#------------------------------------------------------------------------------
#$Date: 2024-01-06 11:53:54 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/76/7247689.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7247689
loop_
_publ_author_name
'Atceken, Nurunnisa'
'Hemingway, Jack'
'Bull, Craig L.'
'Liu, Xiaojiao'
'Michalchuk, Adam A. L.'
'Konar, Sumit'
'Morrison, Carole A.'
'Pulham, Colin R.'
_publ_section_title
;
High-pressure structural studies and pressure-induced sensitisation of
3,4,5-trinitro-1H-pyrazole.
;
_journal_issue 46
_journal_name_full 'Physical chemistry chemical physics : PCCP'
_journal_page_first 31646
_journal_page_last 31654
_journal_paper_doi 10.1039/d3cp04526a
_journal_volume 25
_journal_year 2023
_chemical_formula_moiety '6(C3 H N5 O6)'
_chemical_formula_sum 'C18 H6 N30 O36'
_chemical_formula_weight 1218.53
_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 difmap
_atom_sites_solution_primary dual
_audit_block_doi 10.5517/ccdc.csd.cc29gp1j
_audit_creation_date 2021-12-16
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2021-12-16 deposited with the CCDC. 2023-11-08 downloaded from the CCDC.
;
_cell_angle_alpha 90
_cell_angle_beta 92.113(8)
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 14.815(2)
_cell_length_b 8.0553(13)
_cell_length_c 16.9050(19)
_cell_measurement_reflns_used 1840
_cell_measurement_temperature 298.0
_cell_measurement_theta_max 25.19
_cell_measurement_theta_min 2.75
_cell_volume 2016.1(5)
_computing_cell_refinement 'SAINT V8.40A (?, 2016)'
_computing_data_reduction 'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature 298.0
_diffrn_measured_fraction_theta_full 0.596
_diffrn_measured_fraction_theta_max 0.596
_diffrn_measurement_device_type 'Bruker APEX-II CCD'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0636
_diffrn_reflns_av_unetI/netI 0.0610
_diffrn_reflns_Laue_measured_fraction_full 0.596
_diffrn_reflns_Laue_measured_fraction_max 0.596
_diffrn_reflns_limit_h_max 15
_diffrn_reflns_limit_h_min -15
_diffrn_reflns_limit_k_max 7
_diffrn_reflns_limit_k_min -7
_diffrn_reflns_limit_l_max 18
_diffrn_reflns_limit_l_min -18
_diffrn_reflns_number 10884
_diffrn_reflns_point_group_measured_fraction_full 0.596
_diffrn_reflns_point_group_measured_fraction_max 0.596
_diffrn_reflns_theta_full 23.504
_diffrn_reflns_theta_max 23.504
_diffrn_reflns_theta_min 2.411
_diffrn_source_current 1.4
_diffrn_source_power 0.07
_diffrn_source_voltage 50.0
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 0.195
_exptl_absorpt_correction_T_max 0.7454
_exptl_absorpt_correction_T_min 0.6616
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0780 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.8876.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour 'clear colourless'
_exptl_crystal_colour_lustre clear
_exptl_crystal_colour_primary colourless
_exptl_crystal_density_diffrn 2.007
_exptl_crystal_description block
_exptl_crystal_F_000 1224
_refine_diff_density_max 0.197
_refine_diff_density_min -0.218
_refine_diff_density_rms 0.046
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.053
_refine_ls_hydrogen_treatment refall
_refine_ls_matrix_type full
_refine_ls_number_parameters 391
_refine_ls_number_reflns 1775
_refine_ls_number_restraints 306
_refine_ls_restrained_S_all 0.973
_refine_ls_R_factor_all 0.0833
_refine_ls_R_factor_gt 0.0488
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+2.9315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1193
_refine_ls_wR_factor_ref 0.1407
_reflns_Friedel_coverage 0.000
_reflns_number_gt 1214
_reflns_number_total 1775
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file d3cp04526a2.cif
_cod_data_source_block 2tnp_p03_p
_cod_depositor_comments
'Adding full bibliography for 7247689--7247697.cif.'
_cod_original_cell_volume 2016.0(5)
_cod_database_code 7247689
_shelx_shelxl_version_number 2018/3
_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.
;
_olex2_refinement_description
;
1. Rigid body (RIGU) restrains
All non-hydrogen atoms
with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
;
_shelx_res_file
;
TITL 2tnp_p03_p_a.res in P2(1)/c
2tnp_p03_p.res
created by SHELXL-2018/3 at 13:43:34 on 16-Dec-2021
REM Old TITL 2TNP_P03_P in P2(1)/c
REM SHELXT solution in P2(1)/c: R1 0.209, Rweak 0.005, Alpha 0.118
REM 0.392 for 92 systematic absences, Orientation as input
REM Formula found by SHELXT: C32 N O9
CELL 0.71073 14.8148 8.0553 16.905 90 92.113 90
ZERR 2 0.002 0.0013 0.0019 0 0.008 0
LATT 1
SYMM -X,0.5+Y,0.5-Z
SFAC C H N O
UNIT 36 12 60 72
RIGU
L.S. 10
PLAN 5
TEMP 24.85
CONF
BOND
list 4
MORE -1
BOND $H
fmap 2 53
acta
OMIT -1 1 8
OMIT -7 1 2
OMIT -4 3 3
OMIT -5 3 1
OMIT -6 2 3
OMIT 6 1 4
OMIT 7 1 1
OMIT 1 1 8
OMIT -2 2 7
OMIT 1 2 7
OMIT -1 2 7
REM
REM
REM
WGHT 0.059800 2.931500
FVAR 0.60896
O001 4 0.683020 0.596442 0.650563 11.00000 0.05724 0.03644 =
0.04916 0.01375 0.00841 -0.00991
O002 4 0.831181 0.598960 0.354198 11.00000 0.06268 0.03808 =
0.05162 -0.01284 0.01411 0.01296
O003 4 0.522936 0.495347 0.812450 11.00000 0.04055 0.05636 =
0.03250 -0.00914 0.00691 0.01920
O004 4 0.662160 0.420766 0.833844 11.00000 0.03468 0.05614 =
0.03545 -0.01124 -0.01146 -0.00131
O005 4 0.925722 0.108414 0.510236 11.00000 0.04387 0.07692 =
0.04641 0.03765 0.00137 -0.00675
O006 4 0.563467 0.126409 0.481259 11.00000 0.05242 0.05596 =
0.04243 -0.02351 -0.00104 0.00545
O007 4 0.979537 0.460475 0.176720 11.00000 0.03590 0.07536 =
0.03486 0.01246 0.00556 -0.01293
O008 4 0.836400 0.410299 0.158381 11.00000 0.03879 0.07993 =
0.03638 0.01917 -0.01187 -0.00588
O009 4 0.828397 0.434091 0.526774 11.00000 0.06416 0.04244 =
0.06907 0.00069 -0.01813 0.02078
O00A 4 1.032861 0.285823 0.494297 11.00000 0.03587 0.07709 =
