 0.083 Uiso calc 1 . .
H H12L 0.333081 0.166817 0.668770 0.083 Uiso calc 1 . .
C C124 0.4945(4) 0.5122(6) 0.6565(4) 0.049(4) Uani d 1 . .
H H12M 0.511817 0.484933 0.679973 0.074 Uiso calc 1 . .
H H12N 0.507490 0.538027 0.639688 0.074 Uiso calc 1 . .
H H12O 0.476363 0.487119 0.632333 0.074 Uiso calc 1 . .
C C101 0.6512(7) 0.1569(16) 0.7016(10) 0.083(7) Uiso d 0.67 E 1
H H10M 0.674900 0.177415 0.716952 0.099 Uiso calc 0.67 E 1
H H10N 0.652503 0.115522 0.716800 0.099 Uiso calc 0.67 E 1
C C102 0.6455(8) 0.1487(13) 0.6477(8) 0.107(11) Uani d 0.67 E 1
H H10O 0.665416 0.124107 0.643460 0.161 Uiso calc 0.67 E 1
H H10P 0.622452 0.127252 0.632116 0.161 Uiso calc 0.67 E 1
H H10Q 0.644899 0.189286 0.632269 0.161 Uiso calc 0.67 E 1
C C105 0.5792(6) 0.2745(9) 0.9948(6) 0.052(6) Uani d 0.67 F 1
H H10R 0.603385 0.260907 1.016175 0.062 Uiso calc 0.67 F 1
H H10S 0.563124 0.237767 0.987618 0.062 Uiso calc 0.67 F 1
C C106 0.5642(8) 0.3214(8) 1.0229(7) 0.050(6) Uani d 0.67 F 1
H H10T 0.541035 0.337942 1.000563 0.060 Uiso calc 0.67 F 1
H H10U 0.581436 0.356353 1.032884 0.060 Uiso calc 0.67 F 1
C C107 0.5576(8) 0.2953(10) 1.0688(8) 0.100(11) Uani d 0.67 F 1
H H10V 0.580955 0.281672 1.092523 0.120 Uiso calc 0.67 F 1
H H10W 0.541539 0.258726 1.059487 0.120 Uiso calc 0.67 F 1
C C108 0.5401(8) 0.3432(13) 1.0936(10) 0.101(9) Uiso d 0.67 F 1
H H10X 0.536352 0.324727 1.122721 0.151 Uiso calc 0.67 F 1
H H10Y 0.556119 0.379209 1.103523 0.151 Uiso calc 0.67 F 1
H H 0.516712 0.356269 1.070495 0.151 Uiso calc 0.67 F 1
C C10A 0.5952(14) 0.260(2) 0.9941(11) 0.055(16) Uiso d 0.33 F 2
H H10Z 0.583319 0.219343 0.988111 0.066 Uiso calc 0.33 F 2
H HA 0.621712 0.253841 1.003701 0.066 Uiso calc 0.33 F 2
C C10B 0.5864(10) 0.292(3) 1.0362(16) 0.075(17) Uiso d 0.33 F 2
H H10 0.601464 0.329661 1.045261 0.090 Uiso calc 0.33 F 2
H HB 0.593842 0.263848 1.064987 0.090 Uiso calc 0.33 F 2
C C10C 0.5466(10) 0.310(2) 1.0268(17) 0.052(15) Uiso d 0.33 F 2
H H7 0.539043 0.334868 0.996126 0.062 Uiso calc 0.33 F 2
H HC 0.532278 0.271614 1.019867 0.062 Uiso calc 0.33 F 2
C C10D 0.5346(17) 0.346(3) 1.0646(19) 0.101(9) Uiso d 0.33 F 2
H H12 0.508353 0.353388 1.051711 0.151 Uiso calc 0.33 F 2
H HD 0.540420 0.322377 1.095181 0.151 Uiso calc 0.33 F 2
H HE 0.547237 0.386121 1.071257 0.151 Uiso calc 0.33 F 2
C C125 0.6868(12) 0.145(3) 0.714(2) 0.10(2) Uiso d 0.33 E 2
H H12P 0.694063 0.108423 0.699209 0.155 Uiso calc 0.33 E 2
H H12Q 0.695513 0.182350 0.702221 0.155 Uiso calc 0.33 E 2
H H12R 0.697399 0.142506 0.749889 0.155 Uiso calc 0.33 E 2
C C126 0.6460(13) 0.147(3) 0.700(2) 0.083(7) Uiso d 0.33 E 2
H H12S 0.639028 0.106706 0.710476 0.099 Uiso calc 0.33 E 2
H H12T 0.637166 0.146041 0.663417 0.099 Uiso calc 0.33 E 2
Ir Ir3 0.09363(2) 0.64428(3) 0.16694(2) 0.04359(17) Uani d 1 . .
Ir Ir4 0.13022(2) 0.60856(3) 0.28941(2) 0.04372(17) Uani d 1 . .
O O1' 0.2040(4) 0.6189(11) 0.2151(6) 0.212(10) Uani d 1 . .
O O2' 0.0184(3) 0.6253(6) 0.2385(4) 0.098(4) Uani d 1 . .
O O3' 0.0587(3) 0.3980(5) 0.1665(4) 0.073(3) Uani d 1 . .
O O4' 0.1683(3) 0.8598(6) 0.2213(4) 0.097(4) Uani d 1 . .
O O5' 0.1744(3) 0.3953(6) 0.2268(4) 0.088(4) Uani d 1 . .
O O6' 0.0751(3) 0.8402(5) 0.2827(4) 0.081(4) Uani d 1 . .
N N01' 0.1484(3) 0.6288(5) 0.2228(3) 0.042(3) Uani d 1 . .
N N1' 0.0876(3) 0.5542(5) 0.1441(3) 0.043(3) Uani d 1 . .
N N2' 0.0994(3) 0.7329(6) 0.1783(3) 0.054(3) Uani d 1 . .
N N02' 0.0771(3) 0.6190(5) 0.2328(3) 0.043(3) Uani d 1 . .
N N3' 0.1339(3) 0.5140(5) 0.2814(4) 0.048(3) Uani d 1 . .
N N4' 0.1317(3) 0.6942(5) 0.3046(3) 0.046(2) Uani d 1 . .
C C01' 0.1748(4) 0.6244(9) 0.2196(6) 0.084(6) Uani d 1 . .
C C1' 0.1104(3) 0.6535(6) 0.1081(4) 0.041(3) Uani d 1 . .
C C02' 0.0479(4) 0.6216(8) 0.2351(5) 0.065(5) Uani d 1 . .
C C2' 0.1221(3) 0.7059(6) 0.0894(4) 0.040(3) Uani d 1 . .
H H2' 0.121706 0.744816 0.104569 0.048 Uiso calc 1 . .
C C3' 0.1340(3) 0.7028(6) 0.0502(4) 0.038(3) Uani d 1 . .
C C4' 0.1372(4) 0.6457(7) 0.0292(5) 0.052(4) Uani d 1 . .
C C5' 0.1262(4) 0.5920(6) 0.0456(4) 0.050(4) Uani d 1 . .
H H5' 0.126855 0.553599 0.029785 0.060 Uiso calc 1 . .
C C6' 0.1138(3) 0.5954(6) 0.0869(5) 0.043(3) Uani d 1 . .
C C7' 0.1005(3) 0.5421(6) 0.1062(4) 0.041(3) Uani d 1 . .
C C8' 0.0984(4) 0.4825(7) 0.0881(5) 0.057(4) Uani d 1 . .
H H8' 0.106535 0.474131 0.060931 0.068 Uiso calc 1 . .
C C9' 0.0847(4) 0.4351(7) 0.1086(5) 0.058(4) Uani d 1 . .
H H9' 0.084220 0.393902 0.096907 0.070 Uiso calc 1 . .
C C10' 0.0715(4) 0.4489(7) 0.1474(5) 0.056(4) Uani d 1 . .
C C11' 0.0739(3) 0.5091(7) 0.1645(4) 0.050(4) Uani d 1 . .
H H11' 0.065695 0.518575 0.191378 0.060 Uiso calc 1 . .
C C12' 0.1474(3) 0.7518(6) 0.0250(4) 0.038(3) Uani d 1 . .
C C13' 0.1492(3) 0.8147(6) 0.0308(4) 0.043(3) Uani d 1 . .
H H13' 0.143303 0.833652 0.057058 0.052 Uiso calc 1 . .
C C14' 0.1601(3) 0.8510(7) -0.0026(4) 0.044(3) Uani d 1 . .
H H14' 0.159504 0.894812 -0.000737 0.053 Uiso calc 1 . .
C C15' 0.1716(4) 0.8237(7) -0.0377(5) 0.058(4) Uani d 1 . .
H H15' 0.182010 0.848220 -0.057085 0.070 Uiso calc 1 . .
C C16' 0.1682(4) 0.7618(7) -0.0452(5) 0.055(4) Uani d 1 . .
H H16' 0.173045 0.744094 -0.072676 0.066 Uiso calc 1 . .
C C17' 0.1577(4) 0.7241(7) -0.0132(5) 0.050(4) Uani d 1 . .
C C18' 0.1512(4) 0.6538(7) -0.0148(5) 0.055(3) Uani d 1 . .
C C19' 0.0431(3) 0.6709(6) 0.1287(4) 0.036(3) Uiso d 1 . .
C C20' 0.0135(4) 0.6339(6) 0.1067(4) 0.043(3) Uani d 1 . .
H H20' 0.015730 0.590199 0.105674 0.052 Uiso calc 1 . .
C C21' -0.0204(4) 0.6635(7) 0.0857(5) 0.049(3) Uani d 1 . .
C C22' -0.0257(4) 0.7259(7) 0.0856(5) 0.047(3) Uani d 1 . .
C C23' 0.0046(4) 0.7628(6) 0.1074(5) 0.048(3) Uani d 1 . .
H H23' 0.002183 0.806579 0.107053 0.058 Uiso calc 1 . .
C C24' 0.0384(4) 0.7358(7) 0.1298(4) 0.046(3) Uani d 1 . .
C C25' 0.0707(4) 0.7708(7) 0.1550(5) 0.049(3) Uani d 1 . .
C C26' 0.0727(4) 0.8367(8) 0.1547(5) 0.065(4) Uani d 1 . .
H H26' 0.051592 0.860560 0.139199 0.078 Uiso calc 1 . .
C C27' 0.1067(5) 0.8665(8) 0.1779(5) 0.069(4) Uani d 1 . .
H H27' 0.109255 0.910201 0.178406 0.083 Uiso calc 1 . .
C C28' 0.1359(4) 0.8270(9) 0.2000(5) 0.064(4) Uani d 1 . .
C C29' 0.1319(4) 0.7650(8) 0.2005(5) 0.065(4) Uani d 1 . .
H H29' 0.152711 0.741243 0.217261 0.078 Uiso calc 1 . .
C C30' -0.0558(4) 0.6327(7) 0.0623(5) 0.050(3) Uani d 1 . .
C C31' -0.0676(4) 0.5709(7) 0.0559(5) 0.052(4) Uani d 1 . .
H H31' -0.050438 0.538236 0.065771 0.062 Uiso calc 1 . .
C C32' -0.1037(4) 0.5576(7) 0.0356(5) 0.062(4) Uani d 1 . .
H H32' -0.111650 0.515859 0.033242 0.075 Uiso calc 1 . .
C C33' -0.1283(4) 0.6039(7) 0.0187(6) 0.068(5) Uani d 1 . .
H H33' -0.152979 0.593490 0.002664 0.081 Uiso calc 1 . .
C C34' -0.1184(4) 0.6650(7) 0.0241(5) 0.058(4) Uani d 1 . .
H H34' -0.136183 0.696237 0.011861 0.070 Uiso calc 1 . .
C C35' -0.0828(4) 0.6813(7) 0.0471(5) 0.054(4) Uani d 1 . .
C C36' -0.0652(4) 0.7432(7) 0.0602(5) 0.053(3) Uani d 1 . .
C C37' 0.1097(3) 0.5805(6) 0.3408(4) 0.041(3) Uani d 1 . .
C C38' 0.0962(4) 0.6175(7) 0.3724(4) 0.047(3) Uani d 1 . .
H H38' 0.098965 0.661171 0.373480 0.057 Uiso calc 1 . .
C C39' 0.0790(3) 0.5875(6) 0.4016(4) 0.036(3) Uani d 1 . .
C C40' 0.0744(3) 0.5241(6) 0.4016(4) 0.040(3) Uani d 1 . .
C C41' 0.0883(3) 0.4869(6) 0.3731(5) 0.046(3) Uani d 1 . .
H H41' 0.085680 0.443254 0.373605 0.055 Uiso calc 1 . .
C C42' 0.1066(4) 0.5148(6) 0.3426(5) 0.044(3) Uani d 1 . .
C C43' 0.1226(3) 0.4799(7) 0.3120(4) 0.045(3) Uani d 1 . .
C C44' 0.1285(4) 0.4153(7) 0.3148(5) 0.062(4) Uani d 1 . .
H H44' 0.120651 0.390550 0.336739 0.074 Uiso calc 1 . .
C C45' 0.1461(4) 0.3887(8) 0.2848(6) 0.071(4) Uani d 1 . .
H H45' 0.150110 0.345344 0.285295 0.085 Uiso calc 1 . .
C C46' 0.1577(4) 0.4264(9) 0.2542(6) 0.069(4) Uani d 1 . .
C C47' 0.1511(3) 0.4868(7) 0.2524(5) 0.053(4) Uani d 1 . .
H H47' 0.158646 0.511731 0.230323 0.064 Uiso calc 1 . .
C C48' 0.0619(3) 0.6140(6) 0.4360(5) 0.038(3) Uani d 1 . .
C C49' 0.0622(3) 0.6745(6) 0.4526(4) 0.038(3) Uani d 1 . .
H H49' 0.072829 0.706994 0.439653 0.045 Uiso calc 1 . .
C C50' 0.0460(4) 0.6862(6) 0.4900(5) 0.047(3) Uani d 1 . .
H H50' 0.046531 0.726655 0.503156 0.056 Uiso calc 1 . .
C C51' 0.0302(3) 0.6402(7) 0.5061(5) 0.045(3) Uani d 1 . .
H H51' 0.019064 0.649182 0.530251 0.055 Uiso calc 1 . .
C C52' 0.0290(4) 0.5793(7) 0.4895(5) 0.051(4) Uani d 1 . .
H H52' 0.017332 0.547509 0.501442 0.061 Uiso calc 1 . .
C C53' 0.0457(3) 0.5676(6) 0.4547(5) 0.044(3) Uani d 1 . .
C C54' 0.0515(4) 0.5045(7) 0.4334(5) 0.056(3) Uani d 1 . .
C C55' 0.1810(3) 0.6147(6) 0.3346(4) 0.032(3) Uani d 1 . .
C C56' 0.2065(3) 0.5677(6) 0.3539(4) 0.033(3) Uani d 1 . .
H H56' 0.199440 0.525536 0.348596 0.040 Uiso calc 1 . .
C C57' 0.2419(3) 0.5826(6) 0.3808(4) 0.033(3) Uani d 1 . .
C C58' 0.2535(4) 0.6437(6) 0.3899(4) 0.036(3) Uani d 1 . .
C C59' 0.2285(3) 0.6912(6) 0.3730(4) 0.034(3) Uani d 1 . .
H H59' 0.235776 0.733131 0.379816 0.040 Uiso calc 1 . .
C C60' 0.1925(4) 0.6767(6) 0.3457(4) 0.041(3) Uani d 1 . .
C C61' 0.1635(4) 0.7237(7) 0.3287(4) 0.041(2) Uani d 1 . .
C C62' 0.1677(4) 0.7873(7) 0.3350(5) 0.053(3) Uani d 1 . .
H H62' 0.191123 0.804698 0.349736 0.063 Uiso calc 1 . .
C C63' 0.1370(4) 0.8256(7) 0.3194(4) 0.052(3) Uani d 1 . .
H H63' 0.139532 0.869191 0.323494 0.063 Uiso calc 1 . .
C C64' 0.1051(4) 0.8011(8) 0.2991(5) 0.054(3) Uani d 1 . .
C C65' 0.1021(4) 0.7383(7) 0.2906(5) 0.055(3) Uani d 1 . .
H H65' 0.078498 0.722484 0.274142 0.066 Uiso calc 1 . .
C C66' 0.2727(3) 0.5424(6) 0.4035(4) 0.037(3) Uani d 1 . .
C C67' 0.2754(3) 0.4781(6) 0.4058(4) 0.037(3) Uani d 1 . .
H H67' 0.254728 0.453062 0.390844 0.044 Uiso calc 1 . .
C C68' 0.3084(3) 0.4514(6) 0.4300(4) 0.043(3) Uani d 1 . .
H H68' 0.310106 0.407640 0.432985 0.051 Uiso calc 1 . .
C C69' 0.3392(4) 0.4872(7) 0.4501(5) 0.052(4) Uani d 1 . .
H H69' 0.361923 0.467683 0.465394 0.063 Uiso calc 1 . .
C C70' 0.3372(4) 0.5515(7) 0.4480(5) 0.050(3) Uani d 1 . .
H H70' 0.358217 0.576119 0.462390 0.059 Uiso calc 1 . .
C C71' 0.3040(3) 0.5788(6) 0.4246(5) 0.041(3) Uani d 1 . .
C C72' 0.2942(4) 0.6467(7) 0.4168(5) 0.049(3) Uani d 1 . .
C C73' 0.1214(4) 0.6329(7) -0.0652(5) 0.058(4) Uani d 1 . .
H H73A 0.132400 0.635029 -0.091694 0.070 Uiso calc 1 . .
H H73B 0.114966 0.589199 -0.061993 0.070 Uiso calc 1 . .
C C74' 0.0876(4) 0.6701(7) -0.0803(5) 0.071(4) Uani d 1 . .
H H74A 0.091132 0.704897 -0.100566 0.085 Uiso calc 1 . .
H H74B 0.084606 0.688158 -0.050171 0.085 Uiso calc 1 . .
C C75' 0.0520(5) 0.6383(9) -0.1087(6) 0.102(6) Uani d 1 . .
H H75A 0.033153 0.670464 -0.121181 0.122 Uiso calc 1 . .
H H75B 0.055200 0.617100 -0.137501 0.122 Uiso calc 1 . .
C C76' 0.0386(4) 0.5922(8) -0.0797(6) 0.073(5) Uani d 1 . .
H H76A 0.059662 0.569354 -0.057669 0.088 Uiso calc 1 . .
H H76B 0.022797 0.561957 -0.102629 0.088 Uiso calc 1 . .
C C77' 0.0178(5) 0.6212(9) -0.0492(6) 0.090(6) Uani d 1 . .
H H77A 0.032671 0.654120 -0.028109 0.108 Uiso calc 1 . .
H H77B -0.004689 0.640419 -0.071109 0.108 Uiso calc 1 . .
C C78' 0.0085(4) 0.5737(9) -0.0178(6) 0.099(7) Uani d 1 . .
H H78A -0.005023 0.593208 0.001703 0.148 Uiso calc 1 . .
H H78B -0.006537 0.541521 -0.038757 0.148 Uiso calc 1 . .
H H78C 0.030761 0.555200 0.004172 0.148 Uiso calc 1 . .
C C79' 0.1849(4) 0.6186(8) -0.0091(6) 0.083(5) Uani d 1 . .
H H79C 0.196653 0.638508 -0.030993 0.100 Uiso calc 0.4 G 2
H H79D 0.177281 0.576875 -0.022715 0.100 Uiso calc 0.4 G 2
H H79A 0.190294 0.620036 -0.040406 0.100 Uiso calc 0.6 H 1
H H79B 0.181051 0.574808 -0.002029 0.100 Uiso calc 0.6 H 1
C C81' 0.2500(7) 0.6057(14) 0.0270(11) 0.239(16) Uiso d 1 . .
H H81C 0.253887 0.560375 0.027794 0.287 Uiso calc 0.4 I 2
H H81D 0.268015 0.620849 0.057723 0.287 Uiso calc 0.4 I 2
H H81A 0.241987 0.562203 0.019875 0.287 Uiso calc 0.6 J 1
H H81B 0.268868 0.606034 0.059756 0.287 Uiso calc 0.6 J 1
C C82' 0.2690(8) 0.6260(16) -0.0126(12) 0.268(18) Uiso d 1 . .
H H82A 0.252349 0.612817 -0.044984 0.322 Uiso calc 1 . .
H H82B 0.268856 0.671795 -0.012813 0.322 Uiso calc 1 . .
C C83' 0.3074(7) 0.6066(12) -0.0116(9) 0.175(11) Uiso d 1 . .
H H83A 0.326549 0.626325 0.015908 0.210 Uiso calc 1 . .
H H83B 0.310582 0.561151 -0.009633 0.210 Uiso calc 1 . .
C C84' 0.3071(8) 0.6317(14) -0.0612(10) 0.253(17) Uiso d 1 . .
H H84A 0.330397 0.622668 -0.065928 0.380 Uiso calc 1 . .
H H84B 0.287488 0.612068 -0.087380 0.380 Uiso calc 1 . .
H H84C 0.303290 0.676566 -0.062104 0.380 Uiso calc 1 . .
C C85' -0.0692(4) 0.7833(6) 0.0155(5) 0.056(4) Uani d 1 . .
H H85A -0.056872 0.823201 0.026767 0.067 Uiso calc 1 . .
H H85B -0.095340 0.792287 -0.000479 0.067 Uiso calc 1 . .
C C86' -0.0544(4) 0.7562(7) -0.0232(5) 0.061(4) Uani d 1 . .
H H86A -0.028567 0.745271 -0.006826 0.074 Uiso calc 1 . .
H H86B -0.067557 0.717250 -0.035567 0.074 Uiso calc 1 . .
C C87' -0.0567(4) 0.7969(6) -0.0666(5) 0.051(4) Uani d 1 . .
H H87A -0.082608 0.805658 -0.084347 0.061 Uiso calc 1 . .
H H87B -0.044732 0.836750 -0.054329 0.061 Uiso calc 1 . .
C C88' -0.0399(4) 0.7703(8) -0.1026(5) 0.073(5) Uani d 1 . .
H H88A -0.054685 0.734529 -0.119227 0.087 Uiso calc 1 . .
H H88B -0.015473 0.754637 -0.083979 0.087 Uiso calc 1 . .
C C89' -0.0364(4) 0.8146(7) -0.1416(6) 0.073(5) Uani d 1 . .
H H89A -0.061006 0.826718 -0.162747 0.088 Uiso calc 1 . .
H H89B -0.023902 0.852467 -0.125249 0.088 Uiso calc 1 . .
C C90' -0.0160(5) 0.7889(8) -0.1736(6) 0.098(6) Uani d 1 . .
H H90A -0.014920 0.820166 -0.197798 0.147 Uiso calc 1 . .
H H90B 0.008635 0.777813 -0.153223 0.147 Uiso calc 1 . .
H H90C -0.028529 0.752023 -0.190782 0.147 Uiso calc 1 . .
C C91' -0.0809(4) 0.7770(7) 0.0955(5) 0.064(4) Uani d 1 . .
H H91A -0.067032 0.815671 0.106641 0.076 Uiso calc 1 . .
H H91B -0.106328 0.788664 0.077556 0.076 Uiso calc 1 . .
C C92' -0.0801(5) 0.7393(10) 0.1402(7) 0.118(8) Uani d 1 . .
H H92A -0.092219 0.699342 0.128345 0.142 Uiso calc 1 . .
H H92B -0.054392 0.729899 0.158538 0.142 Uiso calc 1 . .
C C93' -0.0958(6) 0.7639(11) 0.1739(7) 0.129(8) Uani d 1 . .
H H93A -0.120791 0.777119 0.155284 0.155 Uiso calc 1 . .
H H93B -0.082007 0.801447 0.188640 0.155 Uiso calc 1 . .
C C94' -0.0975(8) 0.7226(14) 0.2147(9) 0.172(11) Uani d 1 . .
H H94A -0.101088 0.748268 0.241328 0.207 Uiso calc 1 . .
H H94B -0.074125 0.700604 0.228352 0.207 Uiso calc 1 . .
C C95' -0.1300(8) 0.6722(12) 0.1973(9) 0.165(11) Uani d 1 . .
H H95A -0.152512 0.692104 0.176109 0.198 Uiso calc 1 . .
H H95B -0.123354 0.638729 0.178230 0.198 Uiso calc 1 . .
C C96' -0.1358(7) 0.6456(15) 0.2434(10) 0.247(18) Uani d 1 . .
H H96A -0.155341 0.614920 0.233893 0.370 Uiso calc 1 . .
H H96B -0.113389 0.625924 0.263960 0.370 Uiso calc 1 . .
H H96C -0.142432 0.679089 0.261847 0.370 Uiso calc 1 . .
C C97' 0.0734(4) 0.4608(7) 0.4761(5) 0.058(4) Uani d 1 . .
H H97A 0.057277 0.447664 0.494740 0.069 Uiso calc 1 . .
