#------------------------------------------------------------------------------
#$Date: 2024-01-06 11:53:54 +0200 (Sat, 06 Jan 2024) $
#$Revision: 288906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/76/7247697.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_7247697
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 '3(C3 H N5 O6)'
_chemical_formula_sum 'C9 H3 N15 O18'
_chemical_formula_weight 609.26
_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.cc29gp7q
_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 92.197(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 14.2569(7)
_cell_length_b 7.6573(6)
_cell_length_c 16.6118(8)
_cell_measurement_reflns_used 3466
_cell_measurement_temperature 298.4
_cell_measurement_theta_max 24.19
_cell_measurement_theta_min 2.79
_cell_volume 1812.17(19)
_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 'XL (Sheldrick, 2008)'
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature 298.4
_diffrn_measured_fraction_theta_full 0.549
_diffrn_measured_fraction_theta_max 0.508
_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 0.0409
_diffrn_reflns_av_unetI/netI 0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.549
_diffrn_reflns_Laue_measured_fraction_max 0.508
_diffrn_reflns_limit_h_max 16
_diffrn_reflns_limit_h_min -16
_diffrn_reflns_limit_k_max 6
_diffrn_reflns_limit_k_min -6
_diffrn_reflns_limit_l_max 20
_diffrn_reflns_limit_l_min -20
_diffrn_reflns_number 10484
_diffrn_reflns_point_group_measured_fraction_full 0.549
_diffrn_reflns_point_group_measured_fraction_max 0.508
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 26.286
_diffrn_reflns_theta_min 2.454
_diffrn_source_current 1.4
_diffrn_source_power 0.07
_diffrn_source_voltage 50.0
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 0.217
_exptl_absorpt_correction_T_max 0.7454
_exptl_absorpt_correction_T_min 0.6715
_exptl_absorpt_correction_type none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0553 before and 0.0469 after correction.
The Ratio of minimum to maximum transmission is 0.9009.
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 2.233
_exptl_crystal_description block
_exptl_crystal_F_000 1224
_refine_diff_density_max 0.176
_refine_diff_density_min -0.177
_refine_diff_density_rms 0.046
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.041
_refine_ls_hydrogen_treatment refxyz
_refine_ls_matrix_type full
_refine_ls_number_parameters 389
_refine_ls_number_reflns 1871
_refine_ls_number_restraints 306
_refine_ls_restrained_S_all 0.960
_refine_ls_R_factor_all 0.0546
_refine_ls_R_factor_gt 0.0366
_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^)+(0.0665P)^2^+1.0412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0969
_refine_ls_wR_factor_ref 0.1071
_reflns_Friedel_coverage 0.000
_reflns_number_gt 1468
_reflns_number_total 1871
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file d3cp04526a2.cif
_cod_data_source_block 2tnp_p07
_cod_depositor_comments
'Adding full bibliography for 7247689--7247697.cif.'
_cod_database_code 7247697
_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. Fixed Uiso
At 1.2 times of:
All C(H,H) groups
2. 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_p07_a.res in P2(1)/c
2tnp_p07.res
created by SHELXL-2018/3 at 20:54:54 on 28-Jul-2020
REM Old TITL 2TNP_P07 in P21/c #14
REM SHELXT solution in P2(1)/c: R1 0.154, Rweak 0.009, Alpha 0.161
REM 0.409 for 112 systematic absences, Orientation as input