0.04141 0.01253 -0.01296 -0.01555
O00B 4 0.690347 0.419558 0.484000 11.00000 0.05566 0.03754 =
0.06499 -0.00566 -0.00303 -0.01892
N00C 3 0.687030 0.743693 0.634528 11.00000 0.03210 0.03675 =
0.02906 0.00177 0.00328 -0.00534
O00D 4 0.457057 0.305965 0.499309 11.00000 0.03686 0.07879 =
0.03854 -0.01261 -0.01034 0.01486
O00E 4 0.443951 0.595845 0.655724 11.00000 0.07838 0.04909 =
0.05729 -0.00961 -0.01110 0.03310
N00F 3 0.760828 0.935146 0.464811 11.00000 0.02804 0.02233 =
0.02463 0.00559 0.00274 0.00060
N00G 3 0.844153 0.207945 0.375059 11.00000 0.02676 0.02891 =
0.02747 0.00262 -0.00114 -0.00297
O00H 4 1.121769 0.297283 0.340553 11.00000 0.02560 0.09603 =
0.05543 0.00964 0.00256 0.00839
N00I 3 0.727468 0.941715 0.536262 11.00000 0.02875 0.02949 =
0.02263 0.00118 0.00188 -0.00121
N00J 3 0.832121 0.260586 0.300588 11.00000 0.02591 0.02774 =
0.02568 -0.00321 -0.00467 -0.00146
N00K 3 0.640093 0.202701 0.625905 11.00000 0.02723 0.02843 =
0.02719 -0.00475 0.00451 0.00560
N00L 3 0.814369 0.743418 0.367189 11.00000 0.03535 0.03203 =
0.03025 -0.00316 0.00550 0.00129
N00M 3 0.592141 0.425233 0.793972 11.00000 0.03212 0.02390 =
0.02832 0.00080 0.00208 0.00282
O00N 4 0.372226 0.360861 0.656464 11.00000 0.02736 0.10222 =
0.05335 0.00426 -0.00039 -0.00357
O00O 4 1.070330 0.546059 0.326470 11.00000 0.06586 0.05827 =
0.06337 0.02606 -0.02339 -0.03635
N00P 3 1.061402 0.399673 0.333781 11.00000 0.02720 0.05699 =
0.02717 0.01051 0.00196 -0.00998
N00Q 3 0.660461 0.252152 0.699004 11.00000 0.02740 0.03158 =
0.02318 -0.00295 0.00218 0.00501
O00R 4 0.827170 0.859352 0.322987 11.00000 0.09817 0.04477 =
0.04003 0.00889 0.03519 0.00226
N00S 3 0.439795 0.445839 0.657056 11.00000 0.03351 0.05617 =
0.02056 -0.00308 0.00193 0.01351
O00T 4 0.665021 0.855881 0.676932 11.00000 0.09681 0.04684 =
0.04054 -0.00075 0.03420 0.00911
N00U 3 0.907387 0.406692 0.197227 11.00000 0.02966 0.04301 =
0.02577 0.00391 0.00019 -0.00086
N00V 3 0.757368 0.496378 0.504151 11.00000 0.04350 0.02950 =
0.02785 0.00097 0.00247 0.00036
C00W 1 0.721872 0.785872 0.558480 11.00000 0.01798 0.02601 =
0.02325 0.00353 0.00137 -0.00280
C00X 1 0.777683 0.778291 0.442269 11.00000 0.02492 0.02235 =
0.02398 -0.00158 0.00138 0.00150
C00Y 1 0.905736 0.337544 0.274650 11.00000 0.02649 0.02705 =
0.02406 0.00207 0.00084 0.00124
N00Z 3 0.524863 0.229341 0.519901 11.00000 0.03015 0.04580 =
0.03157 -0.00637 -0.00421 -0.00246
C010 1 0.560515 0.263632 0.598809 11.00000 0.02446 0.02864 =
0.02457 -0.00106 -0.00002 -0.00182
C011 1 0.591106 0.343822 0.718264 11.00000 0.02352 0.02553 =
0.02125 -0.00036 0.00562 -0.00573
N012 3 0.964988 0.211567 0.472798 11.00000 0.02525 0.04806 =
0.02669 0.01092 0.00420 0.00189
C013 1 0.928144 0.251875 0.394083 11.00000 0.02352 0.01644 =
0.03120 0.00396 0.00225 0.00598
C014 1 0.525285 0.356919 0.657738 11.00000 0.01622 0.02588 =
0.02960 0.00094 0.00089 0.00002
C015 1 0.970157 0.332858 0.334224 11.00000 0.01795 0.03285 =
0.02551 0.00254 0.00416 -0.00100
C016 1 0.752489 0.675196 0.501900 11.00000 0.01920 0.02332 =
0.02508 0.00188 0.00183 0.00173
H00J 2 0.776805 0.258878 0.272142 11.00000 0.05293
H00K 2 0.671951 0.130097 0.597545 11.00000 0.01977
H00F 2 0.774551 1.029252 0.437594 11.00000 0.04588
HKLF 4
REM 2tnp_p03_p_a.res in P2(1)/c
REM wR2 = 0.1407, GooF = S = 1.053, Restrained GooF = 0.973 for all data
REM R1 = 0.0488 for 1214 Fo > 4sig(Fo) and 0.0833 for all 1775 data
REM 391 parameters refined using 306 restraints
END
WGHT 0.0598 2.9317
REM Highest difference peak 0.197, deepest hole -0.218, 1-sigma level 0.046
Q1 1 0.6179 0.5202 0.6005 11.00000 0.05 0.20
Q2 1 0.5578 0.5137 0.8645 11.00000 0.05 0.19
Q3 1 0.9405 0.5588 0.1403 11.00000 0.05 0.17
Q4 1 0.3693 0.3628 0.4585 11.00000 0.05 0.17
Q5 1 0.7840 0.7431 0.2843 11.00000 0.05 0.16
;
_shelx_res_checksum 61388
_shelx_hkl_file
;
2 0 0 326.97 25.80
-2 0 0 351.16 25.70
-3 0 0 145.59 11.60
3 0 0 138.59 11.80
3 0 0 150.08 11.70
-3 0 0 141.09 11.90
-4 0 0 37.00 5.10
4 0 0 42.70 5.00
4 0 0 32.30 4.20
-4 0 0 40.60 5.20
-1 -1 0 173.58 13.60
-1 -1 0 174.38 13.40
1 1 0 166.18 13.40
1 1 0 165.38 13.30
1 1 0 173.78 13.40
1 1 0 174.88 13.50
-2 -1 0 1.30 1.80
-2 -1 0 1.90 1.50
-2 -1 0 2.60 1.60
-2 -1 0 0.90 1.50
-2 -1 0 2.20 1.60
-2 -1 0 1.00 1.40
-2 -1 0 -1.50 1.60
2 1 0 3.00 1.40
2 1 0 -0.20 1.40
2 1 0 1.70 1.30
2 1 0 0.90 1.30
2 1 0 0.00 1.50
2 1 0 2.40 1.40
2 1 0 0.70 1.70
-4 -1 0 68.69 8.50
-4 -1 0 72.69 7.50
-4 -1 0 58.89 7.60
-4 -1 0 76.39 7.70
-4 -1 0 56.19 7.40
4 1 0 66.89 7.50
4 1 0 57.79 6.70
4 1 0 62.29 7.20
4 1 0 83.19 9.00
4 1 0 84.29 9.10
-5 -1 0 79.29 8.70
-5 -1 0 88.79 17.70
-5 -1 0 55.99 7.70
-5 -1 0 53.29 7.40
5 1 0 85.29 8.20
5 1 0 77.59 13.10
5 1 0 77.69 8.90
5 1 0 72.89 8.90
5 1 0 73.29 8.10
5 1 0 63.69 7.40
-6 -1 0 -2.40 4.20
-6 -1 0 0.50 3.90
-6 -1 0 3.10 4.60
-6 -1 0 10.40 7.60
-6 -1 0 2.20 5.20
6 1 0 -2.00 3.50
6 1 0 -1.30 4.90
6 1 0 -2.60 3.50
6 1 0 3.70 5.00
6 1 0 4.20 4.60
-7 -1 0 671.83 51.99
-7 -1 0 688.43 51.19
-7 -1 0 703.23 51.39
7 1 0 649.54 52.39
7 1 0 610.84 51.09
7 1 0 636.94 52.49
7 1 0 625.94 50.79
-8 -1 0 19.30 7.40
-8 -1 0 14.50 7.10
-8 -1 0 26.40 7.10
-8 -1 0 18.70 11.70
-8 -1 0 22.50 8.20
8 1 0 6.60 7.90
8 1 0 20.90 8.30
8 1 0 10.70 5.60
8 1 0 17.50 8.60
8 1 0 19.20 6.60
-9 -1 0 6.50 12.70
-9 -1 0 1.40 8.50
-9 -1 0 12.30 7.60
-9 -1 0 16.80 7.20
-9 -1 0 23.00 9.10
9 1 0 30.70 11.10
9 1 0 -3.30 7.80
9 1 0 38.80 10.40
9 1 0 13.10 6.30
9 1 0 20.40 7.70
-10 -1 0 119.59 16.20
10 1 0 119.89 14.60
-2 -2 0 15.20 3.80
-2 -2 0 25.90 4.10
-2 -2 0 17.10 3.80
-2 -2 0 16.40 3.50
2 2 0 27.20 3.80
2 2 0 6.20 2.60
2 2 0 12.40 3.00
2 2 0 16.50 3.30
2 2 0 16.90 3.40
-3 -2 0 8.50 6.60
-3 -2 0 14.20 4.30
-3 -2 0 17.40 3.90
-3 -2 0 10.80 4.30