H H97B 0.080437 0.423299 0.461677 0.069 Uiso calc 1 . .
C C98' 0.1071(4) 0.4896(7) 0.5114(5) 0.056(4) Uani d 1 . .
H H98A 0.100108 0.524470 0.528839 0.067 Uiso calc 1 . .
H H98B 0.122402 0.506311 0.492812 0.067 Uiso calc 1 . .
C C99' 0.1288(5) 0.4422(7) 0.5490(6) 0.084(5) Uani d 1 . .
H H99A 0.112715 0.422571 0.565162 0.101 Uiso calc 1 . .
H H99B 0.137678 0.409408 0.531683 0.101 Uiso calc 1 . .
C C200 0.1607(5) 0.4711(10) 0.5876(6) 0.111(7) Uani d 1 . .
H H20A 0.172863 0.501394 0.572325 0.134 Uiso calc 1 . .
H H20B 0.178543 0.438915 0.604213 0.134 Uiso calc 1 . .
C C201 0.1463(7) 0.5033(11) 0.6245(8) 0.159(10) Uani d 1 . .
H H20C 0.127715 0.533865 0.606795 0.190 Uiso calc 1 . .
H H20D 0.166385 0.526252 0.648233 0.190 Uiso calc 1 . .
C C202 0.1283(8) 0.4561(13) 0.6551(9) 0.220(16) Uani d 1 . .
H H20E 0.119606 0.480016 0.678008 0.329 Uiso calc 1 . .
H H20F 0.107887 0.433944 0.631972 0.329 Uiso calc 1 . .
H H20G 0.146609 0.426321 0.673467 0.329 Uiso calc 1 . .
C C203 0.0151(4) 0.4751(7) 0.4020(5) 0.066(4) Uani d 1 . .
H H20H 0.019640 0.432047 0.393719 0.079 Uiso calc 0.6 K 1
H H20I -0.001396 0.473295 0.421923 0.079 Uiso calc 0.6 K 1
H H20J 0.021755 0.438555 0.385993 0.079 Uiso calc 0.4 L 2
H H20K 0.003966 0.458592 0.425924 0.079 Uiso calc 0.4 L 2
C C206 -0.0490(6) 0.5164(10) 0.2748(6) 0.138(9) Uani d 1 . .
H H20N -0.071651 0.495533 0.274638 0.166 Uiso calc 0.4 M 2
H H20O -0.050645 0.561483 0.279690 0.166 Uiso calc 0.4 M 2
H H20L -0.075823 0.518494 0.263123 0.166 Uiso calc 0.6 N 1
H H20M -0.040177 0.558883 0.284729 0.166 Uiso calc 0.6 N 1
C C207 -0.0378(5) 0.5005(8) 0.2303(6) 0.109(7) Uani d 1 . .
H H20P -0.039181 0.455103 0.225222 0.131 Uiso calc 1 . .
H H20Q -0.012332 0.513365 0.236423 0.131 Uiso calc 1 . .
C C208 -0.0625(6) 0.5329(10) 0.1836(6) 0.165(11) Uani d 1 . .
H H20R -0.054640 0.521824 0.155576 0.247 Uiso calc 1 . .
H H20S -0.087607 0.519596 0.177246 0.247 Uiso calc 1 . .
H H20T -0.060785 0.577799 0.188435 0.247 Uiso calc 1 . .
C C209 0.3024(4) 0.6806(6) 0.4668(4) 0.051(4) Uani d 1 . .
H H20U 0.328834 0.678712 0.483984 0.061 Uiso calc 1 . .
H H20V 0.295841 0.724709 0.459990 0.061 Uiso calc 1 . .
C C210 0.2834(4) 0.6566(7) 0.5013(5) 0.058(4) Uani d 1 . .
H H21A 0.256842 0.657941 0.484329 0.070 Uiso calc 1 . .
H H21B 0.290251 0.612781 0.509073 0.070 Uiso calc 1 . .
C C211 0.2919(4) 0.6921(7) 0.5486(5) 0.069(5) Uani d 1 . .
H H21C 0.279230 0.732454 0.541171 0.083 Uiso calc 0.5 O 1
H H21D 0.318237 0.700890 0.560310 0.083 Uiso calc 0.5 O 1
H H21E 0.291352 0.737063 0.541755 0.083 Uiso calc 0.5 P 2
H H21F 0.316538 0.681306 0.570413 0.083 Uiso calc 0.5 P 2
C C215 0.3146(4) 0.6794(7) 0.3854(5) 0.063(4) Uani d 1 . .
H H21G 0.307904 0.723716 0.382548 0.075 Uiso calc 1 . .
H H21H 0.340979 0.676631 0.402950 0.075 Uiso calc 1 . .
C C216 0.3070(5) 0.6533(9) 0.3346(6) 0.101(7) Uani d 1 . .
H H21I 0.280509 0.655697 0.317435 0.121 Uiso calc 0.5 Q 1
H H21J 0.313707 0.609004 0.337738 0.121 Uiso calc 0.5 Q 1
H H21K 0.284141 0.630336 0.330003 0.121 Uiso calc 0.5 R 2
H H21L 0.325823 0.620917 0.340246 0.121 Uiso calc 0.5 R 2
C C221 0.0431(4) 0.4146(8) 0.2036(6) 0.093(6) Uani d 1 . .
H H22A 0.062546 0.424561 0.234159 0.139 Uiso calc 1 . .
H H22B 0.028835 0.379881 0.209302 0.139 Uiso calc 1 . .
H H22C 0.027395 0.450747 0.192668 0.139 Uiso calc 1 . .
C C222 0.2012(5) 0.8206(10) 0.2354(6) 0.110(7) Uani d 1 . .
H H22D 0.205608 0.804389 0.268603 0.165 Uiso calc 1 . .
H H22E 0.222086 0.845421 0.234623 0.165 Uiso calc 1 . .
H H22F 0.197755 0.786141 0.212170 0.165 Uiso calc 1 . .
C C223 0.1877(5) 0.4334(9) 0.1955(6) 0.097(6) Uani d 1 . .
H H22G 0.205696 0.462526 0.215653 0.146 Uiso calc 1 . .
H H22H 0.167508 0.456423 0.172823 0.146 Uiso calc 1 . .
H H22I 0.198997 0.407212 0.176732 0.146 Uiso calc 1 . .
C C224 0.0389(4) 0.8137(9) 0.2602(6) 0.107(7) Uani d 1 . .
H H22J 0.032774 0.787487 0.284144 0.160 Uiso calc 1 . .
H H22K 0.038591 0.788867 0.231565 0.160 Uiso calc 1 . .
H H22L 0.021072 0.847209 0.249735 0.160 Uiso calc 1 . .
C C21B 0.2822(8) 0.6626(16) 0.5914(10) 0.076(8) Uiso d 0.5 S 1
H H21M 0.292260 0.620143 0.595948 0.091 Uiso calc 0.5 S 1
H H21N 0.295187 0.686058 0.621591 0.091 Uiso calc 0.5 S 1
C C21C 0.2431(9) 0.658(2) 0.5887(15) 0.16(2) Uiso d 0.5 S 1
H H21O 0.229629 0.638052 0.557170 0.188 Uiso calc 0.5 S 1
H H21P 0.233611 0.700859 0.587443 0.188 Uiso calc 0.5 S 1
C C21D 0.2342(9) 0.6237(16) 0.6298(12) 0.086(11) Uiso d 0.5 S 1
H H21Q 0.207896 0.624419 0.623348 0.128 Uiso calc 0.5 S 1
H H21R 0.242432 0.580732 0.630913 0.128 Uiso calc 0.5 S 1
H H21S 0.246432 0.643829 0.661327 0.128 Uiso calc 0.5 S 1
C C80' 0.2166(5) 0.6437(11) 0.0313(8) 0.048(7) Uiso d 0.6 T 1
H H80A 0.213491 0.637174 0.063775 0.058 Uiso calc 0.6 T 1
H H80B 0.219787 0.688451 0.026683 0.058 Uiso calc 0.6 T 1
C C204 -0.0039(6) 0.5106(10) 0.3540(7) 0.062(8) Uiso d 0.7 U 1
H H20W -0.010593 0.552373 0.362262 0.075 Uiso calc 0.7 U 1
H H20X 0.013236 0.515570 0.335337 0.075 Uiso calc 0.7 U 1
C C205 -0.0381(7) 0.4774(13) 0.3217(8) 0.118(11) Uani d 0.7 U 1
H H20Y -0.032699 0.434190 0.314910 0.141 Uiso calc 0.7 U 1
H HF -0.057340 0.477381 0.337199 0.141 Uiso calc 0.7 U 1
C C217 0.3262(11) 0.684(2) 0.3023(11) 0.136(13) Uiso d 0.5 V 1
H H21T 0.351997 0.671619 0.313205 0.163 Uiso calc 0.5 V 1
H H21U 0.325210 0.729772 0.305601 0.163 Uiso calc 0.5 V 1
C C218 0.3081(9) 0.6658(18) 0.2483(12) 0.096(9) Uiso d 0.5 V 1
H H21V 0.301258 0.621700 0.247999 0.116 Uiso calc 0.5 V 1
H H21W 0.326952 0.668372 0.232143 0.116 Uiso calc 0.5 V 1
C C219 0.2745(10) 0.701(2) 0.2150(14) 0.135(12) Uiso d 0.5 V 1
H H21X 0.252287 0.687181 0.221694 0.162 Uiso calc 0.5 V 1
H H21Y 0.277406 0.745799 0.219941 0.162 Uiso calc 0.5 V 1
C C220 0.2731(15) 0.683(3) 0.1636(16) 0.22(2) Uiso d 0.5 V 1
H H22M 0.252310 0.702889 0.139630 0.324 Uiso calc 0.5 V 1
H H22N 0.295517 0.695880 0.158009 0.324 Uiso calc 0.5 V 1
H H22O 0.270579 0.637686 0.159749 0.324 Uiso calc 0.5 V 1
C C20B -0.0156(12) 0.507(2) 0.3623(11) 0.060(18) Uiso d 0.3 U 2
H H20Z -0.012967 0.552024 0.365823 0.072 Uiso calc 0.3 U 2
H HG -0.039164 0.494767 0.365790 0.072 Uiso calc 0.3 U 2
C C20C -0.0145(10) 0.487(2) 0.3112(12) 0.059(15) Uiso d 0.3 U 2
H H20 -0.015117 0.441142 0.307936 0.071 Uiso calc 0.3 U 2
H HH 0.007664 0.502562 0.305446 0.071 Uiso calc 0.3 U 2
C C21E 0.3026(13) 0.6737(18) 0.2821(8) 0.136(13) Uiso d 0.5 V 2
H H21Z 0.326131 0.692338 0.283679 0.163 Uiso calc 0.5 V 2
H HI 0.284892 0.708095 0.275005 0.163 Uiso calc 0.5 V 2
C C21F 0.2912(11) 0.6324(16) 0.2344(12) 0.096(9) Uiso d 0.5 V 2
H H21 0.315575 0.614089 0.240588 0.116 Uiso calc 0.5 V 2
H HJ 0.278450 0.600936 0.247706 0.116 Uiso calc 0.5 V 2
C C21G 0.2762(12) 0.6099(18) 0.1815(11) 0.135(12) Uiso d 0.5 V 2
H H1 0.296352 0.613337 0.167772 0.162 Uiso calc 0.5 V 2
H HK 0.257840 0.640832 0.163852 0.162 Uiso calc 0.5 V 2
C C21H 0.2589(14) 0.547(2) 0.1653(17) 0.22(2) Uiso d 0.5 V 2
H H2 0.251421 0.543513 0.129368 0.324 Uiso calc 0.5 V 2
H HL 0.276532 0.514020 0.180011 0.324 Uiso calc 0.5 V 2
H HM 0.237625 0.541797 0.176051 0.324 Uiso calc 0.5 V 2
C C80B 0.2148(7) 0.609(2) 0.0411(10) 0.098(18) Uiso d 0.4 T 2
H H80C 0.210945 0.570240 0.056942 0.118 Uiso calc 0.4 T 2
H H80D 0.215689 0.644174 0.063516 0.118 Uiso calc 0.4 T 2
C C212 0.2643(8) 0.6770(16) 0.5742(12) 0.076(8) Uiso d 0.5 S 2
H H3 0.239576 0.679526 0.550157 0.091 Uiso calc 0.5 S 2
H HN 0.268245 0.634054 0.586866 0.091 Uiso calc 0.5 S 2
C C213 0.2673(11) 0.7203(18) 0.6159(13) 0.127(16) Uiso d 0.5 S 2
H H4 0.258447 0.761697 0.602594 0.153 Uiso calc 0.5 S 2
H HO 0.293103 0.724428 0.636240 0.153 Uiso calc 0.5 S 2
C C214 0.2455(12) 0.698(2) 0.6483(15) 0.153(19) Uiso d 0.5 S 2
H H5 0.248164 0.727636 0.675050 0.230 Uiso calc 0.5 S 2
H HP 0.219825 0.694687 0.628490 0.230 Uiso calc 0.5 S 2
H HQ 0.254473 0.657426 0.662128 0.230 Uiso calc 0.5 S 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ir1 0.0230(3) 0.0237(3) 0.0155(2) -0.0003(2) 0.00689(18) 0.0022(2)
Ir2 0.0266(3) 0.0262(3) 0.0161(2) -0.0034(2) 0.00675(19) 0.0027(2)
O1 0.036(6) 0.092(9) 0.088(8) 0.000(6) 0.028(6) -0.004(7)
O2 0.039(4) 0.31(2) 0.086(9) 0.001(6) 0.041(5) 0.028(11)
O3 0.044(5) 0.029(5) 0.049(6) 0.017(4) 0.021(4) 0.016(4)
O4 0.049(6) 0.032(5) 0.051(6) 0.000(4) 0.025(4) -0.009(4)
O5 0.049(5) 0.035(5) 0.041(5) -0.021(4) 0.022(4) -0.005(4)
O6 0.054(6) 0.048(6) 0.034(5) -0.014(5) 0.019(4) 0.001(4)
N1 0.034(5) 0.012(5) 0.018(5) 0.000(4) 0.012(4) 0.004(4)
N01 0.0230(3) 0.0237(3) 0.0155(2) -0.0003(2) 0.00689(18) 0.0022(2)
N02 0.0230(3) 0.0237(3) 0.0155(2) -0.0003(2) 0.00689(18) 0.0022(2)
N2 0.026(6) 0.018(5) 0.018(5) -0.004(4) 0.003(4) -0.004(4)
N4 0.019(6) 0.037(6) 0.024(5) -0.005(4) 0.007(4) 0.001(4)
C01 0.028(6) 0.071(9) 0.006(6) -0.020(5) 0.003(5) -0.001(6)
C02 0.028(3) 0.096(12) 0.030(7) -0.010(4) 0.015(4) -0.005(8)
C2 0.020(6) 0.039(8) 0.021(6) 0.000(5) 0.007(4) 0.007(5)
C3 0.018(5) 0.033(6) 0.018(6) -0.001(4) 0.003(4) 0.002(5)
C4 0.025(5) 0.031(5) 0.021(6) -0.002(4) 0.009(4) 0.002(5)
C5 0.028(6) 0.028(6) 0.031(7) -0.008(5) 0.004(5) 0.000(5)
C6 0.029(6) 0.021(6) 0.019(6) -0.003(5) 0.009(4) -0.004(5)
C7 0.031(6) 0.023(5) 0.032(7) 0.005(4) 0.019(5) 0.006(5)
C8 0.036(7) 0.030(5) 0.019(6) -0.006(5) 0.004(5) -0.007(5)
C9 0.053(7) 0.029(7) 0.021(6) 0.002(5) 0.013(5) 0.005(5)
C10 0.052(7) 0.014(5) 0.025(7) 0.010(5) 0.015(5) 0.006(5)
C11 0.030(7) 0.021(5) 0.028(6) 0.001(4) 0.017(5) 0.008(5)
C12 0.021(6) 0.035(5) 0.028(6) 0.003(4) 0.007(5) 0.003(5)
C13 0.025(6) 0.037(6) 0.030(7) 0.006(5) 0.006(5) -0.001(5)
C14 0.026(7) 0.046(8) 0.043(8) 0.012(5) 0.013(5) 0.015(6)
C15 0.032(7) 0.061(7) 0.031(7) 0.009(6) 0.002(5) 0.002(6)
C16 0.017(6) 0.058(7) 0.034(7) 0.004(5) 0.007(5) -0.010(6)
C17 0.021(6) 0.041(6) 0.025(6) 0.002(4) 0.007(4) -0.002(5)
C18 0.020(6) 0.042(6) 0.037(6) -0.002(5) 0.010(5) 0.000(5)
C19 0.018(6) 0.023(5) 0.026(6) 0.003(5) 0.009(4) 0.005(5)
C20 0.028(7) 0.024(6) 0.016(6) 0.002(5) 0.008(5) 0.004(5)
C21 0.030(7) 0.026(5) 0.016(6) 0.003(5) 0.007(5) -0.002(5)
C22 0.036(7) 0.026(5) 0.015(6) -0.008(5) 0.011(5) 0.000(4)
C23 0.023(7) 0.012(5) 0.028(6) -0.007(5) 0.008(5) -0.001(4)
C24 0.025(7) 0.024(5) 0.016(6) 0.002(5) 0.004(4) 0.000(4)
C25 0.041(8) 0.027(5) 0.023(6) -0.007(5) 0.015(5) -0.007(5)
C26 0.044(8) 0.023(5) 0.025(7) -0.004(5) 0.014(5) -0.004(5)
C27 0.042(8) 0.015(6) 0.038(7) -0.004(5) 0.013(5) -0.009(5)
C28 0.036(8) 0.030(6) 0.031(7) -0.009(5) 0.012(5) -0.012(5)
C29 0.024(7) 0.029(5) 0.024(6) -0.009(5) 0.007(5) -0.008(5)
C30 0.029(7) 0.031(5) 0.026(6) -0.001(5) 0.015(5) -0.001(5)
C31 0.044(8) 0.030(6) 0.019(6) -0.003(6) 0.013(5) 0.004(5)
C32 0.049(8) 0.031(7) 0.021(6) -0.006(6) 0.017(5) -0.007(5)
C33 0.037(8) 0.042(6) 0.018(6) 0.002(6) 0.015(5) 0.001(5)
C34 0.028(7) 0.040(6) 0.023(6) -0.009(6) 0.011(5) -0.009(5)
C35 0.026(7) 0.032(5) 0.008(5) 0.001(5) -0.001(4) 0.002(4)
C36 0.030(6) 0.032(6) 0.022(6) -0.004(5) 0.011(4) -0.006(5)
C37 0.028(6) 0.029(6) 0.014(5) 0.002(4) 0.008(4) -0.003(4)
C38 0.031(6) 0.019(6) 0.019(6) 0.003(4) 0.003(5) -0.005(5)
C39 0.027(5) 0.025(6) 0.025(6) 0.000(4) 0.004(4) -0.003(5)
C40 0.032(6) 0.031(6) 0.031(7) -0.002(4) 0.006(5) 0.004(5)
C41 0.032(6) 0.018(6) 0.030(7) 0.001(4) 0.014(5) 0.004(5)
C42 0.028(6) 0.030(5) 0.021(6) 0.000(4) 0.017(4) 0.002(5)
C43 0.033(7) 0.026(5) 0.021(6) -0.001(5) 0.014(5) -0.011(5)
C44 0.039(7) 0.030(6) 0.032(7) 0.002(5) 0.017(5) -0.004(6)
C45 0.052(7) 0.021(7) 0.044(8) -0.007(5) 0.031(6) 0.003(5)
C46 0.045(6) 0.036(6) 0.033(7) -0.016(5) 0.025(5) -0.006(5)
C47 0.030(8) 0.037(6) 0.019(6) -0.007(5) 0.012(5) -0.001(5)
C48 0.027(6) 0.030(6) 0.039(7) -0.002(4) 0.015(5) -0.002(5)
C49 0.037(7) 0.031(6) 0.030(7) -0.005(5) 0.003(5) 0.000(6)
C50 0.033(7) 0.022(7) 0.093(11) -0.009(5) -0.002(7) -0.012(7)
C51 0.030(8) 0.039(7) 0.101(12) -0.006(6) 0.007(7) -0.004(8)
C52 0.022(7) 0.040(7) 0.120(14) 0.005(6) 0.015(7) 0.001(8)
C53 0.023(5) 0.040(6) 0.041(7) -0.002(5) 0.005(5) -0.006(6)
C54 0.027(6) 0.038(6) 0.050(7) 0.009(5) 0.005(5) 0.005(6)
C55 0.023(7) 0.019(5) 0.022(6) -0.004(5) 0.004(5) 0.002(4)
C56 0.029(7) 0.025(6) 0.021(6) -0.003(5) 0.003(5) 0.004(5)
C57 0.023(7) 0.029(5) 0.024(6) -0.003(5) 0.006(5) 0.000(5)
C58 0.035(7) 0.026(5) 0.020(6) -0.010(5) 0.007(5) -0.005(5)
C59 0.038(8) 0.019(6) 0.028(7) -0.007(5) 0.012(5) -0.003(5)
C60 0.028(7) 0.022(5) 0.012(6) -0.002(5) 0.004(4) 0.006(5)
C62 0.032(8) 0.034(8) 0.027(7) 0.001(6) 0.008(5) -0.011(6)
C63 0.046(9) 0.042(8) 0.041(8) -0.004(7) 0.015(6) -0.003(6)
C64 0.036(8) 0.036(6) 0.022(6) -0.008(6) 0.010(5) 0.007(5)
C65 0.023(7) 0.039(6) 0.028(7) -0.002(5) 0.010(5) 0.001(5)
C66 0.027(7) 0.032(5) 0.011(5) -0.001(5) 0.001(4) -0.001(4)
C67 0.039(8) 0.035(6) 0.033(7) 0.010(6) 0.016(6) 0.008(6)
C68 0.037(8) 0.043(7) 0.040(8) -0.001(6) 0.015(6) 0.011(6)
C69 0.038(9) 0.062(8) 0.052(9) -0.009(7) 0.027(7) 0.001(7)
C70 0.045(8) 0.039(7) 0.026(7) -0.011(6) 0.015(6) -0.017(5)
C71 0.045(8) 0.038(6) 0.013(6) -0.013(5) 0.011(5) -0.010(5)
C72 0.049(7) 0.033(6) 0.024(6) -0.003(5) 0.015(4) -0.007(5)
C73 0.015(6) 0.041(8) 0.042(6) -0.008(6) 0.007(5) 0.008(6)
C74 0.035(8) 0.073(10) 0.035(7) 0.008(7) 0.011(6) 0.009(6)
C75 0.069(12) 0.100(12) 0.055(10) -0.017(10) 0.032(8) -0.004(9)
C76 0.19(2) 0.089(14) 0.24(3) -0.046(16) 0.14(2) -0.006(16)
C77 0.089(16) 0.16(2) 0.106(16) -0.038(14) 0.011(12) 0.038(14)
C78 0.27(3) 0.25(3) 0.12(2) 0.07(3) 0.12(2) 0.072(19)
C79 0.043(9) 0.046(8) 0.032(6) 0.001(7) 0.007(5) 0.000(5)
C80 0.029(8) 0.061(9) 0.021(6) 0.005(7) -0.002(5) -0.004(6)
C81 0.050(10) 0.068(10) 0.033(7) 0.002(8) 0.005(6) -0.008(6)
C82 0.058(10) 0.073(11) 0.029(7) 0.005(8) 0.011(6) -0.005(7)
C83 0.107(16) 0.121(16) 0.092(14) -0.053(13) 0.061(11) -0.062(11)
C84 0.17(2) 0.16(2) 0.15(2) -0.073(18) 0.124(18) -0.070(16)
C85 0.038(6) 0.026(7) 0.025(6) -0.009(5) 0.018(4) 0.000(5)
C86 0.047(7) 0.020(7) 0.032(6) -0.005(5) 0.009(5) 0.000(5)
C87 0.042(7) 0.043(8) 0.029(6) -0.005(6) 0.011(5) -0.010(6)