REM Formula found by SHELXT: C26 N7 O9
CELL 0.71073 14.2569 7.6573 16.6118 90 92.197 90
ZERR 4 0.0007 0.0006 0.0008 0 0.003 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 20
TEMP 25.25
CONF
BOND
list 4
MORE -1
fmap 2
acta
BOND $H
OMIT -6 2 1
OMIT 3 1 7
OMIT -2 0 4
REM
REM
REM
WGHT 0.066500 1.041200
FVAR 0.78840
O001 4 0.447974 1.163684 0.487248 11.00000 0.02322 0.04551 =
0.02603 0.00186 -0.00388 -0.00474
O002 4 0.819158 0.635236 0.318887 11.00000 0.04476 0.03153 =
0.02318 -0.00793 0.01217 -0.00646
O003 4 1.120740 0.261130 0.331385 11.00000 0.01921 0.04323 =
0.04584 -0.01440 0.00169 -0.00692
O004 4 0.709397 1.106031 0.488021 11.00000 0.03948 0.02171 =
0.04105 0.00481 0.00679 0.01130
O005 4 0.918414 0.417876 0.500455 11.00000 0.03227 0.04818 =
0.03204 -0.02166 -0.00142 0.00780
O006 4 0.653071 1.057307 0.829325 11.00000 0.02425 0.04076 =
0.02374 0.00495 -0.00551 0.00651
O007 4 0.857121 0.894686 0.361426 11.00000 0.04785 0.02630 =
0.04012 0.00494 0.01112 -0.01391
O008 4 0.553284 1.364981 0.471101 11.00000 0.04666 0.03921 =
0.02258 0.01188 0.00220 -0.00799
O009 4 0.506583 0.989456 0.807621 11.00000 0.03514 0.03846 =
0.02759 0.00619 0.00413 -0.01663
O1 4 1.084989 -0.009521 0.310493 11.00000 0.04035 0.02616 =
0.03848 -0.00617 0.00376 0.01192
O00B 4 0.696085 0.914434 0.658919 11.00000 0.05220 0.02445 =
0.03168 -0.01239 0.00177 0.01248
O00C 4 0.984527 0.089977 0.160679 11.00000 0.02144 0.05715 =
0.02703 -0.01113 0.00461 0.00384
O2 4 0.832716 0.120888 0.141726 11.00000 0.02722 0.05361 =
0.02896 -0.01651 -0.00860 0.00482
N00E 3 0.717359 0.554195 0.536552 11.00000 0.01895 0.02354 =
0.01528 0.00316 0.00121 -0.00012
O00F 4 0.423430 0.880942 0.652025 11.00000 0.07056 0.02465 =
0.03817 0.00790 -0.00658 -0.02149
O00G 4 1.030371 0.227442 0.488351 11.00000 0.02910 0.05111 =
0.03442 -0.00387 -0.00988 0.01345
N00H 3 0.631576 1.291499 0.618279 11.00000 0.02209 0.01402 =
0.01797 0.00276 0.00331 -0.00257
N00I 3 1.065162 0.140491 0.321080 11.00000 0.01865 0.02736 =
0.01665 -0.00509 0.00190 0.00022
O00J 4 0.850694 1.067000 0.536145 11.00000 0.05019 0.03844 =
0.06186 -0.00146 -0.02111 -0.01127
N00K 3 0.423374 1.038702 0.650590 11.00000 0.02653 0.02963 =
0.01411 0.00159 -0.00140 -0.00863
N00L 3 0.821411 0.751766 0.368901 11.00000 0.02198 0.02326 =
0.01938 0.00482 0.00310 -0.00132
N00M 3 0.750447 0.557143 0.462886 11.00000 0.02001 0.01837 =
0.01600 -0.00079 0.00327 -0.00123
O00N 4 0.355249 1.133645 0.650706 11.00000 0.02067 0.07568 =
0.03875 -0.00263 0.00122 0.01010
N00O 3 0.830200 0.283256 0.369789 11.00000 0.02156 0.01894 =
0.01887 -0.00100 0.00042 0.00103
N00P 3 0.692876 0.761180 0.641235 11.00000 0.02482 0.02963 =
0.01913 -0.00348 0.00095 0.00037
N00Q 3 0.580138 1.057920 0.789615 11.00000 0.02367 0.01626 =
0.01958 -0.00137 0.00201 -0.00086
N00R 3 0.818649 0.231295 0.293449 11.00000 0.01796 0.02308 =
0.01824 0.00070 -0.00177 0.00248
N00S 3 0.650214 1.245591 0.694315 11.00000 0.01969 0.01731 =
0.01652 0.00112 0.00087 -0.00084
N00T 3 0.775084 1.013286 0.511029 11.00000 0.03194 0.01912 =
0.02221 -0.00320 0.00505 -0.00035
O00U 4 0.667393 0.642255 0.683772 11.00000 0.07706 0.04819 =
0.03173 -0.00027 0.02722 -0.02062
N00V 3 0.906174 0.124446 0.182156 11.00000 0.02282 0.02657 =
0.02197 -0.00405 0.00026 -0.00187
N00W 3 0.515280 1.254695 0.509998 11.00000 0.02176 0.02579 =
0.01953 0.00302 0.00145 0.00212
N00X 3 0.959340 0.304290 0.465437 11.00000 0.02198 0.03381 =
0.02216 -0.00483 -0.00023 0.00188