-3 -2 0 8.20 3.80
-3 -2 0 16.30 4.60
3 2 0 14.60 3.80
3 2 0 19.00 4.60
3 2 0 9.90 4.30
3 2 0 18.60 3.50
3 2 0 11.50 3.60
3 2 0 16.40 3.60
3 2 0 11.30 4.10
-4 -2 0 580.54 44.80
-4 -2 0 570.14 45.30
-4 -2 0 579.44 45.60
-4 -2 0 547.05 45.40
4 2 0 564.04 45.10
4 2 0 606.54 46.60
4 2 0 608.84 45.00
4 2 0 555.74 45.00
4 2 0 567.54 44.50
4 2 0 588.04 44.60
4 2 0 592.74 45.30
4 2 0 596.74 45.70
-5 -2 0 25.00 6.70
-5 -2 0 33.90 6.30
-5 -2 0 28.00 7.00
-5 -2 0 28.60 6.30
-5 -2 0 23.00 6.10
-5 -2 0 37.00 7.30
-5 -2 0 38.40 6.00
5 2 0 28.40 5.50
5 2 0 37.00 6.20
5 2 0 32.70 7.80
5 2 0 32.50 8.40
5 2 0 32.60 6.00
5 2 0 27.00 6.80
5 2 0 27.80 5.70
5 2 0 31.30 5.60
5 2 0 25.90 5.10
5 2 0 25.00 6.10
5 2 0 23.80 6.30
-6 -2 0 767.92 72.79
-6 -2 0 953.70 72.19
-6 -2 0 945.31 72.39
-6 -2 0 1003.90 71.49
-6 -2 0 1049.70 71.59
6 2 0 800.62 70.29
6 2 0 910.91 71.19
6 2 0 680.33 73.19
6 2 0 989.40 70.49
6 2 0 860.01 70.49
6 2 0 1045.20 73.09
6 2 0 918.81 71.19
6 2 0 919.91 70.39
6 2 0 952.30 70.89
-7 -2 0 13.00 7.70
-7 -2 0 5.90 8.20
-7 -2 0 2.10 6.90
7 2 0 8.30 9.50
7 2 0 8.70 7.10
7 2 0 15.40 6.30
7 2 0 5.80 6.90
7 2 0 13.50 6.80
7 2 0 9.80 6.40
7 2 0 10.10 5.60
7 2 0 9.90 7.00
-8 -2 0 13.70 9.30
-8 -2 0 25.20 9.10
8 2 0 24.20 7.30
8 2 0 10.20 6.50
8 2 0 18.60 7.30
8 2 0 25.40 8.90
8 2 0 11.60 8.10
8 2 0 20.70 7.80
-9 -2 0 -3.50 9.80
-9 -2 0 12.90 10.00
9 2 0 1.40 7.20
9 2 0 16.50 8.50
9 2 0 3.40 6.90
9 2 0 6.90 7.90
9 2 0 3.30 9.20
9 2 0 4.80 9.30
-10 -2 0 76.09 15.00
-10 -2 0 61.99 14.80
10 2 0 100.39 14.30
10 2 0 94.99 13.00
10 2 0 114.79 14.20
10 2 0 77.39 15.10
-11 -2 0 5.50 12.80
-11 -2 0 12.10 11.70
11 2 0 10.40 9.80
11 2 0 12.20 8.30
11 2 0 6.20 11.60
11 2 0 10.20 10.00
-12 -2 0 339.47 34.00
-12 -2 0 428.16 37.10
12 2 0 349.77 34.80
12 2 0 260.67 30.50
12 2 0 328.07 30.90
12 2 0 328.57 32.70
-13 -2 0 63.49 17.50
-13 -2 0 74.19 17.50
13 2 0 99.89 14.40
13 2 0 25.80 13.40
13 2 0 74.29 17.80
13 2 0 34.60 12.90
-3 -3 0 522.35 39.60
-3 -3 0 475.95 40.10
-3 -3 0 487.35 39.70
-3 -3 0 479.75 39.30
3 3 0 545.05 39.00
3 3 0 475.15 39.40
3 3 0 492.65 40.20
3 3 0 476.55 39.30
-4 -3 0 -2.30 5.60
-4 -3 0 -2.50 6.00
-4 -3 0 -0.40 6.80
-4 -3 0 -1.90 6.10
-4 -3 0 6.10 5.60
-4 -3 0 3.60 5.70
4 3 0 7.60 5.20
4 3 0 5.50 6.80
4 3 0 -4.40 6.40
4 3 0 6.50 5.20
4 3 0 4.60 4.50
4 3 0 0.80 4.50
4 3 0 7.20 4.50
4 3 0 5.90 5.00
-5 -3 0 521.95 38.30
-5 -3 0 423.46 37.10
-5 -3 0 516.15 40.30
-5 -3 0 462.25 36.50
5 3 0 493.85 35.90
5 3 0 342.47 35.90
5 3 0 430.16 37.10
5 3 0 428.36 36.80
-6 -3 0 115.09 14.00
-6 -3 0 100.49 12.40
-6 -3 0 97.49 13.80
6 3 0 92.39 14.00
6 3 0 102.59 13.20
6 3 0 94.89 12.00
6 3 0 112.49 12.10
6 3 0 101.29 11.50
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3 1 -2 870.21 64.09
3 1 -2 885.01 64.49
3 1 -2 881.21 64.59
3 1 -2 898.51 66.39
3 1 -2 864.51 65.39
3 1 -2 881.91 64.29
-2 -1 2 1.00 1.40
-2 -1 2 1.90 3.40
-2 -1 2 0.10 2.50
-2 -1 2 -1.30 3.80
-2 -1 2 2.20 1.30
-2 -1 2 3.00 1.70
-2 -1 2 1.00 2.30
2 1 -2 2.20 3.40
2 1 -2 2.20 2.70
2 1 -2 2.50 2.70
2 1 -2 4.30 1.70
2 1 -2 2.50 1.20
2 1 -2 4.30 2.60
2 1 -2 0.10 1.00
0 -1 2 53.59 5.90
0 -1 2 60.49 5.70
0 -1 2 52.29 5.80
0 -1 2 46.80 5.20
0 1 -2 47.30 5.60
0 1 -2 48.10 5.80
0 1 -2 45.60 5.20
0 1 -2 60.69 6.00
1 -1 2 70.79 6.30
1 -1 2 64.49 6.10
-1 1 -2 60.09 6.00
-1 1 -2 63.29 5.70
-2 -1 -2 30.20 4.80
-2 -1 -2 24.80 4.00
-2 -1 -2 21.80 3.50
2 1 2 25.30 3.70
2 1 2 24.90 3.90
2 1 2 22.60 3.60
2 1 2 25.60 4.00
3 1 2 4322.27 320.17
-4 -1 -2 75.99 8.30
-4 -1 -2 76.99 8.80
4 1 2 63.49 6.50
4 1 2 72.39 8.20
4 1 2 65.89 7.30
4 1 2 80.29 7.90
4 1 2 60.19 8.20
4 1 2 73.19 8.10
4 1 2 79.69 6.40
-5 -1 -2 6771.12 501.45
-6 -1 -2 216.78 20.20
-6 -1 -2 209.28 18.10
-6 -1 -2 212.78 19.90
6 1 2 231.48 18.00
6 1 2 202.78 18.70
6 1 2 241.08 20.90
6 1 2 190.88 18.80
-7 -1 -2 2114.69 146.39
-7 -1 -2 1873.31 146.99
-7 -1 -2 1897.61 147.69
7 1 2 1918.41 147.29
7 1 2 1881.81 146.79
7 1 2 1999.50 146.29
7 1 2 1954.40 148.19
-8 -1 -2 177.18 17.60
-8 -1 -2 170.68 18.40
8 1 2 159.18 18.70
8 1 2 175.98 17.30
8 1 2 192.68 23.60
-9 -1 -2 131.49 15.20
-9 -1 -2 136.49 17.40
-9 -1 -2 128.99 16.10
-9 -1 -2 173.08 18.80
-9 -1 -2 178.68 20.40
9 1 2 133.59 16.30
9 1 2 133.49 17.70
9 1 2 100.99 14.30
9 1 2 141.29 15.20
9 1 2 175.98 16.90
-10 -1 -2 49.40 27.10
-10 -1 -2 14.90 11.20
-10 -1 -2 65.19 26.00
-10 -1 -2 37.80 10.00
10 1 2 39.70 11.40
10 1 2 20.10 8.70
10 1 2 59.99 18.40
-11 -1 -2 387.96 41.20
-11 -1 -2 404.16 38.00
-11 -1 -2 423.96 41.60
-11 -1 -2 400.66 36.30
11 1 2 406.06 36.50
11 1 2 439.06 35.70
-12 -1 -2 35.70 15.60
-12 -1 -2 30.30 12.50
-12 -1 -2 26.70 19.00
12 1 2 49.60 11.80
12 1 2 31.10 11.10
-12 -2 2 525.95 49.80
-12 -2 2 434.96 46.50
-12 -2 2 547.55 53.89
12 2 -2 444.26 46.00
-11 -2 2 6.10 18.90
-11 -2 2 1.90 14.40
-11 -2 2 23.80 12.60
11 2 -2 17.30 11.60
-10 -2 2 389.06 36.50
-10 -2 2 418.36 42.90
-10 -2 2 395.16 39.00
10 2 -2 399.26 34.10
10 2 -2 378.06 37.50
-9 -2 2 113.59 21.40
-9 -2 2 115.59 14.30
-9 -2 2 95.99 17.40
-9 -2 2 106.99 15.30
9 2 -2 83.99 15.80
9 2 -2 117.39 15.70
9 2 -2 94.19 13.40
9 2 -2 96.39 12.20
-8 -2 2 516.05 49.90
-8 -2 2 516.35 46.00
-8 -2 2 546.25 43.70
-8 -2 2 551.24 42.50
8 2 -2 469.95 47.90
8 2 -2 515.65 44.00
8 2 -2 554.34 43.70
8 2 -2 519.15 42.50
8 2 -2 519.55 41.90
8 2 -2 514.25 44.70
-7 -2 2 16.70 13.20
-7 -2 2 38.50 11.20
-7 -2 2 21.10 7.40
-7 -2 2 27.00 6.90
7 2 -2 24.20 12.30
7 2 -2 30.60 8.80
7 2 -2 14.30 8.10
7 2 -2 40.20 7.30
7 2 -2 34.00 9.10
7 2 -2 20.60 6.00
-6 -2 2 1619.84 123.99
-6 -2 2 1889.11 125.79
6 2 -2 1588.94 123.29
6 2 -2 1687.83 125.29
6 2 -2 1889.91 127.09
6 2 -2 1620.24 123.79
6 2 -2 1703.93 125.09
6 2 -2 1721.83 124.19
6 2 -2 1463.95 123.89
6 2 -2 1346.57 123.99
-5 -2 2 24.70 6.20