C88 0.055(9) 0.046(9) 0.044(7) -0.010(7) 0.011(6) -0.002(7)
C89 0.064(11) 0.060(10) 0.046(7) 0.002(8) 0.025(7) 0.013(7)
C90 0.125(16) 0.109(16) 0.043(8) -0.002(13) 0.017(9) 0.023(10)
C91 0.042(6) 0.022(6) 0.026(6) -0.007(5) 0.014(5) -0.003(5)
C92 0.035(6) 0.026(7) 0.030(7) 0.005(5) 0.019(5) 0.003(5)
C93 0.045(7) 0.039(8) 0.028(7) 0.011(6) 0.021(5) 0.006(5)
C94 0.054(7) 0.060(9) 0.016(6) 0.000(6) 0.006(5) -0.007(6)
C95 0.069(10) 0.116(15) 0.064(11) 0.032(10) 0.016(8) 0.034(10)
C96 0.072(11) 0.124(18) 0.114(16) 0.040(12) 0.008(10) 0.000(13)
C97 0.044(9) 0.044(8) 0.074(8) 0.001(7) 0.013(7) -0.014(7)
C98 0.039(9) 0.054(10) 0.079(8) -0.007(7) 0.025(7) -0.016(8)
C99 0.115(15) 0.051(11) 0.098(11) -0.002(10) 0.058(11) -0.032(10)
C100 0.133(18) 0.085(15) 0.088(11) -0.016(13) 0.058(12) -0.021(11)
C103 0.049(10) 0.051(9) 0.047(7) 0.005(7) 0.002(6) 0.009(6)
C104 0.043(9) 0.055(9) 0.035(7) 0.003(7) 0.002(6) 0.010(6)
C109 0.039(7) 0.045(8) 0.045(8) -0.002(6) 0.019(5) -0.002(6)
C110 0.051(10) 0.068(11) 0.050(9) 0.001(8) -0.001(6) 0.009(7)
C111 0.079(14) 0.128(19) 0.106(15) 0.007(11) -0.027(10) 0.036(12)
C112 0.10(2) 0.38(4) 0.102(17) -0.06(2) -0.031(11) 0.004(18)
C113 0.15(2) 0.36(3) 0.18(2) -0.18(2) 0.052(18) -0.05(2)
C114 0.22(3) 0.37(4) 0.33(3) -0.21(3) 0.16(3) -0.04(3)
C115 0.054(8) 0.034(7) 0.027(6) 0.003(6) 0.018(5) -0.001(5)
C116 0.049(8) 0.034(8) 0.025(6) -0.006(6) 0.013(5) -0.003(5)
C117 0.061(9) 0.045(9) 0.029(7) -0.001(7) 0.002(5) 0.001(6)
C118 0.050(8) 0.039(8) 0.023(6) -0.015(6) 0.009(5) -0.002(5)
C119 0.058(9) 0.049(9) 0.051(9) -0.016(7) 0.000(6) -0.005(7)
C120 0.053(9) 0.056(10) 0.050(9) -0.021(8) 0.010(6) 0.012(7)
C121 0.050(7) 0.047(9) 0.049(9) 0.014(7) 0.022(6) 0.008(7)
C122 0.041(9) 0.046(9) 0.072(10) -0.005(7) 0.033(7) -0.014(7)
C123 0.050(8) 0.072(11) 0.042(9) -0.024(7) 0.011(6) -0.001(7)
C124 0.078(11) 0.045(9) 0.039(8) -0.015(7) 0.039(7) 0.004(7)
C102 0.14(3) 0.11(3) 0.09(2) 0.05(2) 0.06(2) 0.023(19)
C105 0.043(17) 0.064(15) 0.048(11) -0.010(12) 0.013(10) -0.004(10)
C106 0.076(18) 0.033(13) 0.047(12) -0.026(12) 0.030(12) 0.001(9)
C107 0.22(3) 0.050(17) 0.046(15) -0.018(19) 0.068(18) -0.007(12)
Ir3 0.0371(4) 0.0704(4) 0.0235(3) -0.0001(3) 0.0102(2) 0.0080(3)
Ir4 0.0394(4) 0.0702(4) 0.0224(3) 0.0159(3) 0.0112(2) 0.0049(3)
O1' 0.045(9) 0.47(3) 0.136(14) 0.020(13) 0.052(9) 0.001(17)
O2' 0.036(7) 0.166(13) 0.096(9) -0.004(7) 0.026(6) -0.006(8)
O3' 0.073(8) 0.082(8) 0.063(7) -0.033(6) 0.021(6) 0.015(6)
O4' 0.083(8) 0.146(12) 0.061(8) -0.060(8) 0.021(6) -0.028(7)
O5' 0.081(9) 0.121(10) 0.068(8) 0.032(8) 0.031(6) -0.031(7)
O6' 0.090(7) 0.090(9) 0.074(8) 0.054(7) 0.043(6) 0.034(7)
N01' 0.022(6) 0.084(9) 0.019(5) 0.006(6) 0.004(4) -0.009(5)
N1' 0.041(7) 0.058(7) 0.022(5) -0.011(5) 0.000(4) 0.015(5)
N2' 0.034(6) 0.118(9) 0.014(6) 0.007(5) 0.013(4) -0.002(5)
N02' 0.029(6) 0.083(9) 0.021(5) 0.017(6) 0.013(5) 0.022(5)
N3' 0.045(7) 0.071(7) 0.027(6) 0.018(6) 0.010(5) -0.004(5)
N4' 0.048(4) 0.071(4) 0.026(5) 0.012(3) 0.022(3) 0.026(4)
C01' 0.027(8) 0.161(19) 0.067(11) 0.001(9) 0.020(8) 0.000(11)
C1' 0.039(8) 0.055(7) 0.029(7) 0.010(7) 0.011(6) 0.014(5)
C02' 0.038(8) 0.119(15) 0.038(9) 0.012(9) 0.014(7) 0.014(9)
C2' 0.035(8) 0.054(8) 0.037(7) -0.001(7) 0.018(6) 0.002(6)
C3' 0.038(8) 0.053(7) 0.023(6) 0.001(6) 0.011(5) 0.003(5)
C4' 0.071(10) 0.051(7) 0.039(7) -0.016(7) 0.027(7) -0.004(6)
C5' 0.074(11) 0.049(8) 0.031(7) -0.004(7) 0.023(7) -0.001(6)
C6' 0.047(9) 0.046(7) 0.037(7) -0.004(7) 0.016(6) 0.010(6)
C7' 0.043(8) 0.052(7) 0.021(6) -0.002(6) 0.001(5) 0.020(5)
C8' 0.066(11) 0.047(7) 0.065(10) 0.005(8) 0.032(8) 0.018(7)
C9' 0.051(10) 0.059(9) 0.059(9) -0.006(8) 0.011(7) 0.017(7)
C10' 0.040(9) 0.063(8) 0.060(9) -0.005(7) 0.010(7) 0.024(7)
C11' 0.047(9) 0.072(8) 0.025(7) -0.010(8) 0.003(6) 0.023(6)
C12' 0.038(8) 0.047(6) 0.034(7) 0.002(6) 0.019(6) 0.001(6)
C13' 0.055(9) 0.047(6) 0.035(7) -0.005(7) 0.025(6) -0.004(6)
C14' 0.048(9) 0.057(8) 0.030(7) -0.019(7) 0.014(6) -0.003(6)
C15' 0.066(11) 0.065(8) 0.056(9) -0.039(8) 0.035(8) -0.017(7)
C16' 0.070(11) 0.058(8) 0.048(9) -0.022(8) 0.035(8) -0.009(7)
C17' 0.053(10) 0.059(7) 0.048(8) -0.011(7) 0.034(7) -0.011(6)
C18' 0.079(9) 0.050(7) 0.052(8) -0.006(7) 0.042(6) -0.009(7)
C20' 0.054(8) 0.049(9) 0.030(7) 0.012(7) 0.019(6) 0.000(6)
C21' 0.045(7) 0.052(7) 0.047(8) 0.003(5) 0.013(6) -0.005(7)
C22' 0.048(7) 0.054(7) 0.039(8) 0.004(5) 0.013(6) 0.011(6)
C23' 0.059(7) 0.040(8) 0.044(8) 0.008(6) 0.014(6) -0.005(6)
C24' 0.037(7) 0.081(10) 0.022(7) -0.008(6) 0.014(5) 0.001(6)
C25' 0.050(7) 0.075(8) 0.026(7) -0.014(6) 0.020(5) -0.007(6)
C26' 0.077(10) 0.079(8) 0.039(9) -0.014(8) 0.018(7) -0.006(8)
C27' 0.086(10) 0.068(10) 0.056(10) -0.029(7) 0.025(8) -0.006(8)
C28' 0.063(8) 0.101(10) 0.033(8) -0.023(7) 0.022(7) -0.003(8)
C29' 0.052(9) 0.098(10) 0.047(9) -0.001(8) 0.019(7) -0.002(9)
C30' 0.049(7) 0.051(7) 0.045(8) 0.000(5) 0.009(6) 0.012(7)
C31' 0.057(8) 0.045(7) 0.052(9) 0.008(6) 0.016(7) 0.017(7)
C32' 0.065(9) 0.048(9) 0.066(11) -0.003(7) 0.011(8) 0.013(8)
C33' 0.051(9) 0.054(8) 0.084(12) -0.007(6) 0.001(8) 0.023(8)
C34' 0.040(7) 0.050(7) 0.081(11) 0.009(6) 0.014(7) 0.016(8)
C35' 0.042(7) 0.054(7) 0.066(10) 0.001(5) 0.015(6) 0.011(7)
C36' 0.048(7) 0.046(7) 0.063(9) 0.008(6) 0.017(6) 0.018(6)
C37' 0.037(8) 0.054(7) 0.031(7) 0.012(6) 0.011(5) 0.002(6)
C38' 0.055(10) 0.059(8) 0.032(8) 0.007(7) 0.020(6) 0.003(6)
C39' 0.030(8) 0.045(6) 0.032(7) 0.000(6) 0.008(5) -0.008(6)
C40' 0.046(8) 0.040(6) 0.031(7) -0.006(6) 0.008(6) -0.004(5)
C41' 0.048(9) 0.043(8) 0.040(8) -0.004(7) 0.007(6) -0.010(6)
C42' 0.047(9) 0.052(7) 0.033(7) -0.001(7) 0.012(6) -0.007(6)
C43' 0.038(8) 0.068(8) 0.025(7) 0.022(7) 0.003(5) 0.002(6)
C44' 0.061(11) 0.062(8) 0.060(10) 0.019(8) 0.017(7) -0.014(7)
C45' 0.061(11) 0.081(11) 0.073(12) 0.003(9) 0.025(8) -0.033(8)
C46' 0.051(11) 0.093(10) 0.063(11) 0.027(9) 0.018(8) -0.017(8)
C47' 0.029(8) 0.089(9) 0.035(8) 0.021(8) 0.001(6) -0.019(7)
C48' 0.032(8) 0.041(6) 0.045(8) -0.003(6) 0.021(6) -0.002(6)
C49' 0.035(8) 0.039(7) 0.044(8) 0.004(6) 0.019(6) 0.004(6)
C50' 0.051(10) 0.049(8) 0.044(8) 0.008(7) 0.021(7) 0.003(6)
C51' 0.044(9) 0.067(8) 0.034(8) -0.005(7) 0.025(6) 0.000(6)
C52' 0.063(10) 0.059(8) 0.040(8) 0.007(8) 0.029(7) 0.015(7)
C53' 0.039(9) 0.053(7) 0.045(8) -0.008(6) 0.018(6) 0.006(6)
C54' 0.062(9) 0.052(7) 0.057(9) -0.010(7) 0.024(6) 0.004(6)
C55' 0.032(7) 0.039(6) 0.030(6) 0.009(5) 0.017(5) 0.008(5)
C56' 0.037(6) 0.037(7) 0.024(6) 0.006(5) 0.007(5) -0.002(5)
C57' 0.039(6) 0.046(6) 0.015(6) -0.003(5) 0.009(4) 0.009(5)
C58' 0.048(6) 0.042(6) 0.026(6) -0.001(5) 0.021(5) 0.014(5)
C59' 0.052(6) 0.033(7) 0.023(6) -0.001(5) 0.022(5) -0.001(5)
C60' 0.050(5) 0.049(5) 0.026(6) 0.010(4) 0.015(4) 0.003(5)
C61' 0.053(4) 0.057(4) 0.021(5) 0.016(3) 0.025(4) 0.013(4)
C62' 0.068(6) 0.056(4) 0.044(7) 0.019(4) 0.031(5) 0.012(4)
C63' 0.072(6) 0.064(6) 0.033(7) 0.024(4) 0.033(5) 0.015(5)
C64' 0.070(5) 0.076(5) 0.030(7) 0.022(5) 0.034(5) 0.018(5)
C65' 0.059(5) 0.077(6) 0.031(7) 0.022(4) 0.018(5) 0.014(5)
C66' 0.039(6) 0.047(6) 0.026(7) 0.001(5) 0.012(5) 0.009(5)
C67' 0.034(7) 0.046(6) 0.034(7) 0.007(6) 0.018(5) -0.001(6)
C68' 0.047(7) 0.053(8) 0.039(8) 0.016(6) 0.029(6) 0.025(6)
C69' 0.038(8) 0.081(8) 0.037(8) 0.017(7) 0.012(6) 0.013(7)
C70' 0.034(7) 0.076(8) 0.039(8) 0.014(6) 0.013(6) 0.010(7)
C71' 0.033(6) 0.051(7) 0.043(8) -0.001(5) 0.017(5) 0.010(6)
C72' 0.046(7) 0.052(7) 0.048(7) -0.001(6) 0.013(6) 0.004(6)
C73' 0.095(10) 0.049(9) 0.038(7) -0.020(7) 0.031(7) 0.003(6)
C74' 0.104(11) 0.043(10) 0.060(10) -0.018(7) 0.020(8) -0.007(8)
C75' 0.098(12) 0.106(16) 0.075(13) -0.023(10) -0.007(9) 0.041(10)
C76' 0.069(12) 0.077(12) 0.069(11) -0.005(9) 0.018(8) 0.009(9)
C77' 0.083(15) 0.107(16) 0.081(14) 0.008(11) 0.030(10) -0.006(10)
C78' 0.053(12) 0.154(19) 0.086(14) -0.006(12) 0.017(9) 0.015(12)
C79' 0.088(12) 0.075(12) 0.098(14) 0.007(9) 0.046(10) -0.004(11)
C85' 0.060(10) 0.049(9) 0.052(8) -0.006(7) 0.008(7) 0.004(6)
C86' 0.052(10) 0.083(12) 0.041(8) -0.007(8) 0.004(7) 0.015(7)
C87' 0.043(9) 0.051(10) 0.049(8) -0.009(7) 0.002(6) 0.014(7)
C88' 0.079(13) 0.085(13) 0.051(10) 0.008(10) 0.015(8) 0.026(8)
C89' 0.083(13) 0.074(12) 0.060(11) -0.012(9) 0.021(8) 0.011(8)
C90' 0.127(18) 0.088(15) 0.095(15) 0.010(12) 0.060(12) 0.033(11)
C91' 0.071(11) 0.049(10) 0.071(10) 0.016(8) 0.023(8) 0.002(7)
C92' 0.128(19) 0.15(2) 0.094(15) 0.037(15) 0.062(13) 0.036(13)
C93' 0.136(19) 0.18(2) 0.077(14) 0.066(15) 0.037(12) 0.030(13)
C94' 0.22(3) 0.22(3) 0.10(2) 0.037(19) 0.07(2) 0.041(17)
C95' 0.21(3) 0.16(3) 0.13(2) 0.085(16) 0.06(2) 0.068(19)
C96' 0.21(3) 0.39(5) 0.16(3) -0.05(3) 0.07(2) 0.07(3)
C97' 0.074(10) 0.051(9) 0.064(9) 0.002(7) 0.044(6) 0.013(7)
C98' 0.068(10) 0.062(10) 0.050(9) 0.014(7) 0.038(6) 0.011(7)
C99' 0.114(15) 0.051(11) 0.077(11) 0.022(9) 0.017(8) 0.019(8)
C200 0.112(16) 0.14(2) 0.066(12) 0.042(13) 0.009(9) -0.006(11)
C201 0.25(3) 0.13(2) 0.086(16) 0.085(19) 0.051(16) 0.001(13)
C202 0.34(4) 0.20(3) 0.20(3) 0.09(3) 0.19(3) 0.01(2)
C203 0.072(10) 0.059(11) 0.075(11) -0.019(8) 0.034(7) -0.013(8)
C206 0.20(2) 0.14(2) 0.049(11) 0.015(17) 0.003(13) -0.018(11)
C207 0.15(2) 0.085(15) 0.077(12) 0.008(13) 0.013(12) -0.007(11)
C208 0.24(3) 0.19(3) 0.037(11) 0.04(2) 0.017(14) -0.003(13)
C209 0.047(9) 0.058(9) 0.039(7) -0.013(7) 0.001(6) 0.004(6)
C210 0.066(11) 0.053(10) 0.053(8) -0.002(8) 0.017(7) -0.001(7)
C211 0.071(12) 0.071(12) 0.059(9) -0.008(9) 0.015(8) -0.006(8)
C215 0.068(10) 0.048(10) 0.082(10) -0.006(8) 0.038(9) 0.017(8)
C216 0.125(17) 0.122(17) 0.090(11) 0.003(13) 0.082(12) 0.007(11)
C221 0.087(14) 0.128(17) 0.067(12) -0.016(12) 0.032(9) 0.037(11)
C222 0.069(11) 0.22(2) 0.051(11) -0.054(11) 0.027(9) -0.024(12)
C223 0.089(15) 0.139(18) 0.070(13) 0.040(12) 0.034(10) -0.014(11)
C224 0.064(9) 0.17(2) 0.099(15) 0.062(11) 0.039(10) 0.051(13)
C205 0.07(2) 0.16(3) 0.105(19) -0.03(2) 0.000(16) 0.033(18)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Ir1 N01 . . 93.1(3) ?
N1 Ir1 N02 . . 95.8(3) ?
N1 Ir1 N2 . . 171.0(3) ?
N02 Ir1 N01 . . 80.4(3) ?
N2 Ir1 N01 . . 94.2(3) ?
N2 Ir1 N02 . . 90.7(3) ?
C1 Ir1 N1 . . 81.0(4) ?
C1 Ir1 N01 . . 172.1(3) ?
C1 Ir1 N02 . . 94.8(3) ?
C1 Ir1 N2 . . 92.2(4) ?
C1 Ir1 C19 . . 95.8(4) ?
C19 Ir1 N1 . . 93.8(4) ?
C19 Ir1 N01 . . 89.9(4) ?
C19 Ir1 N02 . . 166.7(4) ?
C19 Ir1 N2 . . 80.9(4) ?
N02 Ir2 N01 . . 80.2(3) ?
N3 Ir2 N01 . . 93.0(3) ?
N3 Ir2 N02 . . 93.8(3) ?
N4 Ir2 N01 . . 90.0(3) ?
N4 Ir2 N02 . . 92.7(3) ?
N4 Ir2 N3 . . 173.2(3) ?
C37 Ir2 N01 . . 92.7(4) ?
C37 Ir2 N02 . . 171.1(4) ?
C37 Ir2 N3 . . 81.2(4) ?
C37 Ir2 N4 . . 92.6(4) ?
C37 Ir2 C55 . . 97.5(4) ?
C55 Ir2 N01 . . 166.4(4) ?
C55 Ir2 N02 . . 90.4(4) ?
C55 Ir2 N3 . . 97.5(4) ?
C55 Ir2 N4 . . 80.5(4) ?
C10 O3 C121 . . 116.9(10) ?
C28 O4 C122 . . 116.0(9) ?
C46 O5 C123 . . 116.9(10) ?
C64 O6 C124 . . 117.2(9) ?
C7 N1 Ir1 . . 115.4(7) ?
C11 N1 Ir1 . . 125.4(8) ?
C11 N1 C7 . . 119.0(9) ?
Ir1 N01 Ir2 . . 98.8(4) ?
C01 N01 Ir1 . . 132.2(8) ?
C01 N01 Ir2 . . 128.6(8) ?
Ir2 N02 Ir1 . . 100.6(3) ?
C02 N02 Ir1 . . 128.4(9) ?
C02 N02 Ir2 . . 129.3(9) ?
C25 N2 Ir1 . . 116.3(7) ?
C25 N2 C29 . . 119.9(9) ?
C29 N2 Ir1 . . 123.6(7) ?
C43 N3 Ir2 . . 114.9(7) ?
C43 N3 C47 . . 122.4(10) ?
C47 N3 Ir2 . . 122.7(8) ?
C61 N4 Ir2 . . 116.0(7) ?
C65 N4 Ir2 . . 125.4(8) ?
C65 N4 C61 . . 118.5(10) ?
N01 C01 O1 . . 179.6(17) ?
C2 C1 Ir1 . . 128.8(8) ?
C6 C1 Ir1 . . 114.5(7) ?
C6 C1 C2 . . 116.7(10) ?
N02 C02 O2 . . 175.3(19) ?
C1 C2 H2A . . 119.6 ?
C3 C2 C1 . . 120.7(11) ?
C3 C2 H2A . . 119.6 ?
C2 C3 C4 . . 121.5(11) ?
C2 C3 C12 . . 129.8(11) ?
C4 C3 C12 . . 108.7(10) ?
C3 C4 C5 . . 120.6(11) ?
C3 C4 C18 . . 111.4(10) ?
C5 C4 C18 . . 128.0(11) ?
C4 C5 H5A . . 121.0 ?
C4 C5 C6 . . 117.9(11) ?
C6 C5 H5A . . 121.0 ?
C1 C6 C7 . . 115.4(10) ?
C5 C6 C1 . . 122.6(10) ?
C5 C6 C7 . . 122.0(10) ?
N1 C7 C6 . . 113.2(10) ?
N1 C7 C8 . . 118.9(10) ?
C8 C7 C6 . . 127.9(11) ?
C7 C8 H8 . . 118.7 ?
C9 C8 C7 . . 122.5(12) ?
C9 C8 H8 . . 118.7 ?
C8 C9 H9 . . 120.6 ?
C8 C9 C10 . . 118.8(12) ?
C10 C9 H9 . . 120.6 ?
O3 C10 C9 . . 118.5(11) ?
O3 C10 C11 . . 122.9(12) ?
C11 C10 C9 . . 118.6(11) ?
N1 C11 C10 . . 122.1(11) ?
N1 C11 H11 . . 118.9 ?
C10 C11 H11 . . 118.9 ?
C13 C12 C3 . . 130.5(11) ?
C13 C12 C17 . . 121.5(11) ?
C17 C12 C3 . . 108.0(11) ?
C12 C13 H13 . . 120.0 ?
C12 C13 C14 . . 120.0(12) ?
C14 C13 H13 . . 120.0 ?
C13 C14 H14 . . 120.3 ?
C13 C14 C15 . . 119.3(13) ?
C15 C14 H14 . . 120.3 ?
C14 C15 H15 . . 120.2 ?
C16 C15 C14 . . 119.6(12) ?
C16 C15 H15 . . 120.2 ?
C15 C16 H16 . . 119.4 ?
C15 C16 C17 . . 121.1(12) ?
C17 C16 H16 . . 119.4 ?
C12 C17 C18 . . 111.6(10) ?
C16 C17 C12 . . 118.4(12) ?
C16 C17 C18 . . 130.0(11) ?
C17 C18 C4 . . 100.2(9) ?
C73 C18 C4 . . 112.6(9) ?
C73 C18 C17 . . 110.8(9) ?
C79 C18 C4 . . 111.7(9) ?
C79 C18 C17 . . 112.1(10) ?
C79 C18 C73 . . 109.2(10) ?
C20 C19 Ir1 . . 130.1(8) ?
C20 C19 C24 . . 115.7(9) ?
C24 C19 Ir1 . . 113.9(8) ?
C19 C20 H6 . . 119.1 ?
C21 C20 C19 . . 121.9(11) ?
C21 C20 H6 . . 119.1 ?
C20 C21 C22 . . 121.3(10) ?
C20 C21 C30 . . 129.3(11) ?
C22 C21 C30 . . 109.4(9) ?
C21 C22 C36 . . 110.8(10) ?
C23 C22 C21 . . 120.1(10) ?
C23 C22 C36 . . 129.1(10) ?
C22 C23 H23 . . 120.8 ?
C22 C23 C24 . . 118.4(10) ?
C24 C23 H23 . . 120.8 ?
C19 C24 C25 . . 115.3(9) ?
C23 C24 C19 . . 122.6(10) ?
C23 C24 C25 . . 121.9(10) ?
N2 C25 C24 . . 112.8(10) ?
N2 C25 C26 . . 118.7(10) ?
C26 C25 C24 . . 128.4(10) ?
C25 C26 H26 . . 119.1 ?
C27 C26 C25 . . 121.7(11) ?
C27 C26 H26 . . 119.1 ?
C26 C27 H27 . . 120.6 ?
C26 C27 C28 . . 118.9(11) ?
C28 C27 H27 . . 120.6 ?
O4 C28 C27 . . 117.3(11) ?
O4 C28 C29 . . 124.1(11) ?
C29 C28 C27 . . 118.6(11) ?
N2 C29 H29 . . 119.0 ?
C28 C29 N2 . . 121.9(10) ?
C28 C29 H29 . . 119.0 ?
C31 C30 C21 . . 131.3(10) ?
C31 C30 C35 . . 123.1(10) ?
C35 C30 C21 . . 105.6(10) ?
C30 C31 H31 . . 121.3 ?
C30 C31 C32 . . 117.4(10) ?
C32 C31 H31 . . 121.3 ?
C31 C32 H32 . . 119.4 ?
C33 C32 C31 . . 121.2(11) ?
C33 C32 H32 . . 119.4 ?