-5 -2 2 17.60 5.30
-5 -2 2 7.60 7.50
-5 -2 2 9.40 6.70
5 2 -2 17.70 6.20
5 2 -2 23.70 7.20
5 2 -2 29.50 6.90
5 2 -2 6.80 8.30
5 2 -2 20.50 5.60
5 2 -2 27.60 5.50
5 2 -2 25.80 4.70
5 2 -2 16.60 4.90
-4 -2 2 1952.00 150.28
-4 -2 2 2003.70 149.09
-4 -2 2 1947.21 149.19
-4 -2 2 1935.81 150.18
-4 -2 2 2022.80 150.48
-4 -2 2 2053.29 148.79
-4 -2 2 2016.80 148.79
4 2 -2 1939.31 149.09
4 2 -2 1979.50 149.09
4 2 -2 1989.10 150.48
4 2 -2 2070.79 152.08
4 2 -2 1987.10 148.49
4 2 -2 1965.70 151.28
4 2 -2 2028.20 148.79
4 2 -2 2002.80 148.79
4 2 -2 1974.30 150.08
4 2 -2 1990.70 149.49
4 2 -2 1979.70 148.49
-3 -2 2 53.89 7.00
-3 -2 2 37.50 7.90
-3 -2 2 55.79 8.80
-3 -2 2 51.79 8.40
-3 -2 2 59.49 6.20
3 2 -2 52.69 6.40
3 2 -2 63.19 6.40
3 2 -2 79.59 8.10
3 2 -2 56.29 6.00
3 2 -2 63.09 8.80
3 2 -2 57.99 9.60
3 2 -2 52.09 7.40
3 2 -2 50.19 7.60
3 2 -2 50.59 6.30
-1 -2 2 196.68 15.90
-1 -2 2 192.58 15.70
-1 -2 2 191.08 17.50
-1 -2 2 183.28 17.50
1 2 -2 219.08 16.80
1 2 -2 218.08 19.90
0 -2 2 685.73 55.19
0 2 -2 746.03 54.49
0 2 -2 712.93 54.99
-2 -2 -2 42.20 5.90
-2 -2 -2 37.00 5.90
-3 -2 -2 136.79 11.90
-3 -2 -2 141.89 12.40
-3 -2 -2 133.49 13.30
-3 -2 -2 144.89 14.20
3 2 2 142.89 12.70
3 2 2 148.59 13.30
3 2 2 144.89 13.40
-4 -2 -2 981.90 78.89
-4 -2 -2 1048.70 79.79
-4 -2 -2 989.60 79.19
-4 -2 -2 1074.09 80.49
-4 -2 -2 1003.40 78.79
4 2 2 1087.69 80.19
4 2 2 1069.49 79.49
4 2 2 1096.29 79.39
4 2 2 1059.29 79.99
4 2 2 1098.09 79.99
-5 -2 -2 0.60 6.20
-5 -2 -2 6.60 4.10
-5 -2 -2 6.40 4.60
5 2 2 3.70 5.20
5 2 2 6.10 5.20
5 2 2 4.20 4.30
5 2 2 -1.30 4.20
5 2 2 2.50 2.80
5 2 2 6.50 2.70
5 2 2 6.10 5.00
5 2 2 2.10 4.50
-6 -2 -2 2981.20 219.78
-6 -2 -2 2962.00 221.38
-6 -2 -2 3154.78 221.68
-6 -2 -2 2895.81 220.58
-6 -2 -2 2979.30 220.78
6 2 2 2781.72 220.08
6 2 2 3088.49 219.98
6 2 2 2729.03 218.98
6 2 2 3399.56 221.18
6 2 2 2717.13 222.58
6 2 2 2859.01 221.18
6 2 2 2849.91 220.78
6 2 2 2946.51 220.68
6 2 2 2949.41 221.08
6 2 2 2891.61 220.18
-7 -2 -2 87.99 13.10
-7 -2 -2 63.39 10.50
-7 -2 -2 76.39 11.70
-7 -2 -2 52.49 11.70
7 2 2 67.69 9.70
7 2 2 60.89 9.40
7 2 2 72.99 11.80
7 2 2 78.69 9.20
7 2 2 64.59 10.90
7 2 2 72.29 8.10
7 2 2 61.19 8.50
7 2 2 75.89 10.90
7 2 2 72.69 10.50
7 2 2 69.59 11.10
-8 -2 -2 1362.86 103.89
-8 -2 -2 1350.66 105.39
-8 -2 -2 1290.77 105.79
-8 -2 -2 1279.17 105.29
8 2 2 1410.56 103.29
8 2 2 1389.36 105.59
8 2 2 1437.46 104.79
8 2 2 1416.36 103.79
8 2 2 1443.66 105.49
8 2 2 1328.87 106.29
-9 -2 -2 112.29 13.60
-9 -2 -2 120.39 17.00
-9 -2 -2 104.49 16.90
9 2 2 131.49 15.00
9 2 2 121.79 15.40
9 2 2 135.29 18.30
9 2 2 115.89 12.30
9 2 2 115.99 17.00
9 2 2 102.49 16.20
-10 -2 -2 226.98 21.80
-10 -2 -2 198.58 23.30
10 2 2 208.58 20.10
10 2 2 219.78 23.40
10 2 2 229.68 19.90
10 2 2 172.48 20.50
-11 -2 -2 7.40 9.60
-11 -2 -2 6.00 9.10
-11 -2 -2 5.00 10.70
11 2 2 16.90 7.40
11 2 2 6.20 10.00
11 2 2 9.30 7.50
11 2 2 12.20 7.80
11 2 2 -9.20 10.70
-12 -2 -2 158.08 23.30
-12 -2 -2 199.88 20.20
-12 -2 -2 202.88 20.00
12 2 2 170.88 17.70
12 2 2 148.39 18.40
12 2 2 166.98 23.10
12 2 2 139.19 17.20
12 2 2 179.28 20.70
-13 -2 -2 70.49 17.60
-13 -2 -2 48.30 12.40
-13 -2 -2 43.50 12.70
13 2 2 52.59 17.20
13 2 2 37.10 11.00
13 2 2 26.20 12.50
13 2 2 46.30 10.50
13 2 2 41.00 10.10
-14 -2 -2 95.99 21.00
14 2 2 99.09 20.40
14 2 2 90.79 16.80
-14 -3 2 17.30 17.80
-14 -3 2 8.60 17.60
-14 -3 2 24.50 16.30
14 3 -2 9.40 13.60
14 3 -2 0.40 12.90
14 3 -2 41.50 17.00
-13 -3 2 17.20 15.90
-13 -3 2 28.70 18.00
-13 -3 2 14.40 16.90
13 3 -2 17.80 15.20
13 3 -2 44.30 12.90
13 3 -2 40.60 15.10
13 3 -2 15.40 13.50
-12 -3 2 45.50 15.70
-12 -3 2 34.00 17.80
-12 -3 2 27.50 16.40
12 3 -2 36.80 11.60
12 3 -2 24.10 14.20
12 3 -2 37.30 14.20
12 3 -2 23.80 13.80
12 3 -2 58.29 15.30
-11 -3 2 -1.20 15.30
-11 -3 2 -2.40 13.00
-11 -3 2 4.00 15.70
11 3 -2 8.90 9.80
11 3 -2 7.20 12.30
11 3 -2 -11.70 11.30
11 3 -2 17.10 12.90
11 3 -2 1.40 11.70
-10 -3 2 -3.80 10.80
-10 -3 2 -6.30 12.80
-10 -3 2 18.80 14.90
10 3 -2 -9.70 10.80
10 3 -2 11.00 11.30
10 3 -2 -14.30 8.40
10 3 -2 6.80 10.60
10 3 -2 15.40 10.80
-9 -3 2 1402.76 112.39
-9 -3 2 1499.55 110.59
-9 -3 2 1477.05 110.89
-9 -3 2 1367.56 112.59
9 3 -2 1459.65 111.69
9 3 -2 1424.86 111.59
9 3 -2 1327.07 113.19
9 3 -2 1528.95 109.79
9 3 -2 1391.56 111.89
9 3 -2 1325.57 110.19
9 3 -2 1475.55 110.79
9 3 -2 1457.85 110.79
9 3 -2 1454.85 110.49
9 3 -2 1471.15 111.69
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-8 -3 2 81.49 15.90
-8 -3 2 71.19 12.50
-8 -3 2 80.09 15.20
8 3 -2 74.29 13.40
8 3 -2 95.49 17.40
8 3 -2 63.99 12.50
8 3 -2 89.59 14.60
8 3 -2 56.49 11.80
8 3 -2 90.09 14.00
8 3 -2 80.19 12.50
8 3 -2 77.09 11.90
8 3 -2 79.69 13.30
8 3 -2 86.89 11.40
-7 -3 2 2408.56 177.28
-7 -3 2 2388.76 175.68
-7 -3 2 2128.99 176.68
-7 -3 2 2326.97 175.08
-7 -3 2 2293.57 175.08
-7 -3 2 2349.36 176.88
7 3 -2 2374.46 175.78
7 3 -2 2225.08 176.98
7 3 -2 2269.67 175.78
7 3 -2 2400.06 175.68
7 3 -2 2219.68 178.98
7 3 -2 2418.86 175.78
7 3 -2 2386.56 176.58
7 3 -2 2389.46 174.58
7 3 -2 2406.06 175.28
7 3 -2 2248.38 175.08
-6 -3 2 88.49 11.00
-6 -3 2 59.19 14.30
-6 -3 2 76.29 15.30
6 3 -2 84.99 10.70
6 3 -2 73.29 12.10
6 3 -2 102.09 14.30
6 3 -2 76.69 12.30
6 3 -2 77.89 11.10
-5 -3 2 271.67 31.50
-5 -3 2 329.47 32.20
-5 -3 2 322.87 28.50
-5 -3 2 355.46 30.10
5 3 -2 377.76 29.70
5 3 -2 410.56 34.70
5 3 -2 324.37 28.10
5 3 -2 392.66 29.70
5 3 -2 316.27 28.70
5 3 -2 414.36 33.10
5 3 -2 317.07 30.80
5 3 -2 334.87 29.90
-4 -3 2 60.19 9.00
-4 -3 2 65.99 11.20
4 3 -2 56.59 9.10
4 3 -2 48.10 7.70
4 3 -2 43.60 7.50
4 3 -2 50.19 7.90
4 3 -2 44.10 10.10
4 3 -2 47.60 7.40
-3 -3 2 2699.93 210.28
-3 -3 2 2738.73 208.78
-3 -3 2 2774.72 208.38
-3 -3 2 2736.73 209.48
-3 -3 2 2740.03 208.58
3 3 -2 2691.53 210.48
3 3 -2 2807.12 209.08
3 3 -2 2794.32 208.38
3 3 -2 2820.72 208.38
3 3 -2 2866.11 208.58
3 3 -2 2955.60 208.78
3 3 -2 2891.71 209.78
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-2 -3 2 44.40 7.90
-2 -3 2 32.80 7.10
-2 -3 2 29.50 5.80
-2 -3 2 47.00 7.90
2 3 -2 25.10 5.70
2 3 -2 37.10 5.80
2 3 -2 39.30 8.10
2 3 -2 33.50 7.90
2 3 -2 35.50 6.50
1 3 -2 8604.34 639.14
-4 -3 -2 107.29 11.60
-4 -3 -2 106.39 12.90
-4 -3 -2 99.69 12.60
-4 -3 -2 177.48 14.00
4 3 2 86.59 12.70
4 3 2 121.79 13.10
4 3 2 99.79 12.20
4 3 2 112.99 13.00
4 3 2 91.19 12.20
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-5 -3 -2 459.45 37.90
-5 -3 -2 456.15 39.20
-5 -3 -2 466.55 37.10
-5 -3 -2 460.25 38.00
5 3 2 488.25 38.40
5 3 2 465.75 38.20
5 3 2 467.25 38.50
5 3 2 412.86 37.70
5 3 2 459.75 38.00
-6 -3 -2 8.60 6.50
-6 -3 -2 -8.30 8.40
6 3 2 -3.20 6.70
6 3 2 1.80 6.80
6 3 2 -3.70 6.70
6 3 2 -2.40 5.50
-7 -3 -2 210.48 20.00
-7 -3 -2 161.18 20.80
-7 -3 -2 185.88 20.10
-7 -3 -2 186.98 19.30
7 3 2 195.98 20.80
7 3 2 197.28 21.00
7 3 2 195.18 17.80
7 3 2 218.48 22.80
7 3 2 193.68 19.50
7 3 2 222.38 21.10
7 3 2 192.38 20.40
-8 -3 -2 10.50 12.00
-8 -3 -2 20.20 10.00
-8 -3 -2 -8.80 10.70
8 3 2 11.00 8.50
8 3 2 23.90 10.40
8 3 2 9.10 5.10
8 3 2 12.80 8.20
8 3 2 6.60 5.70
8 3 2 13.00 9.50
8 3 2 5.70 9.40
8 3 2 19.50 8.70
8 3 2 4.70 7.40
-9 -3 -2 270.37 25.10
-9 -3 -2 244.28 26.20
9 3 2 203.48 22.30
9 3 2 194.58 20.50
9 3 2 260.77 24.70
9 3 2 238.38 21.70
9 3 2 210.28 24.60
9 3 2 255.87 23.20
-10 -3 -2 -2.50 11.50
-10 -3 -2 -0.90 11.30
-10 -3 -2 -1.80 10.00
10 3 2 -1.20 10.30
10 3 2 9.40 7.00
10 3 2 -1.50 10.70
10 3 2 9.60 9.30
10 3 2 7.30 6.30
-11 -3 -2 318.47 30.20
-11 -3 -2 241.08 28.20
11 3 2 239.48 27.80
11 3 2 268.57 26.30
11 3 2 257.67 24.60
11 3 2 258.67 30.50
11 3 2 321.07 28.40
-12 -3 -2 28.10 14.80
-12 -3 -2 35.50 15.40
12 3 2 18.40 14.20
12 3 2 24.80 15.20
12 3 2 10.80 11.90
12 3 2 8.90 8.60
12 3 2 21.50 8.00
-13 -3 -2 583.94 51.39
-13 -3 -2 628.84 53.19
13 3 2 538.25 54.19
13 3 2 509.65 49.70
13 3 2 571.74 47.00
13 3 2 549.95 52.29
-14 -3 -2 126.79 23.30
-14 -3 -2 141.59 22.90
14 3 2 138.49 24.40
14 3 2 81.79 18.20
14 3 2 104.79 21.30
-15 -3 -2 49.30 32.00
-15 -3 -2 32.20 29.30
15 3 2 29.60 23.20
15 3 2 20.20 19.50
15 3 2 1.40 14.80
-14 -4 2 111.29 21.30
-14 -4 2 83.29 19.90
-14 -4 2 63.59 20.70
14 4 -2 69.99 21.60
14 4 -2 104.89 17.80
14 4 -2 101.79 20.60
14 4 -2 62.19 16.00
-13 -4 2 36.20 17.90
-13 -4 2 50.29 17.20
-13 -4 2 36.10 16.20
13 4 -2 17.00 15.20
13 4 -2 39.80 16.10
13 4 -2 32.00 17.90
13 4 -2 27.60 12.60
-12 -4 2 327.07 33.10
-12 -4 2 352.46 35.80
12 4 -2 336.97 31.80
12 4 -2 352.06 32.70
12 4 -2 284.47 34.50
12 4 -2 308.67 34.90
-11 -4 2 29.70 13.60
-11 -4 2 15.50 15.80
11 4 -2 60.29 14.80
11 4 -2 44.40 13.30
11 4 -2 42.80 16.50
11 4 -2 4.80 13.20
11 4 -2 40.30 17.00
11 4 -2 77.59 17.10
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-10 -4 2 175.28 24.30
10 4 -2 144.59 20.10
10 4 -2 210.68 24.00
10 4 -2 171.68 28.60
10 4 -2 204.88 24.70
10 4 -2 185.78 21.40
10 4 -2 142.59 21.20
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-9 -4 2 83.59 15.50
9 4 -2 104.79 16.30
9 4 -2 88.89 20.30
9 4 -2 110.69 15.40
9 4 -2 88.09 13.90
9 4 -2 87.39 16.50
9 4 -2 107.89 18.60
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-8 -4 2 1.10 11.00
-8 -4 2 7.20 9.20
8 4 -2 9.50 9.30
8 4 -2 17.00 10.30
8 4 -2 7.50 9.90
8 4 -2 6.60 11.90
8 4 -2 3.80 8.80
8 4 -2 -12.30 13.00
8 4 -2 -2.60 7.40
8 4 -2 -3.60 8.80
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-7 -4 2 5.00 11.70
-7 -4 2 16.00 11.20
-7 -4 2 19.80 10.50
7 4 -2 15.30 8.80
7 4 -2 14.70 8.10
7 4 -2 26.90 14.40
7 4 -2 20.00 14.50
7 4 -2 15.50 9.70
7 4 -2 22.90 9.70
7 4 -2 6.90 8.00
7 4 -2 26.10 10.40
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-6 -4 2 19.20 9.50
6 4 -2 8.30 7.20
6 4 -2 17.00 8.00
6 4 -2 9.30 13.10
6 4 -2 12.40 7.70
6 4 -2 7.70 10.90
6 4 -2 -0.20 6.70
6 4 -2 9.40 7.80
6 4 -2 8.70 7.10
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-5 -4 2 143.89 17.10
-5 -4 2 117.29 16.00
-5 -4 2 125.59 18.40
5 4 -2 133.39 16.50
5 4 -2 167.18 15.90
5 4 -2 130.39 14.80
5 4 -2 123.49 14.90
5 4 -2 146.79 19.00
5 4 -2 156.28 15.60
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-4 -4 2 46.00 11.00
-4 -4 2 32.00 9.40
-4 -4 2 50.39 8.90
-4 -4 2 37.90 12.20
4 4 -2 35.40 8.10
4 4 -2 41.30 9.20
4 4 -2 58.29 12.30
4 4 -2 47.50 8.20
4 4 -2 53.09 8.10
-3 -4 2 1.80 7.70
-3 -4 2 -3.00 6.20
-3 -4 2 -6.50 7.60
-3 -4 2 3.70 7.30
-3 -4 2 11.30 6.10
3 4 -2 2.60 5.90
3 4 -2 -8.90 7.80
3 4 -2 -0.90 4.60
3 4 -2 12.00 8.50
3 4 -2 2.90 5.80
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-5 -4 -2 3.40 6.50
-5 -4 -2 -3.00 7.00
-5 -4 -2 7.80 9.50
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5 4 2 5.90 6.40
5 4 2 -6.30 7.60
5 4 2 2.60 5.90
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-5 2 -6 11.10 5.60
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6 3 -6 221.28 22.60
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6 3 -6 186.28 26.10
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4 3 -6 125.39 11.70
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3 3 -6 626.04 49.20
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2 3 -6 154.58 19.80
2 3 -6 162.68 22.60
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1 3 -6 1769.02 132.49
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6 3 6 36.20 7.20
6 3 6 39.70 10.60
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7 3 6 383.56 34.00
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8 3 6 5.20 11.40
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5 -3 8 895.11 70.49
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5 -3 8 902.71 68.69