C32 C33 H33 . . 119.4 ?
C32 C33 C34 . . 121.1(11) ?
C34 C33 H33 . . 119.4 ?
C33 C34 H34 . . 120.0 ?
C33 C34 C35 . . 120.1(11) ?
C35 C34 H34 . . 120.0 ?
C30 C35 C36 . . 113.8(10) ?
C34 C35 C30 . . 117.1(11) ?
C34 C35 C36 . . 129.1(10) ?
C35 C36 C22 . . 100.4(9) ?
C35 C36 C85 . . 111.9(9) ?
C35 C36 C91 . . 111.9(9) ?
C85 C36 C22 . . 111.4(8) ?
C91 C36 C22 . . 110.1(9) ?
C91 C36 C85 . . 110.7(9) ?
C38 C37 Ir2 . . 129.7(9) ?
C38 C37 C42 . . 115.6(10) ?
C42 C37 Ir2 . . 114.4(8) ?
C37 C38 H38 . . 118.8 ?
C37 C38 C39 . . 122.5(11) ?
C39 C38 H38 . . 118.8 ?
C38 C39 C48 . . 131.8(11) ?
C40 C39 C38 . . 119.6(11) ?
C40 C39 C48 . . 108.6(10) ?
C39 C40 C54 . . 110.2(10) ?
C41 C40 C39 . . 120.9(11) ?
C41 C40 C54 . . 128.9(11) ?
C40 C41 H41 . . 121.0 ?
C40 C41 C42 . . 118.1(11) ?
C42 C41 H41 . . 121.0 ?
C37 C42 C43 . . 114.6(10) ?
C41 C42 C37 . . 123.1(10) ?
C41 C42 C43 . . 122.3(11) ?
N3 C43 C42 . . 114.8(10) ?
N3 C43 C44 . . 118.8(11) ?
C44 C43 C42 . . 126.4(11) ?
C43 C44 H44 . . 119.3 ?
C45 C44 C43 . . 121.3(12) ?
C45 C44 H44 . . 119.3 ?
C44 C45 H45 . . 120.9 ?
C44 C45 C46 . . 118.1(12) ?
C46 C45 H45 . . 120.9 ?
O5 C46 C45 . . 116.1(11) ?
O5 C46 C47 . . 123.3(12) ?
C47 C46 C45 . . 120.6(11) ?
N3 C47 C46 . . 118.8(11) ?
N3 C47 H47 . . 120.6 ?
C46 C47 H47 . . 120.6 ?
C49 C48 C39 . . 130.0(12) ?
C49 C48 C53 . . 120.6(11) ?
C53 C48 C39 . . 109.4(11) ?
C48 C49 H49 . . 120.6 ?
C48 C49 C50 . . 118.8(12) ?
C50 C49 H49 . . 120.6 ?
C49 C50 H50 . . 120.3 ?
C51 C50 C49 . . 119.3(13) ?
C51 C50 H50 . . 120.3 ?
C50 C51 H51 . . 119.5 ?
C52 C51 C50 . . 121.0(13) ?
C52 C51 H51 . . 119.5 ?
C51 C52 H52 . . 119.9 ?
C53 C52 C51 . . 120.2(14) ?
C53 C52 H52 . . 119.9 ?
C48 C53 C54 . . 110.6(10) ?
C52 C53 C48 . . 120.1(13) ?
C52 C53 C54 . . 129.3(12) ?
C40 C54 C97 . . 110.8(10) ?
C40 C54 C103 . . 111.5(10) ?
C53 C54 C40 . . 101.0(9) ?
C53 C54 C97 . . 112.2(10) ?
C53 C54 C103 . . 113.0(10) ?
C97 C54 C103 . . 108.2(10) ?
C56 C55 Ir2 . . 127.3(8) ?
C60 C55 Ir2 . . 115.4(8) ?
C60 C55 C56 . . 117.0(10) ?
C55 C56 H56 . . 120.6 ?
C57 C56 C55 . . 118.9(11) ?
C57 C56 H56 . . 120.6 ?
C56 C57 C66 . . 129.2(11) ?
C58 C57 C56 . . 122.4(11) ?
C58 C57 C66 . . 108.4(10) ?
C57 C58 C72 . . 111.5(10) ?
C59 C58 C57 . . 119.8(11) ?
C59 C58 C72 . . 128.7(11) ?
C58 C59 H59 . . 120.8 ?
C58 C59 C60 . . 118.5(10) ?
C60 C59 H59 . . 120.8 ?
C55 C60 C59 . . 123.3(10) ?
C55 C60 C61 . . 113.2(9) ?
C59 C60 C61 . . 123.5(10) ?
N4 C61 C60 . . 114.2(10) ?
N4 C61 C62 . . 120.2(10) ?
C62 C61 C60 . . 125.4(10) ?
C61 C62 H62 . . 119.6 ?
C63 C62 C61 . . 120.9(11) ?
C63 C62 H62 . . 119.6 ?
C62 C63 H63 . . 121.1 ?
C62 C63 C64 . . 117.8(12) ?
C64 C63 H63 . . 121.1 ?
O6 C64 C63 . . 117.4(11) ?
O6 C64 C65 . . 123.4(11) ?
C65 C64 C63 . . 119.2(11) ?
N4 C65 C64 . . 123.3(11) ?
N4 C65 H65 . . 118.3 ?
C64 C65 H65 . . 118.3 ?
C67 C66 C57 . . 131.5(11) ?
C67 C66 C71 . . 121.0(10) ?
C71 C66 C57 . . 107.5(10) ?
C66 C67 H67 . . 120.3 ?
C68 C67 C66 . . 119.3(12) ?
C68 C67 H67 . . 120.3 ?
C67 C68 H68 . . 120.0 ?
C67 C68 C69 . . 120.1(12) ?
C69 C68 H68 . . 120.0 ?
C68 C69 H69 . . 120.2 ?
C70 C69 C68 . . 119.6(12) ?
C70 C69 H69 . . 120.2 ?
C69 C70 H70 . . 119.1 ?
C69 C70 C71 . . 121.7(12) ?
C71 C70 H70 . . 119.1 ?
C66 C71 C72 . . 112.1(10) ?
C70 C71 C66 . . 118.2(11) ?
C70 C71 C72 . . 129.7(11) ?
C58 C72 C109 . . 110.0(9) ?
C58 C72 C115 . . 113.3(10) ?
C71 C72 C58 . . 100.4(9) ?
C71 C72 C109 . . 112.5(10) ?
C71 C72 C115 . . 113.1(9) ?
C115 C72 C109 . . 107.5(9) ?
C18 C73 H73C . . 108.3 ?
C18 C73 H73D . . 108.3 ?
H73C C73 H73D . . 107.4 ?
C74 C73 C18 . . 115.9(10) ?
C74 C73 H73C . . 108.3 ?
C74 C73 H73D . . 108.3 ?
C73 C74 H74C . . 108.7 ?
C73 C74 H74D . . 108.7 ?
C73 C74 C75 . . 114.1(11) ?
H74C C74 H74D . . 107.6 ?
C75 C74 H74C . . 108.7 ?
C75 C74 H74D . . 108.7 ?
C74 C75 H75C . . 107.7 ?
C74 C75 H75D . . 107.7 ?
H75C C75 H75D . . 107.1 ?
C76 C75 C74 . . 118.5(13) ?
C76 C75 H75C . . 107.7 ?
C76 C75 H75D . . 107.7 ?
C75 C76 H76C . . 109.7 ?
C75 C76 H76D . . 109.7 ?
C75 C76 C77 . . 110.0(16) ?
H76C C76 H76D . . 108.2 ?
C77 C76 H76C . . 109.7 ?
C77 C76 H76D . . 109.7 ?
C76 C77 H77C . . 109.0 ?
C76 C77 H77D . . 109.0 ?
H77C C77 H77D . . 107.8 ?
C78 C77 C76 . . 113.0(18) ?
C78 C77 H77C . . 109.0 ?
C78 C77 H77D . . 109.0 ?
C77 C78 H78D . . 109.5 ?
C77 C78 H78E . . 109.5 ?
C77 C78 H78F . . 109.5 ?
H78D C78 H78E . . 109.5 ?
H78D C78 H78F . . 109.5 ?
H78E C78 H78F . . 109.5 ?
C18 C79 H79E . . 108.3 ?
C18 C79 H79F . . 108.3 ?
C18 C79 C80 . . 115.8(10) ?
H79E C79 H79F . . 107.4 ?
C80 C79 H79E . . 108.3 ?
C80 C79 H79F . . 108.3 ?
C79 C80 H80E . . 108.8 ?
C79 C80 H80F . . 108.8 ?
H80E C80 H80F . . 107.7 ?
C81 C80 C79 . . 113.8(11) ?
C81 C80 H80E . . 108.8 ?
C81 C80 H80F . . 108.8 ?
C80 C81 H81E . . 108.5 ?
C80 C81 H81F . . 108.5 ?
H81E C81 H81F . . 107.5 ?
C82 C81 C80 . . 115.0(12) ?
C82 C81 H81E . . 108.5 ?
C82 C81 H81F . . 108.5 ?
C81 C82 H82C . . 108.7 ?
C81 C82 H82D . . 108.7 ?
H82C C82 H82D . . 107.6 ?
C83 C82 C81 . . 114.4(13) ?
C83 C82 H82C . . 108.7 ?
C83 C82 H82D . . 108.7 ?
C82 C83 H83C . . 108.6 ?
C82 C83 H83D . . 108.6 ?
C82 C83 C84 . . 114.8(15) ?
H83C C83 H83D . . 107.6 ?
C84 C83 H83C . . 108.6 ?
C84 C83 H83D . . 108.6 ?
C83 C84 H84D . . 109.5 ?
C83 C84 H84E . . 109.5 ?
C83 C84 H84F . . 109.5 ?
H84D C84 H84E . . 109.5 ?
H84D C84 H84F . . 109.5 ?
H84E C84 H84F . . 109.5 ?
C36 C85 H85C . . 108.3 ?
C36 C85 H85D . . 108.3 ?
H85C C85 H85D . . 107.4 ?
C86 C85 C36 . . 116.1(9) ?
C86 C85 H85C . . 108.3 ?
C86 C85 H85D . . 108.3 ?
C85 C86 H86C . . 108.6 ?
C85 C86 H86D . . 108.6 ?
C85 C86 C87 . . 114.6(9) ?
H86C C86 H86D . . 107.6 ?
C87 C86 H86C . . 108.6 ?
C87 C86 H86D . . 108.6 ?
C86 C87 H87C . . 108.6 ?
C86 C87 H87D . . 108.6 ?
C86 C87 C88 . . 114.8(10) ?
H87C C87 H87D . . 107.5 ?
C88 C87 H87C . . 108.6 ?
C88 C87 H87D . . 108.6 ?
C87 C88 H88C . . 108.7 ?
C87 C88 H88D . . 108.7 ?
H88C C88 H88D . . 107.6 ?
C89 C88 C87 . . 114.1(10) ?
C89 C88 H88C . . 108.7 ?
C89 C88 H88D . . 108.7 ?
C88 C89 H89C . . 109.0 ?
C88 C89 H89D . . 109.0 ?
C88 C89 C90 . . 113.1(12) ?
H89C C89 H89D . . 107.8 ?
C90 C89 H89C . . 109.0 ?
C90 C89 H89D . . 109.0 ?
C89 C90 H90D . . 109.5 ?
C89 C90 H90E . . 109.5 ?
C89 C90 H90F . . 109.5 ?
H90D C90 H90E . . 109.5 ?
H90D C90 H90F . . 109.5 ?
H90E C90 H90F . . 109.5 ?
C36 C91 H91C . . 108.3 ?
C36 C91 H91D . . 108.3 ?
H91C C91 H91D . . 107.4 ?
C92 C91 C36 . . 115.8(9) ?
C92 C91 H91C . . 108.3 ?
C92 C91 H91D . . 108.3 ?
C91 C92 H92C . . 109.0 ?
C91 C92 H92D . . 109.0 ?
C91 C92 C93 . . 113.0(9) ?
H92C C92 H92D . . 107.8 ?
C93 C92 H92C . . 109.0 ?
C93 C92 H92D . . 109.0 ?
C92 C93 H93C . . 108.6 ?
C92 C93 H93D . . 108.6 ?
H93C C93 H93D . . 107.6 ?
C94 C93 C92 . . 114.6(10) ?
C94 C93 H93C . . 108.6 ?
C94 C93 H93D . . 108.6 ?
C93 C94 H94C . . 109.5 ?
C93 C94 H94D . . 109.5 ?
C93 C94 C95 . . 110.9(12) ?
H94C C94 H94D . . 108.1 ?
C95 C94 H94C . . 109.5 ?
C95 C94 H94D . . 109.5 ?
C94 C95 H95C . . 108.5 ?
C94 C95 H95D . . 108.5 ?
C94 C95 C96 . . 115.0(15) ?
H95C C95 H95D . . 107.5 ?
C96 C95 H95C . . 108.5 ?
C96 C95 H95D . . 108.5 ?
C95 C96 H96D . . 109.5 ?
C95 C96 H96E . . 109.5 ?
C95 C96 H96F . . 109.5 ?
H96D C96 H96E . . 109.5 ?
H96D C96 H96F . . 109.5 ?
H96E C96 H96F . . 109.5 ?
C54 C97 H97C . . 108.1 ?
C54 C97 H97D . . 108.1 ?
H97C C97 H97D . . 107.3 ?
C98 C97 C54 . . 116.6(10) ?
C98 C97 H97C . . 108.1 ?
C98 C97 H97D . . 108.1 ?
C97 C98 H98C . . 110.1 ?
C97 C98 H98D . . 110.1 ?
C97 C98 C99 . . 108.1(11) ?
H98C C98 H98D . . 108.4 ?
C99 C98 H98C . . 110.1 ?
C99 C98 H98D . . 110.1 ?
C98 C99 H99C . . 108.8 ?
C98 C99 H99D . . 108.8 ?
H99C C99 H99D . . 107.7 ?
C100 C99 C98 . . 114.0(13) ?
C100 C99 H99C . . 108.8 ?
C100 C99 H99D . . 108.8 ?
C99 C100 H10C . . 109.1 ?
C99 C100 H10D . . 109.1 ?
C99 C100 H10A . . 109.1 ?
C99 C100 H10B . . 109.1 ?
C99 C100 C101 . . 112.3(16) ?
C99 C100 C126 . . 113(3) ?
H10C C100 H10D . . 107.8 ?
H10A C100 H10B . . 107.9 ?
C101 C100 H10A . . 109.2 ?
C101 C100 H10B . . 109.1 ?
C126 C100 H10C . . 109.1 ?
C126 C100 H10D . . 109.1 ?
C54 C103 H10E . . 108.0 ?
C54 C103 H10F . . 108.0 ?
H10E C103 H10F . . 107.3 ?
C104 C103 C54 . . 117.1(10) ?
C104 C103 H10E . . 108.0 ?
C104 C103 H10F . . 108.0 ?
C103 C104 H10G . . 107.3 ?
C103 C104 H10H . . 107.3 ?
C103 C104 H10I . . 112.1 ?
C103 C104 H10J . . 112.1 ?
C103 C104 C105 . . 119.9(12) ?
C103 C104 C10A . . 98.5(17) ?
H10G C104 H10H . . 106.9 ?
H10I C104 H10J . . 109.7 ?
C105 C104 H10G . . 107.3 ?
C105 C104 H10H . . 107.3 ?
C10A C104 H10I . . 112.1 ?
C10A C104 H10J . . 112.1 ?
C72 C109 H10K . . 108.6 ?
C72 C109 H10L . . 108.6 ?
H10K C109 H10L . . 107.6 ?
C110 C109 C72 . . 114.7(10) ?
C110 C109 H10K . . 108.6 ?
C110 C109 H10L . . 108.6 ?
C109 C110 H11A . . 109.2 ?
C109 C110 H11B . . 109.2 ?
C109 C110 C111 . . 112.1(12) ?
H11A C110 H11B . . 107.9 ?
C111 C110 H11A . . 109.2 ?
C111 C110 H11B . . 109.2 ?
C110 C111 H11C . . 108.2 ?
C110 C111 H11D . . 108.2 ?
H11C C111 H11D . . 107.4 ?
C112 C111 C110 . . 116.3(16) ?
C112 C111 H11C . . 108.2 ?
C112 C111 H11D . . 108.2 ?
C111 C112 H11E . . 110.0 ?
C111 C112 H11F . . 110.0 ?
C111 C112 C113 . . 109(2) ?
H11E C112 H11F . . 108.3 ?
C113 C112 H11E . . 110.0 ?
C113 C112 H11F . . 110.0 ?
C112 C113 H11G . . 108.1 ?
C112 C113 H11H . . 108.1 ?
C112 C113 C114 . . 117(3) ?
H11G C113 H11H . . 107.3 ?
C114 C113 H11G . . 108.1 ?
C114 C113 H11H . . 108.1 ?
C113 C114 H11I . . 109.5 ?
C113 C114 H11J . . 109.5 ?
C113 C114 H11K . . 109.5 ?
H11I C114 H11J . . 109.5 ?
H11I C114 H11K . . 109.5 ?
H11J C114 H11K . . 109.5 ?
C72 C115 H11L . . 107.9 ?
C72 C115 H11M . . 107.9 ?
H11L C115 H11M . . 107.2 ?
C116 C115 C72 . . 117.5(9) ?
C116 C115 H11L . . 107.9 ?
C116 C115 H11M . . 107.9 ?
C115 C116 H11N . . 108.6 ?
C115 C116 H11O . . 108.6 ?
H11N C116 H11O . . 107.6 ?
C117 C116 C115 . . 114.5(9) ?
C117 C116 H11N . . 108.6 ?
C117 C116 H11O . . 108.6 ?
C116 C117 H11P . . 108.5 ?
C116 C117 H11Q . . 108.5 ?
C116 C117 C118 . . 115.2(10) ?
H11P C117 H11Q . . 107.5 ?
C118 C117 H11P . . 108.5 ?
C118 C117 H11Q . . 108.5 ?
C117 C118 H11R . . 109.0 ?
C117 C118 H11S . . 109.0 ?
C117 C118 C119 . . 112.8(10) ?
H11R C118 H11S . . 107.8 ?
C119 C118 H11R . . 109.0 ?
C119 C118 H11S . . 109.0 ?
C118 C119 H11T . . 108.6 ?
C118 C119 H11U . . 108.6 ?
H11T C119 H11U . . 107.6 ?
C120 C119 C118 . . 114.5(11) ?
C120 C119 H11T . . 108.6 ?
C120 C119 H11U . . 108.6 ?
C119 C120 H12A . . 109.5 ?
C119 C120 H12B . . 109.5 ?
C119 C120 H12C . . 109.5 ?
H12A C120 H12B . . 109.5 ?
H12A C120 H12C . . 109.5 ?
H12B C120 H12C . . 109.5 ?
O3 C121 H12D . . 109.5 ?
O3 C121 H12E . . 109.5 ?
O3 C121 H12F . . 109.5 ?
H12D C121 H12E . . 109.5 ?
H12D C121 H12F . . 109.5 ?
H12E C121 H12F . . 109.5 ?
O4 C122 H12G . . 109.5 ?
O4 C122 H12H . . 109.5 ?
O4 C122 H12I . . 109.5 ?
H12G C122 H12H . . 109.5 ?
H12G C122 H12I . . 109.5 ?
H12H C122 H12I . . 109.5 ?
O5 C123 H12J . . 109.5 ?
O5 C123 H12K . . 109.5 ?
O5 C123 H12L . . 109.5 ?
H12J C123 H12K . . 109.5 ?
H12J C123 H12L . . 109.5 ?
H12K C123 H12L . . 109.5 ?
O6 C124 H12M . . 109.5 ?
O6 C124 H12N . . 109.5 ?
O6 C124 H12O . . 109.5 ?
H12M C124 H12N . . 109.5 ?
H12M C124 H12O . . 109.5 ?
H12N C124 H12O . . 109.5 ?
C100 C101 H10M . . 108.5 ?
C100 C101 H10N . . 108.5 ?
H10M C101 H10N . . 107.5 ?
C102 C101 C100 . . 115(2) ?
C102 C101 H10M . . 108.5 ?
C102 C101 H10N . . 108.5 ?
C101 C102 H10O . . 109.5 ?
C101 C102 H10P . . 109.5 ?
C101 C102 H10Q . . 109.5 ?
H10O C102 H10P . . 109.5 ?
H10O C102 H10Q . . 109.5 ?
H10P C102 H10Q . . 109.5 ?
C104 C105 H10R . . 108.6 ?
C104 C105 H10S . . 108.6 ?
C104 C105 C106 . . 114.8(14) ?
H10R C105 H10S . . 107.6 ?
C106 C105 H10R . . 108.6 ?
C106 C105 H10S . . 108.6 ?
C105 C106 H10T . . 108.7 ?
C105 C106 H10U . . 108.7 ?
C105 C106 C107 . . 114.4(15) ?
H10T C106 H10U . . 107.6 ?
C107 C106 H10T . . 108.7 ?
C107 C106 H10U . . 108.7 ?
C106 C107 H10V . . 109.2 ?
C106 C107 H10W . . 109.2 ?
C106 C107 C108 . . 112(2) ?
H10V C107 H10W . . 107.9 ?
C108 C107 H10V . . 109.2 ?
C108 C107 H10W . . 109.2 ?
C107 C108 H10X . . 109.5 ?
C107 C108 H10Y . . 109.5 ?
C107 C108 H . . 109.5 ?
H10X C108 H10Y . . 109.5 ?
H10X C108 H . . 109.5 ?
H10Y C108 H . . 109.5 ?
C104 C10A H10Z . . 109.1 ?
C104 C10A HA . . 109.1 ?
H10Z C10A HA . . 107.9 ?
C10B C10A C104 . . 112(3) ?
C10B C10A H10Z . . 109.1 ?
C10B C10A HA . . 109.1 ?
C10A C10B H10 . . 108.1 ?
C10A C10B HB . . 108.1 ?
C10A C10B C10C . . 117(4) ?
H10 C10B HB . . 107.3 ?
C10C C10B H10 . . 108.1 ?
C10C C10B HB . . 108.1 ?
C10B C10C H7 . . 106.8 ?
C10B C10C HC . . 106.8 ?
H7 C10C HC . . 106.6 ?
C10D C10C C10B . . 122(4) ?
C10D C10C H7 . . 106.8 ?
C10D C10C HC . . 106.8 ?
C10C C10D H12 . . 109.5 ?
C10C C10D HD . . 109.5 ?
C10C C10D HE . . 109.5 ?
H12 C10D HD . . 109.5 ?
H12 C10D HE . . 109.5 ?
HD C10D HE . . 109.5 ?
H12P C125 H12Q . . 109.5 ?
H12P C125 H12R . . 109.5 ?
H12Q C125 H12R . . 109.5 ?
C126 C125 H12P . . 109.5 ?
C126 C125 H12Q . . 109.5 ?
C126 C125 H12R . . 109.5 ?
C100 C126 H12S . . 105.0 ?
C100 C126 H12T . . 105.0 ?
C125 C126 C100 . . 129(4) ?
C125 C126 H12S . . 105.0 ?
C125 C126 H12T . . 105.0 ?
H12S C126 H12T . . 105.9 ?
N01' Ir3 N02' . . 80.0(4) ?
N1' Ir3 N01' . . 94.1(4) ?
N1' Ir3 N02' . . 90.3(4) ?
N2' Ir3 N01' . . 89.7(4) ?
N2' Ir3 N1' . . 171.0(4) ?
N2' Ir3 N02' . . 98.4(4) ?
N2' Ir3 C1' . . 89.6(5) ?
N2' Ir3 C19' . . 81.3(5) ?
C1' Ir3 N01' . . 97.1(4) ?
C1' Ir3 N1' . . 81.9(5) ?
C1' Ir3 N02' . . 171.5(5) ?
C19' Ir3 N01' . . 166.9(4) ?
C19' Ir3 N1' . . 96.2(5) ?
C19' Ir3 N02' . . 91.9(4) ?
C19' Ir3 C1' . . 92.3(5) ?
N02' Ir4 N01' . . 80.4(3) ?
N3' Ir4 N01' . . 92.6(4) ?
N3' Ir4 N02' . . 95.9(4) ?
N4' Ir4 N01' . . 90.7(4) ?
N4' Ir4 N02' . . 91.2(4) ?
N4' Ir4 N3' . . 172.6(4) ?
N4' Ir4 C37' . . 96.6(5) ?
N4' Ir4 C55' . . 80.5(5) ?
C37' Ir4 N01' . . 171.0(5) ?
C37' Ir4 N02' . . 94.1(4) ?
C37' Ir4 N3' . . 80.8(5) ?
C55' Ir4 N01' . . 91.2(4) ?
C55' Ir4 N02' . . 168.2(4) ?
C55' Ir4 N3' . . 92.8(5) ?
C55' Ir4 C37' . . 95.2(5) ?
C10' O3' C221 . . 112.8(13) ?
C28' O4' C222 . . 114.0(15) ?
C46' O5' C223 . . 114.9(15) ?
C64' O6' C224 . . 119.7(14) ?
Ir3 N01' Ir4 . . 98.4(4) ?
C01' N01' Ir3 . . 132.2(12) ?
C01' N01' Ir4 . . 128.7(12) ?
C7' N1' Ir3 . . 113.9(8) ?
C11' N1' Ir3 . . 125.2(10) ?
C11' N1' C7' . . 120.9(12) ?
C25' N2' Ir3 . . 118.4(10) ?
C25' N2' C29' . . 113.4(14) ?
C29' N2' Ir3 . . 127.0(11) ?
Ir4 N02' Ir3 . . 100.9(4) ?
C02' N02' Ir3 . . 125.9(10) ?
C02' N02' Ir4 . . 132.1(10) ?
C43' N3' Ir4 . . 115.2(9) ?
C43' N3' C47' . . 120.1(13) ?
C47' N3' Ir4 . . 124.1(10) ?
C61' N4' Ir4 . . 121.8(9) ?
C61' N4' C65' . . 110.1(12) ?
C65' N4' Ir4 . . 127.9(10) ?
N01' C01' O1' . . 179(2) ?
C2' C1' Ir3 . . 129.9(10) ?
C2' C1' C6' . . 117.7(11) ?
C6' C1' Ir3 . . 112.0(9) ?
N02' C02' O2' . . 178(2) ?
C1' C2' H2' . . 119.2 ?
C3' C2' C1' . . 121.7(13) ?
C3' C2' H2' . . 119.2 ?
C2' C3' C4' . . 120.5(13) ?
C2' C3' C12' . . 130.3(13) ?
C4' C3' C12' . . 109.1(11) ?
C3' C4' C18' . . 111.1(12) ?
C5' C4' C3' . . 121.1(12) ?
C5' C4' C18' . . 127.6(13) ?
C4' C5' H5' . . 121.0 ?
C4' C5' C6' . . 118.1(13) ?
C6' C5' H5' . . 121.0 ?
C1' C6' C5' . . 120.7(12) ?
C1' C6' C7' . . 116.3(12) ?
C5' C6' C7' . . 122.7(13) ?
N1' C7' C6' . . 115.2(12) ?
N1' C7' C8' . . 119.2(12) ?
C8' C7' C6' . . 125.5(13) ?
C7' C8' H8' . . 119.5 ?
C9' C8' C7' . . 121.0(14) ?
C9' C8' H8' . . 119.5 ?
C8' C9' H9' . . 120.7 ?
C8' C9' C10' . . 118.5(15) ?
C10' C9' H9' . . 120.7 ?
O3' C10' C9' . . 114.6(15) ?
C11' C10' O3' . . 126.6(14) ?
C11' C10' C9' . . 118.8(14) ?
N1' C11' C10' . . 121.5(14) ?
N1' C11' H11' . . 119.2 ?
C10' C11' H11' . . 119.2 ?
C13' C12' C3' . . 131.9(11) ?
C13' C12' C17' . . 119.8(12) ?
C17' C12' C3' . . 108.2(12) ?
C12' C13' H13' . . 120.5 ?
C12' C13' C14' . . 119.0(12) ?
C14' C13' H13' . . 120.5 ?
C13' C14' H14' . . 119.7 ?
C15' C14' C13' . . 120.6(14) ?
C15' C14' H14' . . 119.7 ?
C14' C15' H15' . . 119.8 ?
C16' C15' C14' . . 120.4(13) ?
C16' C15' H15' . . 119.8 ?
C15' C16' H16' . . 119.7 ?
C15' C16' C17' . . 120.6(13) ?
C17' C16' H16' . . 119.7 ?
C12' C17' C18' . . 110.7(11) ?
C16' C17' C12' . . 119.0(13) ?
C16' C17' C18' . . 129.9(12) ?
C4' C18' C73' . . 111.5(12) ?
C17' C18' C4' . . 100.8(10) ?
C17' C18' C73' . . 111.6(12) ?
C79' C18' C4' . . 112.8(13) ?
C79' C18' C17' . . 111.9(13) ?
C79' C18' C73' . . 108.2(12) ?
C20' C19' Ir3 . . 127.9(10) ?
C20' C19' C24' . . 119.3(12) ?
C24' C19' Ir3 . . 112.5(9) ?
C19' C20' H20' . . 121.2 ?
C19' C20' C21' . . 117.5(13) ?
C21' C20' H20' . . 121.2 ?
C20' C21' C30' . . 126.4(14) ?
C22' C21' C20' . . 124.4(14) ?
C22' C21' C30' . . 109.1(13) ?
C21' C22' C23' . . 117.5(13) ?
C21' C22' C36' . . 111.8(13) ?
C23' C22' C36' . . 130.7(14) ?
C22' C23' H23' . . 119.9 ?
C24' C23' C22' . . 120.2(14) ?
C24' C23' H23' . . 119.9 ?
C19' C24' C25' . . 115.6(13) ?
C23' C24' C19' . . 121.0(13) ?
C23' C24' C25' . . 123.5(15) ?
N2' C25' C24' . . 111.7(14) ?
N2' C25' C26' . . 124.3(14) ?
C26' C25' C24' . . 124.0(15) ?
C25' C26' H26' . . 120.3 ?
C25' C26' C27' . . 119.3(16) ?
C27' C26' H26' . . 120.3 ?
C26' C27' H27' . . 122.2 ?
C28' C27' C26' . . 115.6(16) ?
C28' C27' H27' . . 122.2 ?
C27' C28' O4' . . 112.0(17) ?
C29' C28' O4' . . 126.1(17) ?
C29' C28' C27' . . 121.9(16) ?
N2' C29' H29' . . 117.3 ?
C28' C29' N2' . . 125.3(16) ?
C28' C29' H29' . . 117.3 ?
C31' C30' C21' . . 134.6(14) ?
C31' C30' C35' . . 118.4(13) ?
C35' C30' C21' . . 106.7(13) ?
C30' C31' H31' . . 119.9 ?
C32' C31' C30' . . 120.1(14) ?
C32' C31' H31' . . 119.9 ?
C31' C32' H32' . . 119.8 ?
C33' C32' C31' . . 120.4(15) ?
C33' C32' H32' . . 119.8 ?
C32' C33' H33' . . 119.1 ?
C32' C33' C34' . . 121.9(15) ?
C34' C33' H33' . . 119.1 ?
C33' C34' H34' . . 119.9 ?
C33' C34' C35' . . 120.2(14) ?
C35' C34' H34' . . 119.9 ?
C30' C35' C36' . . 110.1(13) ?
C34' C35' C30' . . 118.6(14) ?
C34' C35' C36' . . 131.3(14) ?
C22' C36' C91' . . 111.1(12) ?
C35' C36' C22' . . 102.2(12) ?
C35' C36' C85' . . 112.7(12) ?
C35' C36' C91' . . 110.1(12) ?
C85' C36' C22' . . 111.0(11) ?
C85' C36' C91' . . 109.6(12) ?
C38' C37' Ir4 . . 128.3(10) ?
C42' C37' Ir4 . . 112.9(9) ?
C42' C37' C38' . . 118.7(12) ?
C37' C38' H38' . . 121.0 ?
C39' C38' C37' . . 118.1(13) ?
C39' C38' H38' . . 121.0 ?
C38' C39' C48' . . 129.3(12) ?
C40' C39' C38' . . 123.3(12) ?
C40' C39' C48' . . 107.4(11) ?
C39' C40' C54' . . 112.0(12) ?
C41' C40' C39' . . 120.2(12) ?
C41' C40' C54' . . 127.7(13) ?
C40' C41' H41' . . 120.4 ?
C40' C41' C42' . . 119.2(13) ?
C42' C41' H41' . . 120.4 ?
C37' C42' C41' . . 120.4(12) ?
C37' C42' C43' . . 116.1(12) ?
C41' C42' C43' . . 123.5(13) ?
N3' C43' C42' . . 114.5(13) ?
N3' C43' C44' . . 120.2(13) ?
C44' C43' C42' . . 125.2(14) ?
C43' C44' H44' . . 120.7 ?
C45' C44' C43' . . 118.5(16) ?
C45' C44' H44' . . 120.7 ?
C44' C45' H45' . . 120.6 ?
C46' C45' C44' . . 118.8(17) ?
C46' C45' H45' . . 120.6 ?
O5' C46' C45' . . 113.4(17) ?
C47' C46' O5' . . 126.1(17) ?
C47' C46' C45' . . 120.5(15) ?
N3' C47' H47' . . 119.1 ?
C46' C47' N3' . . 121.9(16) ?
C46' C47' H47' . . 119.1 ?
C49' C48' C39' . . 129.7(12) ?
C53' C48' C39' . . 109.8(12) ?
C53' C48' C49' . . 120.4(12) ?
C48' C49' H49' . . 121.1 ?
C48' C49' C50' . . 117.7(12) ?
C50' C49' H49' . . 121.1 ?
C49' C50' H50' . . 120.2 ?
C51' C50' C49' . . 119.7(13) ?
C51' C50' H50' . . 120.2 ?
C50' C51' H51' . . 118.2 ?
C50' C51' C52' . . 123.5(12) ?
C52' C51' H51' . . 118.2 ?
C51' C52' H52' . . 121.6 ?
C53' C52' C51' . . 116.9(13) ?
C53' C52' H52' . . 121.6 ?
C48' C53' C52' . . 121.8(13) ?
C48' C53' C54' . . 110.2(11) ?
C52' C53' C54' . . 127.9(13) ?
C40' C54' C53' . . 100.4(11) ?
C40' C54' C97' . . 111.2(12) ?
C40' C54' C203 . . 111.6(11) ?
C53' C54' C97' . . 109.5(11) ?
C53' C54' C203 . . 111.7(12) ?
C203 C54' C97' . . 111.8(11) ?
C56' C55' Ir4 . . 129.6(10) ?
C56' C55' C60' . . 117.7(12) ?
C60' C55' Ir4 . . 112.6(9) ?
C55' C56' H56' . . 119.9 ?
C57' C56' C55' . . 120.2(12) ?
C57' C56' H56' . . 119.9 ?
C56' C57' C58' . . 122.0(12) ?
C56' C57' C66' . . 129.9(12) ?
C58' C57' C66' . . 108.2(11) ?
C57' C58' C72' . . 110.9(11) ?
C59' C58' C57' . . 119.1(12) ?
C59' C58' C72' . . 130.0(12) ?
C58' C59' H59' . . 120.3 ?
C58' C59' C60' . . 119.4(12) ?
C60' C59' H59' . . 120.3 ?
C55' C60' C61' . . 115.1(12) ?
C59' C60' C55' . . 121.4(12) ?
C59' C60' C61' . . 123.4(13) ?
N4' C61' C60' . . 108.5(12) ?
N4' C61' C62' . . 125.3(13) ?
C62' C61' C60' . . 126.2(14) ?
C61' C62' H62' . . 120.4 ?
C61' C62' C63' . . 119.3(15) ?
C63' C62' H62' . . 120.4 ?
C62' C63' H63' . . 120.2 ?
C64' C63' C62' . . 119.6(16) ?
C64' C63' H63' . . 120.2 ?
C63' C64' O6' . . 118.6(16) ?
C63' C64' C65' . . 119.6(16) ?
C65' C64' O6' . . 121.6(15) ?
N4' C65' H65' . . 117.1 ?
C64' C65' N4' . . 125.7(15) ?
C64' C65' H65' . . 117.1 ?
C67' C66' C57' . . 131.0(12) ?
C67' C66' C71' . . 119.6(12) ?
C71' C66' C57' . . 109.4(12) ?
C66' C67' H67' . . 120.4 ?
C68' C67' C66' . . 119.1(13) ?
C68' C67' H67' . . 120.4 ?
C67' C68' H68' . . 119.4 ?
C67' C68' C69' . . 121.2(14) ?
C69' C68' H68' . . 119.4 ?
C68' C69' H69' . . 119.7 ?
C68' C69' C70' . . 120.7(13) ?
C70' C69' H69' . . 119.7 ?
C69' C70' H70' . . 120.8 ?
C71' C70' C69' . . 118.5(14) ?
C71' C70' H70' . . 120.8 ?
C66' C71' C72' . . 109.6(11) ?
C70' C71' C66' . . 120.9(14) ?
C70' C71' C72' . . 129.5(13) ?
C58' C72' C209 . . 110.9(11) ?
C58' C72' C215 . . 111.5(11) ?
C71' C72' C58' . . 101.8(11) ?
C71' C72' C209 . . 110.7(11) ?
C71' C72' C215 . . 112.1(11) ?
C215 C72' C209 . . 109.6(12) ?
C18' C73' H73A . . 108.4 ?
C18' C73' H73B . . 108.4 ?
H73A C73' H73B . . 107.5 ?
C74' C73' C18' . . 115.3(12) ?
C74' C73' H73A . . 108.4 ?
C74' C73' H73B . . 108.4 ?
C73' C74' H74A . . 107.6 ?
C73' C74' H74B . . 107.6 ?
C73' C74' C75' . . 118.8(14) ?
H74A C74' H74B . . 107.1 ?
C75' C74' H74A . . 107.6 ?
C75' C74' H74B . . 107.6 ?
C74' C75' H75A . . 108.5 ?
C74' C75' H75B . . 108.5 ?
H75A C75' H75B . . 107.5 ?
C76' C75' C74' . . 114.9(14) ?
C76' C75' H75A . . 108.5 ?
C76' C75' H75B . . 108.5 ?
C75' C76' H76A . . 108.9 ?
C75' C76' H76B . . 108.9 ?
C75' C76' C77' . . 113.4(16) ?
H76A C76' H76B . . 107.7 ?
C77' C76' H76A . . 108.9 ?
C77' C76' H76B . . 108.9 ?
C76' C77' H77A . . 109.6 ?
C76' C77' H77B . . 109.6 ?
H77A C77' H77B . . 108.1 ?
C78' C77' C76' . . 110.4(16) ?
C78' C77' H77A . . 109.6 ?
C78' C77' H77B . . 109.6 ?
C77' C78' H78A . . 109.5 ?
C77' C78' H78B . . 109.5 ?
C77' C78' H78C . . 109.5 ?
H78A C78' H78B . . 109.5 ?
H78A C78' H78C . . 109.5 ?
H78B C78' H78C . . 109.5 ?
C18' C79' H79C . . 106.6 ?
C18' C79' H79D . . 106.6 ?
C18' C79' H79A . . 109.1 ?
C18' C79' H79B . . 109.1 ?
C18' C79' C80' . . 112.3(15) ?
C18' C79' C80B . . 123.1(19) ?
H79C C79' H79D . . 106.5 ?
H79A C79' H79B . . 107.9 ?
C80' C79' H79A . . 109.1 ?
C80' C79' H79B . . 109.1 ?
C80B C79' H79C . . 106.6 ?
C80B C79' H79D . . 106.6 ?
H81C C81' H81D . . 104.3 ?
H81A C81' H81B . . 106.9 ?
C82' C81' H81C . . 100.6 ?
C82' C81' H81D . . 100.6 ?
C82' C81' H81A . . 107.4 ?
C82' C81' H81B . . 107.4 ?
C80' C81' H81A . . 107.4 ?
C80' C81' H81B . . 107.4 ?
C80' C81' C82' . . 120(2) ?
C80B C81' H81C . . 100.6 ?
C80B C81' H81D . . 100.6 ?
C80B C81' C82' . . 145(3) ?
C81' C82' H82A . . 106.0 ?
C81' C82' H82B . . 106.0 ?
H82A C82' H82B . . 106.3 ?
C83' C82' C81' . . 125(2) ?
C83' C82' H82A . . 106.0 ?
C83' C82' H82B . . 106.0 ?
C82' C83' H83A . . 111.8 ?
C82' C83' H83B . . 111.8 ?
H83A C83' H83B . . 109.5 ?
C84' C83' C82' . . 100(2) ?
C84' C83' H83A . . 111.8 ?
C84' C83' H83B . . 111.8 ?
C83' C84' H84A . . 109.5 ?
C83' C84' H84B . . 109.5 ?
C83' C84' H84C . . 109.5 ?
H84A C84' H84B . . 109.5 ?
H84A C84' H84C . . 109.5 ?
H84B C84' H84C . . 109.5 ?
C36' C85' H85A . . 108.3 ?
C36' C85' H85B . . 108.3 ?
C36' C85' C86' . . 115.9(12) ?
H85A C85' H85B . . 107.4 ?
C86' C85' H85A . . 108.3 ?
C86' C85' H85B . . 108.3 ?
C85' C86' H86A . . 108.2 ?
C85' C86' H86B . . 108.2 ?
H86A C86' H86B . . 107.4 ?
C87' C86' C85' . . 116.3(13) ?
C87' C86' H86A . . 108.2 ?
C87' C86' H86B . . 108.2 ?
C86' C87' H87A . . 108.5 ?
C86' C87' H87B . . 108.5 ?
H87A C87' H87B . . 107.5 ?
C88' C87' C86' . . 115.1(13) ?
C88' C87' H87A . . 108.5 ?
C88' C87' H87B . . 108.5 ?
C87' C88' H88A . . 108.4 ?
C87' C88' H88B . . 108.4 ?
C87' C88' C89' . . 115.6(14) ?
H88A C88' H88B . . 107.4 ?
C89' C88' H88A . . 108.4 ?
C89' C88' H88B . . 108.4 ?
C88' C89' H89A . . 108.7 ?
C88' C89' H89B . . 108.7 ?
H89A C89' H89B . . 107.6 ?
C90' C89' C88' . . 114.4(14) ?
C90' C89' H89A . . 108.7 ?
C90' C89' H89B . . 108.7 ?
C89' C90' H90A . . 109.5 ?
C89' C90' H90B . . 109.5 ?
C89' C90' H90C . . 109.5 ?
H90A C90' H90B . . 109.5 ?
H90A C90' H90C . . 109.5 ?
H90B C90' H90C . . 109.5 ?
C36' C91' H91A . . 108.8 ?
C36' C91' H91B . . 108.8 ?
H91A C91' H91B . . 107.7 ?
C92' C91' C36' . . 113.7(13) ?
C92' C91' H91A . . 108.8 ?
C92' C91' H91B . . 108.8 ?
C91' C92' H92A . . 107.5 ?
C91' C92' H92B . . 107.5 ?
H92A C92' H92B . . 107.0 ?
C93' C92' C91' . . 119.1(19) ?
C93' C92' H92A . . 107.5 ?
C93' C92' H92B . . 107.5 ?
C92' C93' H93A . . 108.0 ?
C92' C93' H93B . . 108.0 ?
C92' C93' C94' . . 117(2) ?
H93A C93' H93B . . 107.3 ?
C94' C93' H93A . . 108.0 ?
C94' C93' H93B . . 108.0 ?
C93' C94' H94A . . 109.0 ?
C93' C94' H94B . . 109.0 ?
C93' C94' C95' . . 113(2) ?
H94A C94' H94B . . 107.8 ?
C95' C94' H94A . . 109.0 ?
C95' C94' H94B . . 109.0 ?
C94' C95' H95A . . 110.2 ?
C94' C95' H95B . . 110.2 ?
H95A C95' H95B . . 108.5 ?
C96' C95' C94' . . 108(2) ?
C96' C95' H95A . . 110.2 ?
C96' C95' H95B . . 110.2 ?
C95' C96' H96A . . 109.5 ?
C95' C96' H96B . . 109.5 ?
C95' C96' H96C . . 109.5 ?
H96A C96' H96B . . 109.5 ?
H96A C96' H96C . . 109.5 ?
H96B C96' H96C . . 109.5 ?
C54' C97' H97A . . 108.7 ?
C54' C97' H97B . . 108.7 ?
H97A C97' H97B . . 107.6 ?
C98' C97' C54' . . 114.4(12) ?
C98' C97' H97A . . 108.7 ?
C98' C97' H97B . . 108.7 ?
C97' C98' H98A . . 109.4 ?
C97' C98' H98B . . 109.4 ?
C97' C98' C99' . . 111.1(13) ?
H98A C98' H98B . . 108.0 ?
C99' C98' H98A . . 109.4 ?
C99' C98' H98B . . 109.4 ?
C98' C99' H99A . . 109.2 ?
C98' C99' H99B . . 109.2 ?
H99A C99' H99B . . 107.9 ?
C200 C99' C98' . . 112.2(15) ?
C200 C99' H99A . . 109.2 ?
C200 C99' H99B . . 109.2 ?
C99' C200 H20A . . 110.2 ?
C99' C200 H20B . . 110.2 ?
C99' C200 C201 . . 107.5(18) ?
H20A C200 H20B . . 108.5 ?
C201 C200 H20A . . 110.2 ?
C201 C200 H20B . . 110.2 ?
C200 C201 H20C . . 108.7 ?
C200 C201 H20D . . 108.7 ?
C200 C201 C202 . . 114(2) ?
H20C C201 H20D . . 107.6 ?
C202 C201 H20C . . 108.7 ?
C202 C201 H20D . . 108.7 ?
C201 C202 H20E . . 109.5 ?
C201 C202 H20F . . 109.5 ?
C201 C202 H20G . . 109.5 ?
H20E C202 H20F . . 109.5 ?
H20E C202 H20G . . 109.5 ?
H20F C202 H20G . . 109.5 ?
C54' C203 H20H . . 108.9 ?
C54' C203 H20I . . 108.9 ?
C54' C203 H20J . . 105.6 ?
C54' C203 H20K . . 105.6 ?
H20H C203 H20I . . 107.7 ?
H20J C203 H20K . . 106.1 ?
C204 C203 C54' . . 113.5(13) ?
C204 C203 H20H . . 108.9 ?
C204 C203 H20I . . 108.9 ?
C20B C203 C54' . . 127(3) ?
C20B C203 H20J . . 105.6 ?
C20B C203 H20K . . 105.6 ?
H20N C206 H20O . . 110.5 ?
H20L C206 H20M . . 106.6 ?
C207 C206 H20N . . 113.1 ?
C207 C206 H20O . . 113.1 ?
C207 C206 H20L . . 106.6 ?
C207 C206 H20M . . 106.6 ?
C207 C206 C205 . . 123(2) ?
C207 C206 C20C . . 92.9(19) ?
C205 C206 H20L . . 106.6 ?
C205 C206 H20M . . 106.6 ?
C20C C206 H20N . . 113.1 ?
C20C C206 H20O . . 113.1 ?
C206 C207 H20P . . 109.4 ?
C206 C207 H20Q . . 109.4 ?
C206 C207 C208 . . 111.2(16) ?
H20P C207 H20Q . . 108.0 ?
C208 C207 H20P . . 109.4 ?
C208 C207 H20Q . . 109.4 ?
C207 C208 H20R . . 109.5 ?
C207 C208 H20S . . 109.5 ?
C207 C208 H20T . . 109.5 ?
H20R C208 H20S . . 109.5 ?
H20R C208 H20T . . 109.5 ?
H20S C208 H20T . . 109.5 ?
C72' C209 H20U . . 108.1 ?
C72' C209 H20V . . 108.1 ?
H20U C209 H20V . . 107.3 ?
C210 C209 C72' . . 116.8(11) ?
C210 C209 H20U . . 108.1 ?
C210 C209 H20V . . 108.1 ?
C209 C210 H21A . . 108.7 ?
C209 C210 H21B . . 108.7 ?
H21A C210 H21B . . 107.6 ?
C211 C210 C209 . . 114.1(12) ?
C211 C210 H21A . . 108.7 ?
C211 C210 H21B . . 108.7 ?
C210 C211 H21C . . 107.8 ?
C210 C211 H21D . . 107.8 ?
C210 C211 H21E . . 109.6 ?
C210 C211 H21F . . 109.6 ?
C210 C211 C21B . . 118.2(18) ?
C210 C211 C212 . . 110.1(17) ?
H21C C211 H21D . . 107.1 ?
H21E C211 H21F . . 108.1 ?
C21B C211 H21C . . 107.8 ?
C21B C211 H21D . . 107.8 ?
C212 C211 H21E . . 109.6 ?
C212 C211 H21F . . 109.6 ?
C72' C215 H21G . . 108.6 ?
C72' C215 H21H . . 108.6 ?
H21G C215 H21H . . 107.6 ?
C216 C215 C72' . . 114.7(13) ?
C216 C215 H21G . . 108.6 ?
C216 C215 H21H . . 108.6 ?
C215 C216 H21I . . 108.1 ?
C215 C216 H21J . . 108.1 ?
C215 C216 H21K . . 101.8 ?
C215 C216 H21L . . 101.8 ?
C215 C216 C217 . . 117(2) ?
C215 C216 C21E . . 141(2) ?
H21I C216 H21J . . 107.3 ?
H21K C216 H21L . . 104.7 ?
C217 C216 H21I . . 108.1 ?
C217 C216 H21J . . 108.1 ?
C21E C216 H21K . . 101.8 ?
C21E C216 H21L . . 101.8 ?