5 -3 8 861.21 68.29
5 -3 8 858.01 67.09
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8 3 8 12.60 13.00
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9 3 8 -10.90 11.40
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10 3 8 59.99 14.90
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3 4 -8 -4.10 9.90
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1 4 -8 -3.60 14.90
1 4 -8 -0.30 9.90
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1 -4 8 218.38 26.80
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3 -4 8 39.60 14.80
3 -4 8 60.09 13.90
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10 5 -8 -13.70 11.10
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9 5 -8 116.09 16.90
9 5 -8 92.49 21.60
9 5 -8 82.59 27.50
9 5 -8 120.19 17.30
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8 5 -8 18.50 16.10
8 5 -8 31.10 8.50
8 5 -8 18.60 9.90
8 5 -8 33.90 10.70
8 5 -8 27.50 8.80
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7 5 -8 196.78 20.50
7 5 -8 160.28 30.50
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6 5 -8 101.19 11.80
6 5 -8 107.99 27.10
6 5 -8 73.49 18.10
6 5 -8 102.09 11.20
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5 5 -8 1418.56 103.39
5 5 -8 1449.46 117.19
5 5 -8 1357.46 103.69
5 5 -8 1265.57 117.19
5 5 -8 1219.68 108.39
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4 5 -8 -12.90 18.00
4 5 -8 -15.30 12.90
4 5 -8 2.60 4.90
4 5 -8 11.50 5.40
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3 5 -8 388.06 48.70
3 5 -8 413.26 30.90
3 5 -8 393.56 31.20
3 5 -8 413.96 37.50
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2 5 -8 72.79 23.90
2 5 -8 59.59 14.20
2 5 -8 40.60 5.90
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9 6 -8 10.50 23.30
9 6 -8 3.30 8.60
9 6 -8 4.80 15.30
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8 6 -8 975.50 98.99
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7 6 -8 4.10 8.00
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7 6 -8 13.70 13.60
7 6 -8 2.50 7.70
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5 6 -8 29.00 8.10
5 6 -8 24.00 13.00
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4 6 -8 2.30 6.40
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4 6 -8 19.40 13.20
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3 6 -8 20.30 6.70
3 6 -8 14.60 6.30
3 6 -8 22.10 12.00
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3 -1 9 45.30 6.50
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8 -1 9 198.08 18.50
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2 -2 9 31.10 11.10
2 -2 9 20.70 4.20
2 -2 9 18.00 11.00
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2 -1 17 15.10 19.00
-2 1 -17 3.10 14.80
-2 1 -17 -10.70 13.50
3 -1 17 -4.00 16.40
-3 1 -17 7.50 20.90
-3 1 -17 19.40 15.60
4 -1 17 44.20 17.90
-4 1 -17 44.70 14.40
-5 1 -17 23.10 13.30
-5 1 -17 2.70 11.50
-1 -2 17 251.87 35.70
1 2 -17 222.38 31.70
0 -2 17 33.70 21.90
0 -2 17 26.30 22.00
0 2 -17 -7.40 15.70
0 2 -17 40.70 17.40
1 -2 17 27.30 21.70
1 -2 17 40.50 21.40
-1 2 -17 5.90 15.60
-1 2 -17 40.80 17.60
2 -2 17 11.20 18.40
-2 2 -17 5.70 14.30
-4 2 -17 -17.60 11.90
-5 2 -17 122.49 28.30
-3 -3 17 36.10 24.40
-3 -3 17 13.80 26.20
3 3 -17 20.60 20.10
3 3 -17 29.30 19.70
-2 -3 17 117.99 29.30
-2 -3 17 52.79 25.80
2 3 -17 81.69 23.10
2 3 -17 88.29 23.10
2 3 -17 48.50 21.40
-1 -3 17 64.09 25.30
-1 -3 17 42.40 24.50
1 3 -17 46.60 19.80
1 3 -17 43.10 18.90
1 3 -17 24.70 20.20
0 -3 17 -26.50 19.90
0 3 -17 -4.70 15.40
0 3 -17 -9.80 17.20
1 -3 17 -21.10 19.20
-1 3 -17 10.60 15.90
-1 3 -17 32.50 19.00
-2 3 -17 314.57 41.30
-2 3 -17 405.56 39.00
-3 3 -17 6.90 17.70
-3 3 -17 5.10 14.60
-4 3 -17 75.49 21.30
-4 3 -17 86.29 18.10
-1 -4 17 102.89 27.40
1 4 -17 62.59 20.10
1 4 -17 54.69 27.90
0 4 -17 -0.60 23.30
0 4 -17 7.30 17.10
-3 1 -18 -12.20 13.20
4 -1 18 36.90 18.60
-4 1 -18 9.00 14.00
0 -2 18 6.80 22.00
0 -2 18 44.40 23.60
0 2 -18 35.60 18.20
0 2 -18 39.90 18.80
1 -2 18 4.80 21.40
1 -2 18 5.70 22.50
-1 2 -18 13.90 17.20
-1 2 -18 -19.70 17.00
2 -2 18 11.40 20.60
-2 2 -18 33.20 17.10
-3 2 -18 61.79 17.70
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 9472
_olex2_submission_special_instructions 'No special instructions were received'
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_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O001 O 0.6830(3) 0.5964(6) 0.6506(2) 0.0475(12) Uani 1 1 d . . . . .
O002 O 0.8312(3) 0.5990(6) 0.3542(2) 0.0505(13) Uani 1 1 d . . . . .
O003 O 0.5229(2) 0.4953(6) 0.8124(2) 0.0430(12) Uani 1 1 d . . . . .
O004 O 0.6622(2) 0.4208(5) 0.8338(2) 0.0424(11) Uani 1 1 d . . . . .
O005 O 0.9257(3) 0.1084(7) 0.5102(2) 0.0557(14) Uani 1 1 d . . . . .
O006 O 0.5635(3) 0.1264(6) 0.4813(2) 0.0503(13) Uani 1 1 d . . . . .
O007 O 0.9795(3) 0.4605(6) 0.1767(2) 0.0486(13) Uani 1 1 d . . . . .
O008 O 0.8364(2) 0.4103(5) 0.1584(2) 0.0520(13) Uani 1 1 d . . . . .
O009 O 0.8284(3) 0.4341(6) 0.5268(2) 0.0591(14) Uani 1 1 d . . . . .
O00A O 1.0329(3) 0.2858(6) 0.4943(2) 0.0518(13) Uani 1 1 d . . . . .
O00B O 0.6903(3) 0.4196(6) 0.4840(2) 0.0529(13) Uani 1 1 d . . . . .
N00C N 0.6870(3) 0.7437(8) 0.6345(3) 0.0326(12) Uani 1 1 d . . . . .
O00D O 0.4571(3) 0.3060(6) 0.4993(2) 0.0517(13) Uani 1 1 d . . . . .
O00E O 0.4440(3) 0.5958(7) 0.6557(3) 0.0619(15) Uani 1 1 d . . . . .
N00F N 0.7608(3) 0.9351(7) 0.4648(3) 0.0250(11) Uani 1 1 d . . . . .
N00G N 0.8442(3) 0.2079(6) 0.3751(2) 0.0278(11) Uani 1 1 d . . . . .
O00H O 1.1218(3) 0.2973(6) 0.3406(2) 0.0590(14) Uani 1 1 d . . . . .
N00I N 0.7275(3) 0.9417(6) 0.5363(3) 0.0269(11) Uani 1 1 d . . . . .
N00J N 0.8321(3) 0.2606(6) 0.3006(2) 0.0266(11) Uani 1 1 d . . . . .