O3' C221 H22A . . 109.5 ?
O3' C221 H22B . . 109.5 ?
O3' C221 H22C . . 109.5 ?
H22A C221 H22B . . 109.5 ?
H22A C221 H22C . . 109.5 ?
H22B C221 H22C . . 109.5 ?
O4' C222 H22D . . 109.5 ?
O4' C222 H22E . . 109.5 ?
O4' C222 H22F . . 109.5 ?
H22D C222 H22E . . 109.5 ?
H22D C222 H22F . . 109.5 ?
H22E C222 H22F . . 109.5 ?
O5' C223 H22G . . 109.5 ?
O5' C223 H22H . . 109.5 ?
O5' C223 H22I . . 109.5 ?
H22G C223 H22H . . 109.5 ?
H22G C223 H22I . . 109.5 ?
H22H C223 H22I . . 109.5 ?
O6' C224 H22J . . 109.5 ?
O6' C224 H22K . . 109.5 ?
O6' C224 H22L . . 109.5 ?
H22J C224 H22K . . 109.5 ?
H22J C224 H22L . . 109.5 ?
H22K C224 H22L . . 109.5 ?
C211 C21B H21M . . 107.5 ?
C211 C21B H21N . . 107.5 ?
H21M C21B H21N . . 107.0 ?
C21C C21B C211 . . 119(2) ?
C21C C21B H21M . . 107.5 ?
C21C C21B H21N . . 107.5 ?
C21B C21C H21O . . 107.8 ?
C21B C21C H21P . . 107.8 ?
C21B C21C C21D . . 118(3) ?
H21O C21C H21P . . 107.1 ?
C21D C21C H21O . . 107.8 ?
C21D C21C H21P . . 107.8 ?
C21C C21D H21Q . . 109.5 ?
C21C C21D H21R . . 109.5 ?
C21C C21D H21S . . 109.5 ?
H21Q C21D H21R . . 109.5 ?
H21Q C21D H21S . . 109.5 ?
H21R C21D H21S . . 109.5 ?
C79' C80' C81' . . 104.2(18) ?
C79' C80' H80A . . 110.9 ?
C79' C80' H80B . . 110.9 ?
C81' C80' H80A . . 110.9 ?
C81' C80' H80B . . 110.9 ?
H80A C80' H80B . . 108.9 ?
C203 C204 H20W . . 109.1 ?
C203 C204 H20X . . 109.1 ?
H20W C204 H20X . . 107.9 ?
C205 C204 C203 . . 112.4(15) ?
C205 C204 H20W . . 109.1 ?
C205 C204 H20X . . 109.1 ?
C206 C205 C204 . . 102.5(15) ?
C206 C205 H20Y . . 111.3 ?
C206 C205 HF . . 111.3 ?
C204 C205 H20Y . . 111.3 ?
C204 C205 HF . . 111.3 ?
H20Y C205 HF . . 109.2 ?
C216 C217 H21T . . 109.6 ?
C216 C217 H21U . . 109.6 ?
C216 C217 C218 . . 110(3) ?
H21T C217 H21U . . 108.1 ?
C218 C217 H21T . . 109.6 ?
C218 C217 H21U . . 109.6 ?
C217 C218 H21V . . 107.0 ?
C217 C218 H21W . . 107.0 ?
C217 C218 C219 . . 121(4) ?
H21V C218 H21W . . 106.7 ?
C219 C218 H21V . . 107.0 ?
C219 C218 H21W . . 107.0 ?
C218 C219 H21X . . 111.0 ?
C218 C219 H21Y . . 111.0 ?
H21X C219 H21Y . . 109.0 ?
C220 C219 C218 . . 104(3) ?
C220 C219 H21X . . 111.0 ?
C220 C219 H21Y . . 111.0 ?
C219 C220 H22M . . 109.5 ?
C219 C220 H22N . . 109.5 ?
C219 C220 H22O . . 109.5 ?
H22M C220 H22N . . 109.5 ?
H22M C220 H22O . . 109.5 ?
H22N C220 H22O . . 109.5 ?
C203 C20B H20Z . . 109.8 ?
C203 C20B HG . . 109.8 ?
C203 C20B C20C . . 109(2) ?
H20Z C20B HG . . 108.2 ?
C20C C20B H20Z . . 109.8 ?
C20C C20B HG . . 109.8 ?
C206 C20C H20 . . 111.0 ?
C206 C20C HH . . 111.0 ?
C20B C20C C206 . . 104.0(19) ?
C20B C20C H20 . . 111.0 ?
C20B C20C HH . . 111.0 ?
H20 C20C HH . . 109.0 ?
C216 C21E H21Z . . 105.4 ?
C216 C21E HI . . 105.4 ?
C216 C21E C21F . . 127(3) ?
H21Z C21E HI . . 106.0 ?
C21F C21E H21Z . . 105.4 ?
C21F C21E HI . . 105.4 ?
C21E C21F H21 . . 95.0 ?
C21E C21F HJ . . 95.0 ?
H21 C21F HJ . . 103.2 ?
C21G C21F C21E . . 164(3) ?
C21G C21F H21 . . 95.0 ?
C21G C21F HJ . . 95.0 ?
C21F C21G H1 . . 106.0 ?
C21F C21G HK . . 106.0 ?
C21F C21G C21H . . 125(3) ?
H1 C21G HK . . 106.3 ?
C21H C21G H1 . . 106.0 ?
C21H C21G HK . . 106.0 ?
C21G C21H H2 . . 109.5 ?
C21G C21H HL . . 109.5 ?
C21G C21H HM . . 109.5 ?
H2 C21H HL . . 109.5 ?
H2 C21H HM . . 109.5 ?
HL C21H HM . . 109.5 ?
C79' C80B C81' . . 103(2) ?
C79' C80B H80C . . 111.1 ?
C79' C80B H80D . . 111.1 ?
C81' C80B H80C . . 111.1 ?
C81' C80B H80D . . 111.1 ?
H80C C80B H80D . . 109.1 ?
C211 C212 H3 . . 109.3 ?
C211 C212 HN . . 109.3 ?
H3 C212 HN . . 107.9 ?
C213 C212 C211 . . 112(2) ?
C213 C212 H3 . . 109.3 ?
C213 C212 HN . . 109.3 ?
C212 C213 H4 . . 109.2 ?
C212 C213 HO . . 109.2 ?
C212 C213 C214 . . 112(3) ?
H4 C213 HO . . 107.9 ?
C214 C213 H4 . . 109.2 ?
C214 C213 HO . . 109.2 ?
C213 C214 H5 . . 109.5 ?
C213 C214 HP . . 109.5 ?
C213 C214 HQ . . 109.5 ?
H5 C214 HP . . 109.5 ?
H5 C214 HQ . . 109.5 ?
HP C214 HQ . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ir1 N1 . 2.041(8) ?
Ir1 N01 . 2.237(9) ?
Ir1 N02 . 2.222(8) ?
Ir1 N2 . 2.045(9) ?
Ir1 C1 . 1.981(9) ?
Ir1 C19 . 1.986(10) ?
Ir2 N01 . 2.255(8) ?
Ir2 N02 . 2.211(8) ?
Ir2 N3 . 2.061(9) ?
Ir2 N4 . 2.015(9) ?
Ir2 C37 . 1.969(11) ?
Ir2 C55 . 1.990(11) ?
O1 C01 . 1.222(14) ?
O2 C02 . 1.190(14) ?
O3 C10 . 1.370(13) ?
O3 C121 . 1.411(14) ?
O4 C28 . 1.346(13) ?
O4 C122 . 1.439(13) ?
O5 C46 . 1.372(13) ?
O5 C123 . 1.436(14) ?
O6 C64 . 1.370(12) ?
O6 C124 . 1.438(13) ?
N1 C7 . 1.373(13) ?
N1 C11 . 1.361(13) ?
N01 C01 . 1.082(13) ?
N02 C02 . 1.155(13) ?
N2 C25 . 1.363(13) ?
N2 C29 . 1.373(13) ?
N3 C43 . 1.351(13) ?
N3 C47 . 1.353(13) ?
N4 C61 . 1.363(13) ?
N4 C65 . 1.339(13) ?
C1 C2 . 1.418(14) ?
C1 C6 . 1.411(14) ?
C2 H2A . 0.9500 ?
C2 C3 . 1.370(14) ?
C3 C4 . 1.386(15) ?
C3 C12 . 1.482(15) ?
C4 C5 . 1.387(15) ?
C4 C18 . 1.537(15) ?
C5 H5A . 0.9500 ?
C5 C6 . 1.410(14) ?
C6 C7 . 1.463(15) ?
C7 C8 . 1.386(15) ?
C8 H8 . 0.9500 ?
C8 C9 . 1.338(15) ?
C9 H9 . 0.9500 ?
C9 C10 . 1.399(16) ?
C10 C11 . 1.376(15) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.354(15) ?
C12 C17 . 1.391(15) ?
C13 H13 . 0.9500 ?
C13 C14 . 1.377(15) ?
C14 H14 . 0.9500 ?
C14 C15 . 1.406(16) ?
C15 H15 . 0.9500 ?
C15 C16 . 1.361(17) ?
C16 H16 . 0.9500 ?
C16 C17 . 1.379(15) ?
C17 C18 . 1.536(16) ?
C18 C73 . 1.533(11) ?
C18 C79 . 1.523(15) ?
C19 C20 . 1.390(14) ?
C19 C24 . 1.429(15) ?
C20 H6 . 0.9500 ?
C20 C21 . 1.379(14) ?
C21 C22 . 1.383(14) ?
C21 C30 . 1.502(14) ?
C22 C23 . 1.379(14) ?
C22 C36 . 1.546(14) ?
C23 H23 . 0.9500 ?
C23 C24 . 1.407(13) ?
C24 C25 . 1.469(14) ?
C25 C26 . 1.382(15) ?
C26 H26 . 0.9500 ?
C26 C27 . 1.376(14) ?
C27 H27 . 0.9500 ?
C27 C28 . 1.392(15) ?
C28 C29 . 1.367(15) ?
C29 H29 . 0.9500 ?
C30 C31 . 1.373(15) ?
C30 C35 . 1.405(14) ?
C31 H31 . 0.9500 ?
C31 C32 . 1.388(14) ?
C32 H32 . 0.9500 ?
C32 C33 . 1.365(14) ?
C33 H33 . 0.9500 ?
C33 C34 . 1.374(15) ?
C34 H34 . 0.9500 ?
C34 C35 . 1.398(14) ?
C35 C36 . 1.498(15) ?
C36 C85 . 1.541(10) ?
C36 C91 . 1.538(15) ?
C37 C38 . 1.394(14) ?
C37 C42 . 1.443(15) ?
C38 H38 . 0.9500 ?
C38 C39 . 1.411(14) ?
C39 C40 . 1.409(15) ?
C39 C48 . 1.439(15) ?
C40 C41 . 1.386(15) ?
C40 C54 . 1.525(15) ?
C41 H41 . 0.9500 ?
C41 C42 . 1.418(14) ?
C42 C43 . 1.453(15) ?
C43 C44 . 1.384(15) ?
C44 H44 . 0.9500 ?
C44 C45 . 1.367(15) ?
C45 H45 . 0.9500 ?
C45 C46 . 1.395(16) ?
C46 C47 . 1.386(16) ?
C47 H47 . 0.9500 ?
C48 C49 . 1.378(15) ?
C48 C53 . 1.394(16) ?
C49 H49 . 0.9500 ?
C49 C50 . 1.417(16) ?
C50 H50 . 0.9500 ?
C50 C51 . 1.380(17) ?
C51 H51 . 0.9500 ?
C51 C52 . 1.371(18) ?
C52 H52 . 0.9500 ?
C52 C53 . 1.366(16) ?
C53 C54 . 1.520(16) ?
C54 C97 . 1.531(11) ?
C54 C103 . 1.543(11) ?
C55 C56 . 1.439(14) ?
C55 C60 . 1.406(14) ?
C56 H56 . 0.9500 ?
C56 C57 . 1.397(14) ?
C57 C58 . 1.396(15) ?
C57 C66 . 1.470(14) ?
C58 C59 . 1.389(14) ?
C58 C72 . 1.521(15) ?
C59 H59 . 0.9500 ?
C59 C60 . 1.409(14) ?
C60 C61 . 1.471(14) ?
C61 C62 . 1.390(15) ?
C62 H62 . 0.9500 ?
C62 C63 . 1.382(15) ?
C63 H63 . 0.9500 ?
C63 C64 . 1.389(16) ?
C64 C65 . 1.371(15) ?
C65 H65 . 0.9500 ?
C66 C67 . 1.383(15) ?
C66 C71 . 1.399(15) ?
C67 H67 . 0.9500 ?
C67 C68 . 1.376(15) ?
C68 H68 . 0.9500 ?
C68 C69 . 1.396(17) ?
C69 H69 . 0.9500 ?
C69 C70 . 1.366(17) ?
C70 H70 . 0.9500 ?
C70 C71 . 1.374(15) ?
C71 C72 . 1.515(15) ?
C72 C109 . 1.532(11) ?
C72 C115 . 1.529(11) ?
C73 H73C . 0.9900 ?
C73 H73D . 0.9900 ?
C73 C74 . 1.523(11) ?
C74 H74C . 0.9900 ?
C74 H74D . 0.9900 ?
C74 C75 . 1.531(12) ?
C75 H75C . 0.9900 ?
C75 H75D . 0.9900 ?
C75 C76 . 1.518(14) ?
C76 H76C . 0.9900 ?
C76 H76D . 0.9900 ?
C76 C77 . 1.576(14) ?
C77 H77C . 0.9900 ?
C77 H77D . 0.9900 ?
C77 C78 . 1.534(15) ?
C78 H78D . 0.9800 ?
C78 H78E . 0.9800 ?
C78 H78F . 0.9800 ?
C79 H79E . 0.9900 ?
C79 H79F . 0.9900 ?
C79 C80 . 1.523(15) ?
C80 H80E . 0.9900 ?
C80 H80F . 0.9900 ?
C80 C81 . 1.519(16) ?
C81 H81E . 0.9900 ?
C81 H81F . 0.9900 ?
C81 C82 . 1.516(17) ?
C82 H82C . 0.9900 ?
C82 H82D . 0.9900 ?
C82 C83 . 1.512(18) ?
C83 H83C . 0.9900 ?
C83 H83D . 0.9900 ?
C83 C84 . 1.53(2) ?
C84 H84D . 0.9800 ?
C84 H84E . 0.9800 ?
C84 H84F . 0.9800 ?
C85 H85C . 0.9900 ?
C85 H85D . 0.9900 ?
C85 C86 . 1.506(10) ?
C86 H86C . 0.9900 ?
C86 H86D . 0.9900 ?
C86 C87 . 1.515(10) ?
C87 H87C . 0.9900 ?
C87 H87D . 0.9900 ?
C87 C88 . 1.529(11) ?
C88 H88C . 0.9900 ?
C88 H88D . 0.9900 ?
C88 C89 . 1.520(11) ?
C89 H89C . 0.9900 ?
C89 H89D . 0.9900 ?
C89 C90 . 1.527(11) ?
C90 H90D . 0.9800 ?
C90 H90E . 0.9800 ?
C90 H90F . 0.9800 ?
C91 H91C . 0.9900 ?
C91 H91D . 0.9900 ?
C91 C92 . 1.516(14) ?
C92 H92C . 0.9900 ?
C92 H92D . 0.9900 ?
C92 C93 . 1.541(14) ?
C93 H93C . 0.9900 ?
C93 H93D . 0.9900 ?
C93 C94 . 1.478(15) ?
C94 H94C . 0.9900 ?
C94 H94D . 0.9900 ?
C94 C95 . 1.525(18) ?
C95 H95C . 0.9900 ?
C95 H95D . 0.9900 ?
C95 C96 . 1.53(2) ?
C96 H96D . 0.9800 ?
C96 H96E . 0.9800 ?
C96 H96F . 0.9800 ?
C97 H97C . 0.9900 ?
C97 H97D . 0.9900 ?
C97 C98 . 1.526(11) ?
C98 H98C . 0.9900 ?
C98 H98D . 0.9900 ?
C98 C99 . 1.534(11) ?
C99 H99C . 0.9900 ?
C99 H99D . 0.9900 ?
C99 C100 . 1.478(12) ?
C100 H10C . 0.9900 ?
C100 H10D . 0.9900 ?
C100 H10A . 0.9900 ?
C100 H10B . 0.9900 ?
C100 C101 . 1.526(17) ?
C100 C126 . 1.526(12) ?
C103 H10E . 0.9900 ?
C103 H10F . 0.9900 ?
C103 C104 . 1.515(11) ?
C104 H10G . 0.9900 ?
C104 H10H . 0.9900 ?
C104 H10I . 0.9900 ?
C104 H10J . 0.9900 ?
C104 C105 . 1.526(11) ?
C104 C10A . 1.534(19) ?
C109 H10K . 0.9900 ?
C109 H10L . 0.9900 ?
C109 C110 . 1.517(11) ?
C110 H11A . 0.9900 ?
C110 H11B . 0.9900 ?
C110 C111 . 1.537(12) ?
C111 H11C . 0.9900 ?
C111 H11D . 0.9900 ?
C111 C112 . 1.534(11) ?
C112 H11E . 0.9900 ?
C112 H11F . 0.9900 ?
C112 C113 . 1.539(11) ?
C113 H11G . 0.9900 ?
C113 H11H . 0.9900 ?
C113 C114 . 1.545(12) ?
C114 H11I . 0.9800 ?
C114 H11J . 0.9800 ?
C114 H11K . 0.9800 ?
C115 H11L . 0.9900 ?
C115 H11M . 0.9900 ?
C115 C116 . 1.508(11) ?
C116 H11N . 0.9900 ?
C116 H11O . 0.9900 ?
C116 C117 . 1.507(11) ?
C117 H11P . 0.9900 ?
C117 H11Q . 0.9900 ?
C117 C118 . 1.514(11) ?
C118 H11R . 0.9900 ?
C118 H11S . 0.9900 ?
C118 C119 . 1.514(11) ?
C119 H11T . 0.9900 ?
C119 H11U . 0.9900 ?
C119 C120 . 1.507(11) ?
C120 H12A . 0.9800 ?
C120 H12B . 0.9800 ?
C120 H12C . 0.9800 ?
C121 H12D . 0.9800 ?
C121 H12E . 0.9800 ?
C121 H12F . 0.9800 ?
C122 H12G . 0.9800 ?
C122 H12H . 0.9800 ?
C122 H12I . 0.9800 ?
C123 H12J . 0.9800 ?
C123 H12K . 0.9800 ?
C123 H12L . 0.9800 ?
C124 H12M . 0.9800 ?
C124 H12N . 0.9800 ?
C124 H12O . 0.9800 ?
C101 H10M . 0.9900 ?
C101 H10N . 0.9900 ?
C101 C102 . 1.505(19) ?
C102 H10O . 0.9800 ?
C102 H10P . 0.9800 ?
C102 H10Q . 0.9800 ?
C105 H10R . 0.9900 ?
C105 H10S . 0.9900 ?
C105 C106 . 1.526(11) ?
C106 H10T . 0.9900 ?
C106 H10U . 0.9900 ?
C106 C107 . 1.531(16) ?
C107 H10V . 0.9900 ?
C107 H10W . 0.9900 ?
C107 C108 . 1.536(18) ?
C108 H10X . 0.9800 ?
C108 H10Y . 0.9800 ?
C108 H . 0.9800 ?
C10A H10Z . 0.9900 ?
C10A HA . 0.9900 ?
C10A C10B . 1.52(2) ?
C10B H10 . 0.9900 ?
C10B HB . 0.9900 ?
C10B C10C . 1.54(2) ?
C10C H7 . 0.9900 ?
C10C HC . 0.9900 ?
C10C C10D . 1.530(12) ?
C10D H12 . 0.9800 ?
C10D HD . 0.9800 ?
C10D HE . 0.9800 ?
C125 H12P . 0.9800 ?
C125 H12Q . 0.9800 ?
C125 H12R . 0.9800 ?
C125 C126 . 1.511(14) ?
C126 H12S . 0.9900 ?
C126 H12T . 0.9900 ?
Ir3 N01' . 2.243(10) ?
Ir3 N1' . 2.043(11) ?
Ir3 N2' . 1.943(13) ?
Ir3 N02' . 2.257(9) ?
Ir3 C1' . 2.013(12) ?
Ir3 C19' . 2.002(12) ?
Ir4 N01' . 2.289(10) ?
Ir4 N02' . 2.192(10) ?
Ir4 N3' . 2.067(11) ?
Ir4 N4' . 1.899(12) ?
Ir4 C37' . 1.990(12) ?
Ir4 C55' . 1.990(12) ?
O1' C01' . 1.191(17) ?
O2' C02' . 1.185(16) ?
O3' C10' . 1.393(16) ?
O3' C221 . 1.433(17) ?
O4' C28' . 1.404(18) ?
O4' C222 . 1.48(2) ?
O5' C46' . 1.353(16) ?
O5' C223 . 1.435(19) ?
O6' C64' . 1.394(16) ?
O6' C224 . 1.464(19) ?
N01' C01' . 1.068(16) ?
N1' C7' . 1.365(15) ?
N1' C11' . 1.334(15) ?
N2' C25' . 1.373(17) ?
N2' C29' . 1.404(17) ?
N02' C02' . 1.162(16) ?
N3' C43' . 1.328(16) ?
N3' C47' . 1.362(14) ?
N4' C61' . 1.365(16) ?
N4' C65' . 1.450(16) ?
C1' C2' . 1.392(16) ?
C1' C6' . 1.420(17) ?
C2' H2' . 0.9500 ?
C2' C3' . 1.352(15) ?
C3' C4' . 1.398(17) ?
C3' C12' . 1.471(16) ?
C4' C5' . 1.374(17) ?
C4' C18' . 1.540(17) ?
C5' H5' . 0.9500 ?
C5' C6' . 1.421(16) ?
C6' C7' . 1.448(16) ?
C7' C8' . 1.384(18) ?
C8' H8' . 0.9500 ?
C8' C9' . 1.374(17) ?
C9' H9' . 0.9500 ?
C9' C10' . 1.404(19) ?
C10' C11' . 1.384(19) ?
C11' H11' . 0.9500 ?
C12' C13' . 1.369(16) ?
C12' C17' . 1.419(16) ?
C13' H13' . 0.9500 ?
C13' C14' . 1.410(16) ?
C14' H14' . 0.9500 ?
C14' C15' . 1.363(17) ?
C15' H15' . 0.9500 ?
C15' C16' . 1.354(18) ?
C16' H16' . 0.9500 ?
C16' C17' . 1.388(17) ?
C17' C18' . 1.539(18) ?
C18' C73' . 1.601(19) ?
C18' C79' . 1.480(19) ?
C19' C20' . 1.379(16) ?
C19' C24' . 1.417(17) ?
C20' H20' . 0.9500 ?
C20' C21' . 1.415(17) ?
C21' C22' . 1.364(18) ?
C21' C30' . 1.483(18) ?
C22' C23' . 1.395(17) ?
C22' C36' . 1.522(18) ?
C23' H23' . 0.9500 ?
C23' C24' . 1.394(17) ?
C24' C25' . 1.446(17) ?
C25' C26' . 1.426(19) ?
C26' H26' . 0.9500 ?
C26' C27' . 1.429(19) ?
C27' H27' . 0.9500 ?
C27' C28' . 1.40(2) ?
C28' C29' . 1.35(2) ?
C29' H29' . 0.9500 ?
C30' C31' . 1.404(18) ?
C30' C35' . 1.450(18) ?
C31' H31' . 0.9500 ?
C31' C32' . 1.367(18) ?
C32' H32' . 0.9500 ?
C32' C33' . 1.360(18) ?
C33' H33' . 0.9500 ?
C33' C34' . 1.371(18) ?
C34' H34' . 0.9500 ?
C34' C35' . 1.374(18) ?
C35' C36' . 1.495(19) ?
C36' C85' . 1.516(17) ?
C36' C91' . 1.534(18) ?
C37' C38' . 1.432(16) ?
C37' C42' . 1.427(18) ?
C38' H38' . 0.9500 ?
C38' C39' . 1.392(16) ?
C39' C40' . 1.383(17) ?
C39' C48' . 1.478(16) ?
C40' C41' . 1.377(16) ?
C40' C54' . 1.530(17) ?
C41' H41' . 0.9500 ?
C41' C42' . 1.430(17) ?
C42' C43' . 1.444(17) ?
C43' C44' . 1.414(18) ?
C44' H44' . 0.9500 ?
C44' C45' . 1.390(18) ?
C45' H45' . 0.9500 ?
C45' C46' . 1.38(2) ?
C46' C47' . 1.33(2) ?
C47' H47' . 0.9500 ?
C48' C49' . 1.390(16) ?
C48' C53' . 1.382(16) ?
C49' H49' . 0.9500 ?
C49' C50' . 1.435(16) ?
C50' H50' . 0.9500 ?