N00K N 0.6401(3) 0.2027(7) 0.6259(3) 0.0275(12) Uani 1 1 d . . . . .
N00L N 0.8144(3) 0.7434(7) 0.3672(3) 0.0324(13) Uani 1 1 d . . . . .
N00M N 0.5921(3) 0.4252(6) 0.7940(2) 0.0281(12) Uani 1 1 d . . . . .
O00N O 0.3722(3) 0.3609(6) 0.6565(2) 0.0610(14) Uani 1 1 d . . . . .
O00O O 1.0703(3) 0.5461(7) 0.3265(3) 0.0631(17) Uani 1 1 d . . . . .
N00P N 1.0614(3) 0.3997(8) 0.3338(3) 0.0371(14) Uani 1 1 d . . . . .
N00Q N 0.6605(3) 0.2522(6) 0.6990(2) 0.0274(12) Uani 1 1 d . . . . .
O00R O 0.8272(3) 0.8594(6) 0.3230(2) 0.0602(14) Uani 1 1 d . . . . .
N00S N 0.4398(3) 0.4458(8) 0.6571(3) 0.0367(13) Uani 1 1 d . . . . .
O00T O 0.6650(3) 0.8559(7) 0.6769(3) 0.0606(14) Uani 1 1 d . . . . .
N00U N 0.9074(3) 0.4067(6) 0.1972(2) 0.0328(13) Uani 1 1 d . . . . .
N00V N 0.7574(3) 0.4964(7) 0.5042(2) 0.0336(12) Uani 1 1 d . . . . .
C00W C 0.7219(3) 0.7859(8) 0.5585(3) 0.0224(13) Uani 1 1 d . . . . .
C00X C 0.7777(3) 0.7783(7) 0.4423(3) 0.0237(13) Uani 1 1 d . . . . .
C00Y C 0.9057(3) 0.3375(7) 0.2746(3) 0.0259(13) Uani 1 1 d . . . . .
N00Z N 0.5249(3) 0.2293(7) 0.5199(3) 0.0360(13) Uani 1 1 d . . . . .
C010 C 0.5605(3) 0.2636(7) 0.5988(3) 0.0259(13) Uani 1 1 d . . . . .
C011 C 0.5911(3) 0.3438(7) 0.7183(3) 0.0233(13) Uani 1 1 d . . . . .
N012 N 0.9650(3) 0.2116(7) 0.4728(3) 0.0333(13) Uani 1 1 d . . . . .
C013 C 0.9281(3) 0.2519(7) 0.3941(3) 0.0237(13) Uani 1 1 d . . . . .
C014 C 0.5253(3) 0.3569(7) 0.6577(3) 0.0239(13) Uani 1 1 d . . . . .
C015 C 0.9702(3) 0.3329(7) 0.3342(3) 0.0254(14) Uani 1 1 d . . . . .
C016 C 0.7525(3) 0.6752(8) 0.5019(3) 0.0225(12) Uani 1 1 d . . . . .
H00J H 0.777(4) 0.259(7) 0.272(3) 0.053(17) Uiso 1 1 d . . . . .
H00K H 0.672(3) 0.130(7) 0.598(3) 0.020(14) Uiso 1 1 d . . . . .
H00F H 0.775(4) 1.029(8) 0.438(3) 0.046(19) Uiso 1 1 d . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O001 0.057(3) 0.036(4) 0.049(3) 0.014(2) 0.008(2) -0.010(2)
O002 0.063(3) 0.038(4) 0.052(3) -0.013(2) 0.014(2) 0.013(2)
O003 0.041(3) 0.056(4) 0.032(2) -0.009(2) 0.007(2) 0.019(2)
O004 0.035(2) 0.056(4) 0.035(2) -0.0112(19) -0.011(2) -0.0013(17)
O005 0.044(3) 0.077(5) 0.046(3) 0.038(2) 0.001(2) -0.007(2)
O006 0.052(3) 0.056(5) 0.042(3) -0.024(2) -0.001(2) 0.005(2)
O007 0.036(3) 0.075(4) 0.035(3) 0.012(2) 0.006(2) -0.013(2)
O008 0.039(3) 0.080(5) 0.036(3) 0.019(2) -0.012(2) -0.0059(19)
O009 0.064(3) 0.042(4) 0.069(3) 0.001(2) -0.018(3) 0.021(2)
O00A 0.036(3) 0.077(4) 0.041(3) 0.013(2) -0.013(2) -0.016(2)
O00B 0.056(3) 0.038(4) 0.065(3) -0.006(2) -0.003(2) -0.0189(19)
N00C 0.032(3) 0.037(4) 0.029(3) 0.002(3) 0.003(2) -0.005(2)
O00D 0.037(3) 0.079(4) 0.039(3) -0.013(2) -0.010(2) 0.015(2)
O00E 0.078(4) 0.049(4) 0.057(3) -0.010(3) -0.011(3) 0.033(2)
N00F 0.028(3) 0.022(4) 0.025(3) 0.006(2) 0.003(2) 0.0006(19)
N00G 0.027(3) 0.029(4) 0.027(3) 0.003(2) -0.001(2) -0.0030(17)
O00H 0.026(3) 0.096(5) 0.055(3) 0.010(3) 0.003(2) 0.008(2)
N00I 0.029(3) 0.029(4) 0.023(2) 0.001(2) 0.002(2) -0.0012(18)
N00J 0.026(3) 0.028(4) 0.026(3) -0.003(2) -0.005(2) -0.0015(18)
N00K 0.027(3) 0.028(4) 0.027(3) -0.005(2) 0.005(2) 0.0056(19)
N00L 0.035(3) 0.032(4) 0.030(3) -0.003(2) 0.006(2) 0.001(2)
N00M 0.032(3) 0.024(4) 0.028(3) 0.001(2) 0.002(2) 0.0028(19)
O00N 0.027(3) 0.102(5) 0.053(3) 0.004(3) 0.000(2) -0.004(2)
O00O 0.066(3) 0.058(4) 0.063(3) 0.026(3) -0.023(3) -0.036(3)
N00P 0.027(3) 0.057(5) 0.027(3) 0.011(3) 0.002(2) -0.010(2)
N00Q 0.027(3) 0.032(4) 0.023(3) -0.003(2) 0.002(2) 0.0050(18)
O00R 0.098(4) 0.045(4) 0.040(3) 0.009(2) 0.035(3) 0.002(2)
N00S 0.034(3) 0.056(5) 0.021(3) -0.003(3) 0.002(2) 0.014(2)
O00T 0.097(4) 0.047(4) 0.041(3) -0.001(2) 0.034(3) 0.009(2)
N00U 0.030(3) 0.043(4) 0.026(3) 0.004(2) 0.000(2) -0.001(2)
N00V 0.043(3) 0.030(4) 0.028(3) 0.001(2) 0.002(2) 0.000(2)
C00W 0.018(3) 0.026(4) 0.023(3) 0.004(2) 0.001(2) -0.003(2)
C00X 0.025(3) 0.022(4) 0.024(3) -0.002(2) 0.001(2) 0.001(2)
C00Y 0.026(3) 0.027(5) 0.024(3) 0.002(2) 0.001(2) 0.001(2)
N00Z 0.030(3) 0.046(5) 0.032(3) -0.006(2) -0.004(2) -0.002(2)
C010 0.024(3) 0.029(5) 0.025(3) -0.001(2) 0.000(3) -0.002(2)
C011 0.024(3) 0.026(5) 0.021(3) 0.000(2) 0.006(3) -0.006(2)
N012 0.025(3) 0.048(5) 0.027(3) 0.011(2) 0.004(2) 0.002(2)
C013 0.024(3) 0.016(5) 0.031(3) 0.004(2) 0.002(3) 0.006(2)
C014 0.016(3) 0.026(5) 0.030(3) 0.001(2) 0.001(2) 0.0000(19)
C015 0.018(3) 0.033(5) 0.026(3) 0.003(2) 0.004(2) -0.001(2)
C016 0.019(3) 0.023(4) 0.025(3) 0.002(2) 0.002(2) 0.002(2)
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O001 N00C C00W 116.7(5) . . ?
O00T N00C O001 125.5(7) . . ?
O00T N00C C00W 117.8(7) . . ?
N00I N00F C00X 112.1(5) . . ?
N00I N00F H00F 122(5) . . ?
C00X N00F H00F 126(5) . . ?
C013 N00G N00J 103.7(4) . . ?
C00W N00I N00F 104.6(5) . . ?
N00G N00J C00Y 111.9(4) . . ?
N00G N00J H00J 124(3) . . ?
C00Y N00J H00J 123(3) . . ?
N00Q N00K C010 112.1(4) . . ?
N00Q N00K H00K 126(3) . . ?
C010 N00K H00K 122(3) . . ?
O002 N00L O00R 126.1(6) . . ?
O002 N00L C00X 116.0(5) . . ?
O00R N00L C00X 118.0(6) . . ?
O003 N00M C011 117.2(4) . . ?
O004 N00M O003 125.4(4) . . ?
O004 N00M C011 117.4(4) . . ?