C50' C51' . 1.331(17) ?
C51' H51' . 0.9500 ?
C51' C52' . 1.395(18) ?
C52' H52' . 0.9500 ?
C52' C53' . 1.382(16) ?
C53' C54' . 1.542(18) ?
C54' C97' . 1.564(18) ?
C54' C203 . 1.551(12) ?
C55' C56' . 1.404(15) ?
C55' C60' . 1.417(17) ?
C56' H56' . 0.9500 ?
C56' C57' . 1.383(15) ?
C57' C58' . 1.394(16) ?
C57' C66' . 1.453(16) ?
C58' C59' . 1.390(16) ?
C58' C72' . 1.525(17) ?
C59' H59' . 0.9500 ?
C59' C60' . 1.405(16) ?
C60' C61' . 1.479(17) ?
C61' C62' . 1.390(18) ?
C62' H62' . 0.9500 ?
C62' C63' . 1.403(17) ?
C63' H63' . 0.9500 ?
C63' C64' . 1.305(19) ?
C64' C65' . 1.377(19) ?
C65' H65' . 0.9500 ?
C66' C67' . 1.394(16) ?
C66' C71' . 1.413(17) ?
C67' H67' . 0.9500 ?
C67' C68' . 1.374(15) ?
C68' H68' . 0.9500 ?
C68' C69' . 1.389(17) ?
C69' H69' . 0.9500 ?
C69' C70' . 1.392(18) ?
C70' H70' . 0.9500 ?
C70' C71' . 1.382(16) ?
C71' C72' . 1.515(18) ?
C72' C209 . 1.551(17) ?
C72' C215 . 1.551(17) ?
C73' H73A . 0.9900 ?
C73' H73B . 0.9900 ?
C73' C74' . 1.482(19) ?
C74' H74A . 0.9900 ?
C74' H74B . 0.9900 ?
C74' C75' . 1.52(2) ?
C75' H75A . 0.9900 ?
C75' H75B . 0.9900 ?
C75' C76' . 1.497(19) ?
C76' H76A . 0.9900 ?
C76' H76B . 0.9900 ?
C76' C77' . 1.512(16) ?
C77' H77A . 0.9900 ?
C77' H77B . 0.9900 ?
C77' C78' . 1.487(16) ?
C78' H78A . 0.9800 ?
C78' H78B . 0.9800 ?
C78' H78C . 0.9800 ?
C79' H79C . 0.9900 ?
C79' H79D . 0.9900 ?
C79' H79A . 0.9900 ?
C79' H79B . 0.9900 ?
C79' C80' . 1.498(16) ?
C79' C80B . 1.548(19) ?
C81' H81C . 0.9900 ?
C81' H81D . 0.9900 ?
C81' H81A . 0.9900 ?
C81' H81B . 0.9900 ?
C81' C82' . 1.608(18) ?
C81' C80' . 1.576(18) ?
C81' C80B . 1.550(19) ?
C82' H82A . 0.9900 ?
C82' H82B . 0.9900 ?
C82' C83' . 1.546(18) ?
C83' H83A . 0.9900 ?
C83' H83B . 0.9900 ?
C83' C84' . 1.521(17) ?
C84' H84A . 0.9800 ?
C84' H84B . 0.9800 ?
C84' H84C . 0.9800 ?
C85' H85A . 0.9900 ?
C85' H85B . 0.9900 ?
C85' C86' . 1.528(18) ?
C86' H86A . 0.9900 ?
C86' H86B . 0.9900 ?
C86' C87' . 1.507(16) ?
C87' H87A . 0.9900 ?
C87' H87B . 0.9900 ?
C87' C88' . 1.506(18) ?
C88' H88A . 0.9900 ?
C88' H88B . 0.9900 ?
C88' C89' . 1.513(18) ?
C89' H89A . 0.9900 ?
C89' H89B . 0.9900 ?
C89' C90' . 1.504(19) ?
C90' H90A . 0.9800 ?
C90' H90B . 0.9800 ?
C90' H90C . 0.9800 ?
C91' H91A . 0.9900 ?
C91' H91B . 0.9900 ?
C91' C92' . 1.51(2) ?
C92' H92A . 0.9900 ?
C92' H92B . 0.9900 ?
C92' C93' . 1.41(2) ?
C93' H93A . 0.9900 ?
C93' H93B . 0.9900 ?
C93' C94' . 1.49(3) ?
C94' H94A . 0.9900 ?
C94' H94B . 0.9900 ?
C94' C95' . 1.62(3) ?
C95' H95A . 0.9900 ?
C95' H95B . 0.9900 ?
C95' C96' . 1.53(3) ?
C96' H96A . 0.9800 ?
C96' H96B . 0.9800 ?
C96' H96C . 0.9800 ?
C97' H97A . 0.9900 ?
C97' H97B . 0.9900 ?
C97' C98' . 1.510(18) ?
C98' H98A . 0.9900 ?
C98' H98B . 0.9900 ?
C98' C99' . 1.531(18) ?
C99' H99A . 0.9900 ?
C99' H99B . 0.9900 ?
C99' C200 . 1.51(2) ?
C200 H20A . 0.9900 ?
C200 H20B . 0.9900 ?
C200 C201 . 1.52(2) ?
C201 H20C . 0.9900 ?
C201 H20D . 0.9900 ?
C201 C202 . 1.65(3) ?
C202 H20E . 0.9800 ?
C202 H20F . 0.9800 ?
C202 H20G . 0.9800 ?
C203 H20H . 0.9900 ?
C203 H20I . 0.9900 ?
C203 H20J . 0.9900 ?
C203 H20K . 0.9900 ?
C203 C204 . 1.543(12) ?
C203 C20B . 1.520(19) ?
C206 H20N . 0.9900 ?
C206 H20O . 0.9900 ?
C206 H20L . 0.9900 ?
C206 H20M . 0.9900 ?
C206 C207 . 1.519(14) ?
C206 C205 . 1.529(12) ?
C206 C20C . 1.550(13) ?
C207 H20P . 0.9900 ?
C207 H20Q . 0.9900 ?
C207 C208 . 1.543(14) ?
C208 H20R . 0.9800 ?
C208 H20S . 0.9800 ?
C208 H20T . 0.9800 ?
C209 H20U . 0.9900 ?
C209 H20V . 0.9900 ?
C209 C210 . 1.511(17) ?
C210 H21A . 0.9900 ?
C210 H21B . 0.9900 ?
C210 C211 . 1.503(18) ?
C211 H21C . 0.9900 ?
C211 H21D . 0.9900 ?
C211 H21E . 0.9900 ?
C211 H21F . 0.9900 ?
C211 C21B . 1.538(18) ?
C211 C212 . 1.521(18) ?
C215 H21G . 0.9900 ?
C215 H21H . 0.9900 ?
C215 C216 . 1.50(2) ?
C216 H21I . 0.9900 ?
C216 H21J . 0.9900 ?
C216 H21K . 0.9900 ?
C216 H21L . 0.9900 ?
C216 C217 . 1.525(14) ?
C216 C21E . 1.529(14) ?
C221 H22A . 0.9800 ?
C221 H22B . 0.9800 ?
C221 H22C . 0.9800 ?
C222 H22D . 0.9800 ?
C222 H22E . 0.9800 ?
C222 H22F . 0.9800 ?
C223 H22G . 0.9800 ?
C223 H22H . 0.9800 ?
C223 H22I . 0.9800 ?
C224 H22J . 0.9800 ?
C224 H22K . 0.9800 ?
C224 H22L . 0.9800 ?
C21B H21M . 0.9900 ?
C21B H21N . 0.9900 ?
C21B C21C . 1.502(19) ?
C21C H21O . 0.9900 ?
C21C H21P . 0.9900 ?
C21C C21D . 1.530(19) ?
C21D H21Q . 0.9800 ?
C21D H21R . 0.9800 ?
C21D H21S . 0.9800 ?
C80' H80A . 0.9900 ?
C80' H80B . 0.9900 ?
C204 H20W . 0.9900 ?
C204 H20X . 0.9900 ?
C204 C205 . 1.533(12) ?
C205 H20Y . 0.9900 ?
C205 HF . 0.9900 ?
C217 H21T . 0.9900 ?
C217 H21U . 0.9900 ?
C217 C218 . 1.536(14) ?
C218 H21V . 0.9900 ?
C218 H21W . 0.9900 ?
C218 C219 . 1.541(19) ?
C219 H21X . 0.9900 ?
C219 H21Y . 0.9900 ?
C219 C220 . 1.513(19) ?
C220 H22M . 0.9800 ?
C220 H22N . 0.9800 ?
C220 H22O . 0.9800 ?
C20B H20Z . 0.9900 ?
C20B HG . 0.9900 ?
C20B C20C . 1.55(2) ?
C20C H20 . 0.9900 ?
C20C HH . 0.9900 ?
C21E H21Z . 0.9900 ?
C21E HI . 0.9900 ?
C21E C21F . 1.574(19) ?
C21F H21 . 0.9900 ?
C21F HJ . 0.9900 ?
C21F C21G . 1.523(14) ?
C21G H1 . 0.9900 ?
C21G HK . 0.9900 ?
C21G C21H . 1.528(14) ?
C21H H2 . 0.9800 ?
C21H HL . 0.9800 ?
C21H HM . 0.9800 ?
C80B H80C . 0.9900 ?
C80B H80D . 0.9900 ?
C212 H3 . 0.9900 ?
C212 HN . 0.9900 ?
C212 C213 . 1.496(19) ?
C213 H4 . 0.9900 ?
C213 HO . 0.9900 ?
C213 C214 . 1.528(19) ?
C214 H5 . 0.9800 ?
C214 HP . 0.9800 ?
C214 HQ . 0.9800 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Ir1 N1 C7 C6 . . . . -3.4(11) ?
Ir1 N1 C7 C8 . . . . 175.1(8) ?
Ir1 N1 C11 C10 . . . . -174.3(8) ?
Ir1 N2 C25 C24 . . . . -0.8(12) ?
Ir1 N2 C25 C26 . . . . 176.7(8) ?
Ir1 N2 C29 C28 . . . . -172.8(8) ?
Ir1 C1 C2 C3 . . . . -173.0(7) ?
Ir1 C1 C6 C5 . . . . 174.3(8) ?
Ir1 C1 C6 C7 . . . . -8.2(11) ?
Ir1 C19 C20 C21 . . . . -171.0(8) ?
Ir1 C19 C24 C23 . . . . 174.8(8) ?
Ir1 C19 C24 C25 . . . . -10.5(12) ?
Ir2 N3 C43 C42 . . . . 2.5(11) ?
Ir2 N3 C43 C44 . . . . -177.9(7) ?
Ir2 N3 C47 C46 . . . . 178.3(7) ?
Ir2 N4 C61 C60 . . . . 0.3(12) ?
Ir2 N4 C61 C62 . . . . 177.7(8) ?
Ir2 N4 C65 C64 . . . . -177.5(8) ?
Ir2 C37 C38 C39 . . . . -170.6(8) ?
Ir2 C37 C42 C41 . . . . 174.5(8) ?
Ir2 C37 C42 C43 . . . . -4.2(11) ?
Ir2 C55 C56 C57 . . . . -168.3(8) ?
Ir2 C55 C60 C59 . . . . 171.1(9) ?
Ir2 C55 C60 C61 . . . . -9.2(12) ?
O3 C10 C11 N1 . . . . -179.9(9) ?
O4 C28 C29 N2 . . . . 177.8(10) ?
O5 C46 C47 N3 . . . . -177.5(9) ?
O6 C64 C65 N4 . . . . -179.6(10) ?
N1 C7 C8 C9 . . . . 0.0(16) ?
N2 C25 C26 C27 . . . . -3.0(18) ?
N3 C43 C44 C45 . . . . -0.3(16) ?
N4 C61 C62 C63 . . . . -1.7(17) ?
C1 C2 C3 C4 . . . . -2.6(16) ?
C1 C2 C3 C12 . . . . 179.2(10) ?
C1 C6 C7 N1 . . . . 7.6(13) ?
C1 C6 C7 C8 . . . . -170.9(10) ?
C2 C1 C6 C5 . . . . -1.8(15) ?
C2 C1 C6 C7 . . . . 175.7(9) ?
C2 C3 C4 C5 . . . . 1.7(16) ?
C2 C3 C4 C18 . . . . -179.3(9) ?
C2 C3 C12 C13 . . . . -1(2) ?
C2 C3 C12 C17 . . . . 178.9(10) ?
C3 C4 C5 C6 . . . . -0.9(16) ?
C3 C4 C18 C17 . . . . 0.6(11) ?
C3 C4 C18 C73 . . . . -117.1(11) ?
C3 C4 C18 C79 . . . . 119.5(11) ?
C3 C12 C13 C14 . . . . 178.8(11) ?
C3 C12 C17 C16 . . . . -178.6(9) ?
C3 C12 C17 C18 . . . . -0.1(12) ?
C4 C3 C12 C13 . . . . -179.6(12) ?
C4 C3 C12 C17 . . . . 0.5(12) ?
C4 C5 C6 C1 . . . . 1.1(16) ?
C4 C5 C6 C7 . . . . -176.3(10) ?
C4 C18 C73 C74 . . . . 49.7(14) ?
C4 C18 C79 C80 . . . . -61.0(14) ?
C5 C4 C18 C17 . . . . 179.5(11) ?
C5 C4 C18 C73 . . . . 61.8(15) ?
C5 C4 C18 C79 . . . . -61.6(15) ?
C5 C6 C7 N1 . . . . -174.9(9) ?
C5 C6 C7 C8 . . . . 6.6(17) ?
C6 C1 C2 C3 . . . . 2.5(14) ?
C6 C7 C8 C9 . . . . 178.3(11) ?
C7 N1 C11 C10 . . . . -0.4(15) ?
C7 C8 C9 C10 . . . . -0.8(17) ?
C8 C9 C10 O3 . . . . -179.5(10) ?
C8 C9 C10 C11 . . . . 1.0(16) ?
C9 C10 C11 N1 . . . . -0.4(16) ?
C11 N1 C7 C6 . . . . -178.0(9) ?
C11 N1 C7 C8 . . . . 0.6(14) ?
C12 C3 C4 C5 . . . . -179.7(10) ?
C12 C3 C4 C18 . . . . -0.7(12) ?
C12 C13 C14 C15 . . . . -0.9(17) ?
C12 C17 C18 C4 . . . . -0.3(11) ?
C12 C17 C18 C73 . . . . 118.8(10) ?
C12 C17 C18 C79 . . . . -118.9(11) ?
C13 C12 C17 C16 . . . . 1.5(17) ?
C13 C12 C17 C18 . . . . -180.0(10) ?
C13 C14 C15 C16 . . . . 3.1(18) ?
C14 C15 C16 C17 . . . . -3.0(18) ?
C15 C16 C17 C12 . . . . 0.7(17) ?
C15 C16 C17 C18 . . . . -177.5(11) ?
C16 C17 C18 C4 . . . . 178.0(11) ?
C16 C17 C18 C73 . . . . -62.9(15) ?
C16 C17 C18 C79 . . . . 59.4(15) ?
C17 C12 C13 C14 . . . . -1.4(17) ?
C17 C18 C73 C74 . . . . -61.6(14) ?
C17 C18 C79 C80 . . . . 50.6(14) ?
C18 C4 C5 C6 . . . . -179.7(10) ?
C18 C73 C74 C75 . . . . 176.3(11) ?
C18 C79 C80 C81 . . . . 164.8(11) ?
C19 C20 C21 C22 . . . . -3.0(17) ?
C19 C20 C21 C30 . . . . 177.9(11) ?
C19 C24 C25 N2 . . . . 7.3(14) ?
C19 C24 C25 C26 . . . . -169.9(11) ?
C20 C19 C24 C23 . . . . 0.8(16) ?
C20 C19 C24 C25 . . . . 175.6(10) ?
C20 C21 C22 C23 . . . . 1.5(18) ?
C20 C21 C22 C36 . . . . -179.7(10) ?
C20 C21 C30 C31 . . . . 1(2) ?
C20 C21 C30 C35 . . . . -180.0(11) ?
C21 C22 C23 C24 . . . . 1.0(17) ?
C21 C22 C36 C35 . . . . -0.2(12) ?
C21 C22 C36 C85 . . . . -118.8(11) ?
C21 C22 C36 C91 . . . . 117.9(11) ?
C21 C30 C31 C32 . . . . 179.7(11) ?
C21 C30 C35 C34 . . . . -178.9(9) ?
C21 C30 C35 C36 . . . . -0.9(13) ?
C22 C21 C30 C31 . . . . -178.5(12) ?
C22 C21 C30 C35 . . . . 0.8(13) ?
C22 C23 C24 C19 . . . . -2.2(16) ?
C22 C23 C24 C25 . . . . -176.6(10) ?
C22 C36 C85 C86 . . . . 46.0(14) ?
C22 C36 C91 C92 . . . . -54.5(12) ?
C23 C22 C36 C35 . . . . 178.6(11) ?
C23 C22 C36 C85 . . . . 59.9(16) ?
C23 C22 C36 C91 . . . . -63.3(15) ?
C23 C24 C25 N2 . . . . -177.9(10) ?
C23 C24 C25 C26 . . . . 4.9(19) ?
C24 C19 C20 C21 . . . . 1.8(16) ?
C24 C25 C26 C27 . . . . 174.0(11) ?
C25 N2 C29 C28 . . . . 2.3(16) ?
C25 C26 C27 C28 . . . . 1.3(18) ?
C26 C27 C28 O4 . . . . -179.5(10) ?
C26 C27 C28 C29 . . . . 2.1(18) ?
C27 C28 C29 N2 . . . . -3.9(17) ?
C29 N2 C25 C24 . . . . -176.2(9) ?
C29 N2 C25 C26 . . . . 1.2(16) ?
C30 C21 C22 C23 . . . . -179.2(10) ?
C30 C21 C22 C36 . . . . -0.4(13) ?
C30 C31 C32 C33 . . . . -1.0(18) ?
C30 C35 C36 C22 . . . . 0.7(12) ?
C30 C35 C36 C85 . . . . 119.0(10) ?
C30 C35 C36 C91 . . . . -116.1(11) ?
C31 C30 C35 C34 . . . . 0.5(17) ?
C31 C30 C35 C36 . . . . 178.4(10) ?
C31 C32 C33 C34 . . . . 0.5(19) ?
C32 C33 C34 C35 . . . . 0.6(18) ?
C33 C34 C35 C30 . . . . -1.1(16) ?
C33 C34 C35 C36 . . . . -178.7(11) ?
C34 C35 C36 C22 . . . . 178.4(11) ?
C34 C35 C36 C85 . . . . -63.4(14) ?
C34 C35 C36 C91 . . . . 61.6(15) ?
C35 C30 C31 C32 . . . . 0.6(18) ?
C35 C36 C85 C86 . . . . -65.5(12) ?
C35 C36 C91 C92 . . . . 56.3(13) ?
C36 C22 C23 C24 . . . . -177.6(10) ?
C36 C85 C86 C87 . . . . 179.0(10) ?
C36 C91 C92 C93 . . . . 157.6(9) ?
C37 C38 C39 C40 . . . . -5.2(16) ?
C37 C38 C39 C48 . . . . 174.9(11) ?
C37 C42 C43 N3 . . . . 1.0(13) ?
C37 C42 C43 C44 . . . . -178.5(10) ?
C38 C37 C42 C41 . . . . 0.4(15) ?
C38 C37 C42 C43 . . . . -178.3(9) ?
C38 C39 C40 C41 . . . . 5.0(17) ?
C38 C39 C40 C54 . . . . -176.6(9) ?
C38 C39 C48 C49 . . . . -3(2) ?
C38 C39 C48 C53 . . . . 179.6(11) ?
C39 C40 C41 C42 . . . . -2.2(16) ?
C39 C40 C54 C53 . . . . -4.7(12) ?
C39 C40 C54 C97 . . . . -123.8(11) ?
C39 C40 C54 C103 . . . . 115.6(11) ?
C39 C48 C49 C50 . . . . -176.8(12) ?
C39 C48 C53 C52 . . . . 177.9(12) ?
C39 C48 C53 C54 . . . . -2.9(13) ?
C40 C39 C48 C49 . . . . 177.3(12) ?
C40 C39 C48 C53 . . . . -0.3(13) ?
C40 C41 C42 C37 . . . . -0.5(15) ?
C40 C41 C42 C43 . . . . 178.1(10) ?
C40 C54 C97 C98 . . . . 55.5(15) ?
C40 C54 C103 C104 . . . . -61.1(15) ?
C41 C40 C54 C53 . . . . 173.6(11) ?
C41 C40 C54 C97 . . . . 54.5(16) ?
C41 C40 C54 C103 . . . . -66.1(15) ?
C41 C42 C43 N3 . . . . -177.7(9) ?
C41 C42 C43 C44 . . . . 2.8(16) ?
C42 C37 C38 C39 . . . . 2.5(15) ?
C42 C43 C44 C45 . . . . 179.2(10) ?
C43 N3 C47 C46 . . . . -1.2(15) ?
C43 C44 C45 C46 . . . . -1.2(16) ?
C44 C45 C46 O5 . . . . 178.8(9) ?
C44 C45 C46 C47 . . . . 1.5(17) ?
C45 C46 C47 N3 . . . . -0.4(16) ?
C47 N3 C43 C42 . . . . -178.1(9) ?
C47 N3 C43 C44 . . . . 1.5(15) ?
C48 C39 C40 C41 . . . . -175.1(10) ?
C48 C39 C40 C54 . . . . 3.4(13) ?
C48 C49 C50 C51 . . . . 0(2) ?
C48 C53 C54 C40 . . . . 4.6(12) ?
C48 C53 C54 C97 . . . . 122.6(11) ?
C48 C53 C54 C103 . . . . -114.6(11) ?
C49 C48 C53 C52 . . . . 0.0(19) ?
C49 C48 C53 C54 . . . . 179.2(10) ?
C49 C50 C51 C52 . . . . 0(2) ?
C50 C51 C52 C53 . . . . 1(2) ?
C51 C52 C53 C48 . . . . -1(2) ?
C51 C52 C53 C54 . . . . -179.8(13) ?
C52 C53 C54 C40 . . . . -176.3(13) ?
C52 C53 C54 C97 . . . . -58.3(17) ?
C52 C53 C54 C103 . . . . 64.5(17) ?
C53 C48 C49 C50 . . . . 0.6(18) ?
C53 C54 C97 C98 . . . . -56.6(15) ?
C53 C54 C103 C104 . . . . 51.8(15) ?
C54 C40 C41 C42 . . . . 179.7(10) ?
C54 C97 C98 C99 . . . . 170.5(12) ?
C54 C103 C104 C105 . . . . 165.6(14) ?
C54 C103 C104 C10A . . . . -178(2) ?
C55 C56 C57 C58 . . . . -2.4(17) ?
C55 C56 C57 C66 . . . . 177.5(10) ?
C55 C60 C61 N4 . . . . 5.7(14) ?
C55 C60 C61 C62 . . . . -171.5(10) ?
C56 C55 C60 C59 . . . . -2.3(16) ?
C56 C55 C60 C61 . . . . 177.3(9) ?
C56 C57 C58 C59 . . . . -1.9(18) ?
C56 C57 C58 C72 . . . . 177.5(10) ?
C56 C57 C66 C67 . . . . 3(2) ?
C56 C57 C66 C71 . . . . -177.6(11) ?
C57 C58 C59 C60 . . . . 3.9(17) ?
C57 C58 C72 C71 . . . . 1.5(12) ?
C57 C58 C72 C109 . . . . -117.2(11) ?
C57 C58 C72 C115 . . . . 122.4(11) ?
C57 C66 C67 C68 . . . . 179.3(12) ?
C57 C66 C71 C70 . . . . 180.0(10) ?
C57 C66 C71 C72 . . . . -1.4(13) ?
C58 C57 C66 C67 . . . . -176.8(12) ?
C58 C57 C66 C71 . . . . 2.3(13) ?
C58 C59 C60 C55 . . . . -1.8(17) ?
C58 C59 C60 C61 . . . . 178.6(10) ?
C58 C72 C109 C110 . . . . 57.9(14) ?
C58 C72 C115 C116 . . . . -59.2(14) ?
C59 C58 C72 C71 . . . . -179.2(11) ?
C59 C58 C72 C109 . . . . 62.1(15) ?
C59 C58 C72 C115 . . . . -58.3(16) ?
C59 C60 C61 N4 . . . . -174.6(10) ?
C59 C60 C61 C62 . . . . 8.1(18) ?
C60 C55 C56 C57 . . . . 4.4(15) ?
C60 C61 C62 C63 . . . . 175.3(11) ?
C61 N4 C65 C64 . . . . -2.4(17) ?
C61 C62 C63 C64 . . . . 1.5(18) ?
C62 C63 C64 O6 . . . . -179.9(10) ?
C62 C63 C64 C65 . . . . -1.7(19) ?
C63 C64 C65 N4 . . . . 2.3(18) ?