O00H N00P C015 115.3(6) . . ?
O00O N00P O00H 126.5(6) . . ?
O00O N00P C015 118.2(5) . . ?
C011 N00Q N00K 104.3(4) . . ?
O00E N00S O00N 127.3(6) . . ?
O00E N00S C014 116.5(5) . . ?
O00N N00S C014 116.1(6) . . ?
O007 N00U O008 126.0(4) . . ?
O007 N00U C00Y 116.5(4) . . ?
O008 N00U C00Y 117.4(4) . . ?
O009 N00V C016 117.6(5) . . ?
O00B N00V O009 124.8(6) . . ?
O00B N00V C016 117.6(5) . . ?
N00I C00W N00C 120.5(5) . . ?
N00I C00W C016 112.9(6) . . ?
C016 C00W N00C 126.6(6) . . ?
N00F C00X N00L 121.2(5) . . ?
N00F C00X C016 107.6(6) . . ?
C016 C00X N00L 131.2(6) . . ?
N00J C00Y N00U 121.5(4) . . ?
N00J C00Y C015 107.5(5) . . ?
C015 C00Y N00U 130.9(5) . . ?
O006 N00Z O00D 126.4(4) . . ?
O006 N00Z C010 117.7(4) . . ?
O00D N00Z C010 115.9(4) . . ?
N00K C010 N00Z 122.2(5) . . ?
N00K C010 C014 107.9(4) . . ?
C014 C010 N00Z 130.0(4) . . ?
N00Q C011 N00M 119.6(4) . . ?
N00Q C011 C014 113.1(5) . . ?
C014 C011 N00M 127.2(5) . . ?
O005 N012 O00A 126.3(4) . . ?
O005 N012 C013 117.5(4) . . ?
O00A N012 C013 116.2(4) . . ?
N00G C013 N012 118.7(5) . . ?
N00G C013 C015 113.3(4) . . ?
C015 C013 N012 127.9(4) . . ?
C010 C014 N00S 128.4(4) . . ?
C010 C014 C011 102.6(4) . . ?
C011 C014 N00S 129.0(5) . . ?
C00Y C015 N00P 127.7(5) . . ?
C00Y C015 C013 103.5(4) . . ?
C013 C015 N00P 128.8(4) . . ?
C00W C016 N00V 129.6(6) . . ?
C00X C016 N00V 127.6(5) . . ?
C00X C016 C00W 102.8(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O001 N00C 1.219(6) . ?
O002 N00L 1.212(6) . ?
O003 N00M 1.221(5) . ?
O004 N00M 1.217(4) . ?
O005 N012 1.207(6) . ?
O006 N00Z 1.212(6) . ?
O007 N00U 1.216(5) . ?
O008 N00U 1.219(5) . ?
O009 N00V 1.215(5) . ?
O00A N012 1.214(5) . ?
O00B N00V 1.208(5) . ?
N00C O00T 1.206(7) . ?
N00C C00W 1.443(8) . ?
O00D N00Z 1.219(5) . ?
O00E N00S 1.210(6) . ?
N00F N00I 1.323(7) . ?
N00F C00X 1.346(8) . ?
N00F H00F 0.91(6) . ?
N00G N00J 1.334(6) . ?
N00G C013 1.322(6) . ?
O00H N00P 1.219(6) . ?
N00I C00W 1.314(7) . ?
N00J C00Y 1.342(7) . ?
N00J H00J 0.93(5) . ?
N00K N00Q 1.323(6) . ?
N00K C010 1.342(6) . ?
N00K H00K 0.90(5) . ?
N00L O00R 1.215(7) . ?
N00L C00X 1.427(8) . ?
N00M C011 1.438(6) . ?
O00N N00S 1.212(6) . ?
O00O N00P 1.194(6) . ?
N00P C015 1.455(6) . ?
N00Q C011 1.316(6) . ?
N00S C014 1.455(7) . ?
N00U C00Y 1.423(6) . ?
N00V C016 1.443(7) . ?
C00W C016 1.396(8) . ?
C00X C016 1.369(8) . ?
C00Y C015 1.362(6) . ?
N00Z C010 1.443(6) . ?
C010 C014 1.367(7) . ?
C011 C014 1.391(6) . ?
N012 C013 1.456(6) . ?
C013 C015 1.372(7) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O001 N00C C00W N00I 179.2(4) . . . . ?
O001 N00C C00W C016 -0.9(7) . . . . ?
O002 N00L C00X N00F 176.5(4) . . . . ?
O002 N00L C00X C016 -4.5(8) . . . . ?
O003 N00M C011 N00Q -173.0(6) . . . . ?
O003 N00M C011 C014 11.0(9) . . . . ?
O004 N00M C011 N00Q 8.1(9) . . . . ?
O004 N00M C011 C014 -167.9(5) . . . . ?
O005 N012 C013 N00G 16.6(9) . . . . ?
O005 N012 C013 C015 -163.5(7) . . . . ?
O006 N00Z C010 N00K 9.0(11) . . . . ?
O006 N00Z C010 C014 -171.3(7) . . . . ?
O007 N00U C00Y N00J -173.6(5) . . . . ?
O007 N00U C00Y C015 6.5(9) . . . . ?
O008 N00U C00Y N00J 8.1(8) . . . . ?
O008 N00U C00Y C015 -171.8(6) . . . . ?
O009 N00V C016 C00W -94.5(6) . . . . ?
O009 N00V C016 C00X 85.4(6) . . . . ?
O00A N012 C013 N00G -163.5(5) . . . . ?
O00A N012 C013 C015 16.4(10) . . . . ?
O00B N00V C016 C00W 85.0(6) . . . . ?
O00B N00V C016 C00X -95.2(6) . . . . ?
N00C C00W C016 N00V 0.0(8) . . . . ?
N00C C00W C016 C00X -179.9(4) . . . . ?
O00D N00Z C010 N00K -172.3(6) . . . . ?
O00D N00Z C010 C014 7.4(11) . . . . ?
O00E N00S C014 C010 -109.7(7) . . . . ?
O00E N00S C014 C011 71.0(8) . . . . ?
N00F N00I C00W N00C -179.5(4) . . . . ?
N00F N00I C00W C016 0.6(5) . . . . ?
N00F C00X C016 N00V 179.5(4) . . . . ?
N00F C00X C016 C00W -0.6(5) . . . . ?
N00G N00J C00Y N00U -178.8(5) . . . . ?
N00G N00J C00Y C015 1.2(7) . . . . ?
N00G C013 C015 N00P 179.6(6) . . . . ?
N00G C013 C015 C00Y 0.0(7) . . . . ?
O00H N00P C015 C00Y -116.4(6) . . . . ?
O00H N00P C015 C013 64.1(8) . . . . ?
N00I N00F C00X N00L -179.7(4) . . . . ?
N00I N00F C00X C016 1.1(5) . . . . ?
N00I C00W C016 N00V 179.9(4) . . . . ?
N00I C00W C016 C00X 0.0(5) . . . . ?
N00J N00G C013 N012 -179.4(5) . . . . ?
N00J N00G C013 C015 0.7(6) . . . . ?
N00J C00Y C015 N00P 179.7(6) . . . . ?
N00J C00Y C015 C013 -0.7(7) . . . . ?
N00K N00Q C011 N00M -177.3(5) . . . . ?
N00K N00Q C011 C014 -0.7(8) . . . . ?
N00K C010 C014 N00S -179.0(6) . . . . ?
N00K C010 C014 C011 0.5(7) . . . . ?
N00L C00X C016 N00V 0.4(9) . . . . ?
N00L C00X C016 C00W -179.8(5) . . . . ?
N00M C011 C014 N00S -4.2(10) . . . . ?
N00M C011 C014 C010 176.4(6) . . . . ?
O00N N00S C014 C010 69.0(8) . . . . ?
O00N N00S C014 C011 -110.3(7) . . . . ?
O00O N00P C015 C00Y 63.1(8) . . . . ?
O00O N00P C015 C013 -116.4(7) . . . . ?
N00Q N00K C010 N00Z 178.8(6) . . . . ?
N00Q N00K C010 C014 -1.0(8) . . . . ?
N00Q C011 C014 N00S 179.6(6) . . . . ?
N00Q C011 C014 C010 0.2(7) . . . . ?
O00R N00L C00X N00F -2.4(7) . . . . ?
O00R N00L C00X C016 176.6(5) . . . . ?
O00T N00C C00W N00I -1.3(7) . . . . ?
O00T N00C C00W C016 178.6(5) . . . . ?
N00U C00Y C015 N00P -0.3(11) . . . . ?
N00U C00Y C015 C013 179.2(6) . . . . ?
C00X N00F N00I C00W -1.0(5) . . . . ?
N00Z C010 C014 N00S 1.3(12) . . . . ?
N00Z C010 C014 C011 -179.3(6) . . . . ?
C010 N00K N00Q C011 1.0(8) . . . . ?
N012 C013 C015 N00P -0.3(11) . . . . ?
N012 C013 C015 C00Y -179.9(6) . . . . ?
C013 N00G N00J C00Y -1.1(6) . . . . ?