C65 N4 C61 C60 . . . . -175.3(9) ?
C65 N4 C61 C62 . . . . 2.1(16) ?
C66 C57 C58 C59 . . . . 178.2(10) ?
C66 C57 C58 C72 . . . . -2.4(13) ?
C66 C67 C68 C69 . . . . 1.4(19) ?
C66 C71 C72 C58 . . . . 0.0(12) ?
C66 C71 C72 C109 . . . . 116.9(11) ?
C66 C71 C72 C115 . . . . -121.1(11) ?
C67 C66 C71 C70 . . . . -0.8(18) ?
C67 C66 C71 C72 . . . . 177.8(10) ?
C67 C68 C69 C70 . . . . -3(2) ?
C68 C69 C70 C71 . . . . 2(2) ?
C69 C70 C71 C66 . . . . -0.5(19) ?
C69 C70 C71 C72 . . . . -178.8(12) ?
C70 C71 C72 C58 . . . . 178.4(12) ?
C70 C71 C72 C109 . . . . -64.7(16) ?
C70 C71 C72 C115 . . . . 57.3(17) ?
C71 C66 C67 C68 . . . . 0.3(18) ?
C71 C72 C109 C110 . . . . -53.1(14) ?
C71 C72 C115 C116 . . . . 54.2(14) ?
C72 C58 C59 C60 . . . . -175.3(10) ?
C72 C109 C110 C111 . . . . -176.1(13) ?
C72 C115 C116 C117 . . . . 179.7(11) ?
C73 C18 C79 C80 . . . . 173.8(10) ?
C73 C74 C75 C76 . . . . 70(2) ?
C74 C75 C76 C77 . . . . -167.4(15) ?
C75 C76 C77 C78 . . . . -62(3) ?
C79 C18 C73 C74 . . . . 174.4(10) ?
C79 C80 C81 C82 . . . . -179.8(11) ?
C80 C81 C82 C83 . . . . 170.5(13) ?
C81 C82 C83 C84 . . . . -178.9(16) ?
C85 C36 C91 C92 . . . . -178.0(9) ?
C85 C86 C87 C88 . . . . 172.2(10) ?
C86 C87 C88 C89 . . . . -61.6(15) ?
C87 C88 C89 C90 . . . . -174.0(12) ?
C91 C36 C85 C86 . . . . 168.9(10) ?
C91 C92 C93 C94 . . . . 179.0(9) ?
C92 C93 C94 C95 . . . . 174.0(10) ?
C93 C94 C95 C96 . . . . -175.3(12) ?
C97 C54 C103 C104 . . . . 176.8(11) ?
C97 C98 C99 C100 . . . . 172.8(13) ?
C98 C99 C100 C101 . . . . 169(2) ?
C98 C99 C100 C126 . . . . -179(3) ?
C99 C100 C101 C102 . . . . 172(2) ?
C99 C100 C126 C125 . . . . -66(8) ?
C103 C54 C97 C98 . . . . 178.0(11) ?
C103 C104 C105 C106 . . . . -177.3(17) ?
C103 C104 C10A C10B . . . . 179(3) ?
C104 C105 C106 C107 . . . . 175(2) ?
C104 C10A C10B C10C . . . . 54(6) ?
C109 C72 C115 C116 . . . . 179.0(10) ?
C109 C110 C111 C112 . . . . -167.1(17) ?
C110 C111 C112 C113 . . . . -67(3) ?
C111 C112 C113 C114 . . . . -64(3) ?
C115 C72 C109 C110 . . . . -178.3(11) ?
C115 C116 C117 C118 . . . . -173.6(10) ?
C116 C117 C118 C119 . . . . 177.9(11) ?
C117 C118 C119 C120 . . . . -174.3(11) ?
C121 O3 C10 C9 . . . . 174.1(10) ?
C121 O3 C10 C11 . . . . -6.4(15) ?
C122 O4 C28 C27 . . . . 170.0(11) ?
C122 O4 C28 C29 . . . . -11.8(17) ?
C123 O5 C46 C45 . . . . 176.6(10) ?
C123 O5 C46 C47 . . . . -6.2(15) ?
C124 O6 C64 C63 . . . . 171.6(11) ?
C124 O6 C64 C65 . . . . -6.6(17) ?
C105 C106 C107 C108 . . . . -176(2) ?
C10A C10B C10C C10D . . . . -176(5) ?
Ir3 N1' C7' C6' . . . . -3.8(14) ?
Ir3 N1' C7' C8' . . . . 179.1(10) ?
Ir3 N1' C11' C10' . . . . -178.6(10) ?
Ir3 N2' C25' C24' . . . . 7.5(13) ?
Ir3 N2' C25' C26' . . . . -171.3(10) ?
Ir3 N2' C29' C28' . . . . 167.3(11) ?
Ir3 C1' C2' C3' . . . . 177.1(9) ?
Ir3 C1' C6' C5' . . . . -178.5(10) ?
Ir3 C1' C6' C7' . . . . 7.8(15) ?
Ir3 C19' C20' C21' . . . . 174.0(9) ?
Ir3 C19' C24' C23' . . . . -176.7(9) ?
Ir3 C19' C24' C25' . . . . 3.8(14) ?
Ir4 N3' C43' C42' . . . . 5.3(15) ?
Ir4 N3' C43' C44' . . . . -171.0(10) ?
Ir4 N3' C47' C46' . . . . 169.3(11) ?
Ir4 N4' C61' C60' . . . . -8.3(12) ?
Ir4 N4' C61' C62' . . . . 170.2(9) ?
Ir4 N4' C65' C64' . . . . -174.3(9) ?
Ir4 C37' C38' C39' . . . . 172.3(9) ?
Ir4 C37' C42' C41' . . . . -172.2(10) ?
Ir4 C37' C42' C43' . . . . 7.2(15) ?
Ir4 C55' C56' C57' . . . . 173.1(8) ?
Ir4 C55' C60' C59' . . . . -173.6(8) ?
Ir4 C55' C60' C61' . . . . 9.4(13) ?
O3' C10' C11' N1' . . . . 178.2(12) ?
O4' C28' C29' N2' . . . . -179.0(11) ?
O5' C46' C47' N3' . . . . 179.6(13) ?
O6' C64' C65' N4' . . . . 177.8(10) ?
N01' Ir4 N4' C61' . . . . -80.1(8) ?
N01' Ir4 N4' C65' . . . . 95.1(9) ?
N1' C7' C8' C9' . . . . -2(2) ?
N2' C25' C26' C27' . . . . 3(2) ?
N02' Ir4 N4' C61' . . . . -160.6(8) ?
N02' Ir4 N4' C65' . . . . 14.7(9) ?
N3' C43' C44' C45' . . . . 0(2) ?
N4' C61' C62' C63' . . . . 5.6(18) ?
C1' C2' C3' C4' . . . . -4(2) ?
C1' C2' C3' C12' . . . . -180.0(12) ?
C1' C6' C7' N1' . . . . -2.7(17) ?
C1' C6' C7' C8' . . . . 174.2(13) ?
C2' C1' C6' C5' . . . . -4.6(19) ?
C2' C1' C6' C7' . . . . -178.3(11) ?
C2' C3' C4' C5' . . . . 4(2) ?
C2' C3' C4' C18' . . . . 179.9(12) ?
C2' C3' C12' C13' . . . . -6(2) ?
C2' C3' C12' C17' . . . . 178.1(13) ?
C3' C4' C5' C6' . . . . -4(2) ?
C3' C4' C18' C17' . . . . 3.5(16) ?
C3' C4' C18' C73' . . . . -115.1(13) ?
C3' C4' C18' C79' . . . . 123.0(14) ?
C3' C12' C13' C14' . . . . -173.5(13) ?
C3' C12' C17' C16' . . . . 174.3(12) ?
C3' C12' C17' C18' . . . . 0.2(16) ?
C4' C3' C12' C13' . . . . 178.4(14) ?
C4' C3' C12' C17' . . . . 2.1(16) ?
C4' C5' C6' C1' . . . . 5(2) ?
C4' C5' C6' C7' . . . . 177.9(13) ?
C4' C18' C73' C74' . . . . 63.8(16) ?
C4' C18' C79' C80' . . . . -68(2) ?
C4' C18' C79' C80B . . . . -35(3) ?
C5' C4' C18' C17' . . . . 178.7(15) ?
C5' C4' C18' C73' . . . . 60(2) ?
C5' C4' C18' C79' . . . . -62(2) ?
C5' C6' C7' N1' . . . . -176.2(12) ?
C5' C6' C7' C8' . . . . 1(2) ?
C6' C1' C2' C3' . . . . 4.4(19) ?
C6' C7' C8' C9' . . . . -179.0(13) ?
C7' N1' C11' C10' . . . . -1.5(19) ?
C7' C8' C9' C10' . . . . 3(2) ?
C8' C9' C10' O3' . . . . -179.1(12) ?
C8' C9' C10' C11' . . . . -2(2) ?
C9' C10' C11' N1' . . . . 2(2) ?
C11' N1' C7' C6' . . . . 178.8(11) ?
C11' N1' C7' C8' . . . . 1.6(18) ?
C12' C3' C4' C5' . . . . -179.2(13) ?
C12' C3' C4' C18' . . . . -3.6(16) ?
C12' C13' C14' C15' . . . . -6(2) ?
C12' C17' C18' C4' . . . . -2.1(16) ?
C12' C17' C18' C73' . . . . 116.3(13) ?
C12' C17' C18' C79' . . . . -122.3(13) ?
C13' C12' C17' C16' . . . . -2(2) ?
C13' C12' C17' C18' . . . . -176.6(12) ?
C13' C14' C15' C16' . . . . 9(2) ?
C14' C15' C16' C17' . . . . -9(2) ?
C15' C16' C17' C12' . . . . 6(2) ?
C15' C16' C17' C18' . . . . 178.4(15) ?
C16' C17' C18' C4' . . . . -175.4(15) ?
C16' C17' C18' C73' . . . . -57(2) ?
C16' C17' C18' C79' . . . . 64(2) ?
C17' C12' C13' C14' . . . . 2(2) ?
C17' C18' C73' C74' . . . . -48.1(16) ?
C17' C18' C79' C80' . . . . 45(2) ?
C17' C18' C79' C80B . . . . 78(3) ?
C18' C4' C5' C6' . . . . -179.2(13) ?
C18' C73' C74' C75' . . . . -148.1(13) ?
C18' C79' C80' C81' . . . . -173.4(18) ?
C18' C79' C80B C81' . . . . -149(2) ?
C19' C20' C21' C22' . . . . 0(2) ?
C19' C20' C21' C30' . . . . -177.0(12) ?
C19' C24' C25' N2' . . . . -7.1(15) ?
C19' C24' C25' C26' . . . . 171.6(12) ?
C20' C19' C24' C23' . . . . -2.3(18) ?
C20' C19' C24' C25' . . . . 178.1(11) ?
C20' C21' C22' C23' . . . . 0(2) ?
C20' C21' C22' C36' . . . . -179.9(12) ?
C20' C21' C30' C31' . . . . 4(3) ?
C20' C21' C30' C35' . . . . 178.8(12) ?
C21' C22' C23' C24' . . . . -2.2(19) ?
C21' C22' C36' C35' . . . . 2.3(15) ?
C21' C22' C36' C85' . . . . -118.2(14) ?
C21' C22' C36' C91' . . . . 119.7(13) ?
C21' C30' C31' C32' . . . . 174.6(14) ?
C21' C30' C35' C34' . . . . 179.8(12) ?
C21' C30' C35' C36' . . . . 0.4(16) ?
C22' C21' C30' C31' . . . . -173.5(16) ?
C22' C21' C30' C35' . . . . 1.1(16) ?
C22' C23' C24' C19' . . . . 3.1(19) ?
C22' C23' C24' C25' . . . . -177.3(11) ?
C22' C36' C85' C86' . . . . 56.3(17) ?
C22' C36' C91' C92' . . . . -60.3(18) ?
C23' C22' C36' C35' . . . . -178.2(14) ?
C23' C22' C36' C85' . . . . 61.4(19) ?
C23' C22' C36' C91' . . . . -60.8(19) ?
C23' C24' C25' N2' . . . . 173.3(11) ?
C23' C24' C25' C26' . . . . -8(2) ?
C24' C19' C20' C21' . . . . 0.6(17) ?
C24' C25' C26' C27' . . . . -175.6(12) ?
C25' N2' C29' C28' . . . . 0.0(19) ?
C25' C26' C27' C28' . . . . 0(2) ?
C26' C27' C28' O4' . . . . 179.2(11) ?
C26' C27' C28' C29' . . . . -2(2) ?
C27' C28' C29' N2' . . . . 2(2) ?
C29' N2' C25' C24' . . . . 176.1(10) ?
C29' N2' C25' C26' . . . . -2.7(17) ?
C30' C21' C22' C23' . . . . 178.2(11) ?
C30' C21' C22' C36' . . . . -2.2(16) ?
C30' C31' C32' C33' . . . . 4(2) ?
C30' C35' C36' C22' . . . . -1.5(15) ?
C30' C35' C36' C85' . . . . 117.7(13) ?
C30' C35' C36' C91' . . . . -119.6(13) ?
C31' C30' C35' C34' . . . . -5(2) ?
C31' C30' C35' C36' . . . . 176.1(12) ?
C31' C32' C33' C34' . . . . -4(2) ?
C32' C33' C34' C35' . . . . 0(2) ?
C33' C34' C35' C30' . . . . 4(2) ?
C33' C34' C35' C36' . . . . -176.3(15) ?
C34' C35' C36' C22' . . . . 179.1(15) ?
C34' C35' C36' C85' . . . . -62(2) ?
C34' C35' C36' C91' . . . . 61(2) ?
C35' C30' C31' C32' . . . . 0(2) ?
C35' C36' C85' C86' . . . . -57.8(17) ?
C35' C36' C91' C92' . . . . 52.2(19) ?
C36' C22' C23' C24' . . . . 178.3(12) ?
C36' C85' C86' C87' . . . . -177.3(12) ?
C36' C91' C92' C93' . . . . -176.2(19) ?
C37' Ir4 N4' C61' . . . . 105.2(9) ?
C37' Ir4 N4' C65' . . . . -79.6(10) ?
C37' C38' C39' C40' . . . . 0(2) ?
C37' C38' C39' C48' . . . . -178.0(12) ?
C37' C42' C43' N3' . . . . -8.3(18) ?
C37' C42' C43' C44' . . . . 167.8(13) ?
C38' C37' C42' C41' . . . . 4.2(19) ?
C38' C37' C42' C43' . . . . -176.5(12) ?
C38' C39' C40' C41' . . . . 2(2) ?
C38' C39' C40' C54' . . . . -174.6(12) ?
C38' C39' C48' C49' . . . . -9(2) ?
C38' C39' C48' C53' . . . . 175.7(13) ?
C39' C40' C41' C42' . . . . -2(2) ?
C39' C40' C54' C53' . . . . -3.6(14) ?
C39' C40' C54' C97' . . . . -119.5(13) ?
C39' C40' C54' C203 . . . . 114.9(13) ?
C39' C48' C49' C50' . . . . -174.1(13) ?
C39' C48' C53' C52' . . . . 177.2(12) ?
C39' C48' C53' C54' . . . . 0.4(16) ?
C40' C39' C48' C49' . . . . 172.9(13) ?
C40' C39' C48' C53' . . . . -2.8(15) ?
C40' C41' C42' C37' . . . . -2(2) ?
C40' C41' C42' C43' . . . . 179.0(12) ?
C40' C54' C97' C98' . . . . 61.1(16) ?
C40' C54' C203 C204 . . . . -44(2) ?
C40' C54' C203 C20B . . . . -64(3) ?
C41' C40' C54' C53' . . . . 179.8(13) ?
C41' C40' C54' C97' . . . . 63.9(18) ?
C41' C40' C54' C203 . . . . -61.7(19) ?
C41' C42' C43' N3' . . . . 171.0(12) ?
C41' C42' C43' C44' . . . . -13(2) ?
C42' C37' C38' C39' . . . . -3.4(19) ?
C42' C43' C44' C45' . . . . -176.3(14) ?
C43' N3' C47' C46' . . . . -1(2) ?
C43' C44' C45' C46' . . . . 1(2) ?
C44' C45' C46' O5' . . . . -180.0(13) ?
C44' C45' C46' C47' . . . . -2(3) ?
C45' C46' C47' N3' . . . . 2(2) ?
C47' N3' C43' C42' . . . . 176.6(11) ?
C47' N3' C43' C44' . . . . 0(2) ?
C48' C39' C40' C41' . . . . -179.1(12) ?
C48' C39' C40' C54' . . . . 4.0(15) ?
C48' C49' C50' C51' . . . . -2.4(19) ?
C48' C53' C54' C40' . . . . 1.8(15) ?
C48' C53' C54' C97' . . . . 118.9(13) ?
C48' C53' C54' C203 . . . . -116.6(13) ?
C49' C48' C53' C52' . . . . 1(2) ?
C49' C48' C53' C54' . . . . -175.7(12) ?
C49' C50' C51' C52' . . . . 2(2) ?
C50' C51' C52' C53' . . . . 1(2) ?
C51' C52' C53' C48' . . . . -2(2) ?
C51' C52' C53' C54' . . . . 174.2(13) ?
C52' C53' C54' C40' . . . . -174.7(14) ?
C52' C53' C54' C97' . . . . -57.6(18) ?
C52' C53' C54' C203 . . . . 66.9(18) ?
C53' C48' C49' C50' . . . . 1.1(19) ?
C53' C54' C97' C98' . . . . -49.1(15) ?
C53' C54' C203 C204 . . . . 67.8(19) ?
C53' C54' C203 C20B . . . . 48(3) ?
C54' C40' C41' C42' . . . . 174.8(12) ?
C54' C97' C98' C99' . . . . -174.4(12) ?
C54' C203 C204 C205 . . . . 175(2) ?
C54' C203 C20B C20C . . . . 103(4) ?
C55' Ir4 N4' C61' . . . . 11.0(8) ?
C55' Ir4 N4' C65' . . . . -173.8(10) ?
C55' C56' C57' C58' . . . . 0.5(17) ?
C55' C56' C57' C66' . . . . -179.1(11) ?
C55' C60' C61' N4' . . . . -1.4(14) ?
C55' C60' C61' C62' . . . . -179.8(11) ?
C56' C55' C60' C59' . . . . 3.3(17) ?
C56' C55' C60' C61' . . . . -173.7(10) ?
C56' C57' C58' C59' . . . . 2.3(17) ?
C56' C57' C58' C72' . . . . -175.7(10) ?
C56' C57' C66' C67' . . . . -1(2) ?
C56' C57' C66' C71' . . . . 176.6(11) ?
C57' C58' C59' C60' . . . . -2.2(16) ?
C57' C58' C72' C71' . . . . -3.3(13) ?
C57' C58' C72' C209 . . . . -121.1(12) ?
C57' C58' C72' C215 . . . . 116.5(12) ?
C57' C66' C67' C68' . . . . 179.9(11) ?
C57' C66' C71' C70' . . . . -179.0(11) ?
C57' C66' C71' C72' . . . . 1.0(14) ?
C58' C57' C66' C67' . . . . 178.9(12) ?
C58' C57' C66' C71' . . . . -3.1(13) ?
C58' C59' C60' C55' . . . . -0.6(17) ?
C58' C59' C60' C61' . . . . 176.2(10) ?
C58' C72' C209 C210 . . . . 53.8(16) ?
C58' C72' C215 C216 . . . . -53.0(18) ?
C59' C58' C72' C71' . . . . 179.0(11) ?
C59' C58' C72' C209 . . . . 61.2(16) ?
C59' C58' C72' C215 . . . . -61.2(17) ?
C59' C60' C61' N4' . . . . -178.4(10) ?
C59' C60' C61' C62' . . . . 3.2(19) ?
C60' C55' C56' C57' . . . . -3.2(16) ?
C60' C61' C62' C63' . . . . -176.2(11) ?
C61' N4' C65' C64' . . . . 1.4(16) ?
C61' C62' C63' C64' . . . . -0.2(18) ?
C62' C63' C64' O6' . . . . -178.4(10) ?
C62' C63' C64' C65' . . . . -3.9(19) ?
C63' C64' C65' N4' . . . . 3(2) ?
C65' N4' C61' C60' . . . . 175.8(9) ?
C65' N4' C61' C62' . . . . -5.8(15) ?
C66' C57' C58' C59' . . . . -178.0(10) ?
C66' C57' C58' C72' . . . . 4.0(13) ?
C66' C67' C68' C69' . . . . -3.0(17) ?
C66' C71' C72' C58' . . . . 1.3(13) ?
C66' C71' C72' C209 . . . . 119.3(12) ?
C66' C71' C72' C215 . . . . -118.0(12) ?
C67' C66' C71' C70' . . . . -0.7(18) ?
C67' C66' C71' C72' . . . . 179.2(11) ?
C67' C68' C69' C70' . . . . 2.7(19) ?
C68' C69' C70' C71' . . . . -1.4(19) ?
C69' C70' C71' C66' . . . . 0.4(19) ?
C69' C70' C71' C72' . . . . -179.6(13) ?
C70' C71' C72' C58' . . . . -178.7(12) ?
C70' C71' C72' C209 . . . . -60.8(18) ?
C70' C71' C72' C215 . . . . 62.0(18) ?
C71' C66' C67' C68' . . . . 2.0(17) ?
C71' C72' C209 C210 . . . . -58.5(16) ?
C71' C72' C215 C216 . . . . 60.5(18) ?
C72' C58' C59' C60' . . . . 175.4(11) ?
C72' C209 C210 C211 . . . . -179.0(12) ?
C72' C215 C216 C217 . . . . 180(2) ?
C72' C215 C216 C21E . . . . 145(4) ?
C73' C18' C79' C80' . . . . 168.3(15) ?
C73' C18' C79' C80B . . . . -159(3) ?
C73' C74' C75' C76' . . . . 69(2) ?
C74' C75' C76' C77' . . . . 83(2) ?
C75' C76' C77' C78' . . . . -174.6(14) ?
C79' C18' C73' C74' . . . . -171.6(13) ?
C81' C82' C83' C84' . . . . 172(3) ?
C82' C81' C80' C79' . . . . 82(3) ?
C82' C81' C80B C79' . . . . 26(8) ?
C85' C36' C91' C92' . . . . 176.7(14) ?
C85' C86' C87' C88' . . . . 176.7(12) ?
C86' C87' C88' C89' . . . . -170.1(13) ?
C87' C88' C89' C90' . . . . 173.9(14) ?
C91' C36' C85' C86' . . . . 179.3(12) ?
C91' C92' C93' C94' . . . . 174(2) ?
C92' C93' C94' C95' . . . . -78(3) ?
C93' C94' C95' C96' . . . . -165(2) ?
C97' C54' C203 C204 . . . . -169.1(16) ?
C97' C54' C203 C20B . . . . 171(2) ?
C97' C98' C99' C200 . . . . -174.6(14) ?
C98' C99' C200 C201 . . . . 79(2) ?
C99' C200 C201 C202 . . . . 64(2) ?
C203 C54' C97' C98' . . . . -173.4(12) ?
C203 C204 C205 C206 . . . . -173.3(19) ?
C203 C20B C20C C206 . . . . 174(3) ?
C207 C206 C205 C204 . . . . 95(3) ?
C207 C206 C20C C20B . . . . 171(4) ?
C209 C72' C215 C216 . . . . -176.2(13) ?
C209 C210 C211 C21B . . . . -164.6(17) ?
C209 C210 C211 C212 . . . . 164.3(19) ?
C210 C211 C21B C21C . . . . -72(4) ?
C210 C211 C212 C213 . . . . -169(3) ?
C211 C21B C21C C21D . . . . 175(3) ?
C211 C212 C213 C214 . . . . -168(3) ?
C215 C72' C209 C210 . . . . 177.4(12) ?
C215 C216 C217 C218 . . . . -164(3) ?
C215 C216 C21E C21F . . . . -175(3) ?
C216 C217 C218 C219 . . . . 85(5) ?
C216 C21E C21F C21G . . . . 152(12) ?
C221 O3' C10' C9' . . . . -175.9(13) ?
C221 O3' C10' C11' . . . . 8(2) ?
C222 O4' C28' C27' . . . . -167.4(12) ?
C222 O4' C28' C29' . . . . 14(2) ?
C223 O5' C46' C45' . . . . -178.3(14) ?
C223 O5' C46' C47' . . . . 4(2) ?
C224 O6' C64' C63' . . . . -179.6(12) ?
C224 O6' C64' C65' . . . . 6.0(18) ?
C80' C81' C82' C83' . . . . 161(3) ?
C205 C206 C207 C208 . . . . 161(2) ?
C217 C218 C219 C220 . . . . 163(4) ?
C20C C206 C207 C208 . . . . -170(3) ?
C21E C21F C21G C21H . . . . -146(12) ?
C80B C81' C82' C83' . . . . -176(5) ?
_cod_database_fobs_code 2243350