C00Y 1 0.723415 0.715811 0.562399 11.00000 0.01669 0.02054 =
0.01701 -0.00352 0.00151 -0.00074
C00Z 1 0.550784 1.222416 0.590455 11.00000 0.01518 0.01886 =
0.01773 -0.00187 0.00241 0.00192
C010 1 0.578514 1.144186 0.713522 11.00000 0.01857 0.01698 =
0.01565 -0.00022 0.00171 0.00260
C011 1 0.513128 1.126770 0.650404 11.00000 0.01661 0.01498 =
0.02061 -0.00175 0.00176 0.00009
C012 1 0.899211 0.175091 0.264270 11.00000 0.01858 0.01275 =
0.01950 -0.00107 0.00183 0.00149
C013 1 0.967639 0.188531 0.323650 11.00000 0.01879 0.01239 =
0.01918 -0.00006 0.00226 -0.00126
C014 1 0.762510 0.828106 0.507055 11.00000 0.01846 0.01542 =
0.02119 -0.00244 0.00190 -0.00011
C015 1 0.920707 0.257238 0.386838 11.00000 0.01872 0.01504 =
0.01974 0.00027 -0.00114 -0.00104
C016 1 0.779734 0.716038 0.443823 11.00000 0.01729 0.01856 =
0.01815 0.00055 0.00025 -0.00074
H00R 2 0.762097 0.236376 0.268652 11.00000 -1.20000
H00H 2 0.664781 1.365029 0.593286 11.00000 -1.20000
H00M 2 0.761409 0.464939 0.432810 11.00000 0.03967
HKLF 4
REM 2tnp_p07_a.res in P2(1)/c
REM wR2 = 0.107145, GooF = S = 1.04070, Restrained GooF = 0.96003 for all data
REM R1 = 0.036618 for 1468 Fo > 4sig(Fo) and 0.054641 for all 1871 data
REM 389 parameters refined using 306 restraints
END
WGHT 0.0665 1.0444
REM Highest difference peak 0.176, deepest hole -0.177, 1-sigma level 0.046
Q1 1 0.9422 0.2109 0.2851 11.00000 0.05 0.18
Q2 1 0.2817 1.1764 0.7188 11.00000 0.05 0.16
Q3 1 0.8014 0.3367 0.3947 11.00000 0.05 0.16
Q4 1 0.5334 1.2393 0.5574 11.00000 0.05 0.16
Q5 1 0.9651 0.2444 0.3597 11.00000 0.05 0.16
Q6 1 0.5851 1.2578 0.5975 11.00000 0.05 0.15
Q7 1 0.7867 0.9100 0.6602 11.00000 0.05 0.15
Q8 1 0.9362 -0.0737 0.1945 11.00000 0.05 0.15
Q9 1 0.7030 1.3031 0.7240 11.00000 0.05 0.15
Q10 1 0.7208 0.7908 0.5245 11.00000 0.05 0.15
Q11 1 0.6664 1.1821 0.4645 11.00000 0.05 0.14
Q12 1 1.0408 0.0628 0.4747 11.00000 0.05 0.14
Q13 1 0.7870 0.1313 0.1969 11.00000 0.05 0.14
Q14 1 0.8230 0.0305 0.1749 11.00000 0.05 0.14
Q15 1 0.6869 1.1945 0.7185 11.00000 0.05 0.14
Q16 1 0.5361 1.1672 0.7014 11.00000 0.05 0.14
Q17 1 0.4818 0.8447 0.6637 11.00000 0.05 0.14
Q18 1 0.9461 0.1514 0.3719 11.00000 0.05 0.14
Q19 1 0.6196 1.1890 0.7015 11.00000 0.05 0.13
Q20 1 0.4371 1.1549 0.4359 11.00000 0.05 0.13
;
_shelx_res_checksum 12770
_shelx_hkl_file
;
2 0 0 282.47 12.30
2 0 0 282.47 11.90
-2 0 0 283.87 12.00
3 0 0 1386.06 52.59
-3 0 0 1342.07 53.09
4 0 0 334.87 16.20
4 0 0 333.87 18.30
-4 0 0 327.87 16.60
5 0 0 1282.87 52.49
-5 0 0 1252.37 52.29
-5 0 0 1272.57 51.49
5 0 0 1321.97 51.69
-6 0 0 667.73 32.20
6 0 0 703.53 32.30
6 0 0 665.03 31.40
-6 0 0 697.33 31.20
6 0 0 704.33 31.30
-1 -1 0 210.38 8.60
-1 -1 0 201.18 9.30
-1 -1 0 209.88 8.60
-1 -1 0 211.38 9.30
1 1 0 208.98 9.30
1 1 0 204.88 9.20
-2 -1 0 1.80 1.00
-2 -1 0 3.40 2.10
-2 -1 0 5.00 2.60
-2 -1 0 3.80 2.20
-2 -1 0 3.50 2.20
-2 -1 0 1.50 0.90
-2 -1 0 1.90 1.10
2 1 0 2.30 2.50
2 1 0 4.50 1.20
2 1 0 3.50 1.30
2 1 0 4.30 2.10
2 1 0 3.50 2.10
2 1 0 1.50 2.10
2 1 0 2.10 1.10
2 1 0 4.50 1.10
-4 -1 0 1221.98 49.99
-4 -1 0 1216.78 47.40
-4 -1 0 1255.97 49.60
-4 -1 0 1277.57 47.50
-4 -1 0 1229.18 49.70
4 1 0 1304.07 47.60
4 1 0 1202.18 47.00
4 1 0 1224.28 47.20
4 1 0 1268.97 47.90
4 1 0 1239.18 49.20
4 1 0 1194.48 49.80
4 1 0 1252.17 49.90
4 1 0 1272.57 49.70
4 1 0 1283.27 50.29
-5 -1 0 248.18 12.30
-5 -1 0 250.17 16.50
-5 -1 0 266.47 16.70
-5 -1 0 258.87 12.30
-5 -1 0 294.07 16.20
5 1 0 264.97 16.10
5 1 0 270.57 13.00
5 1 0 286.77 12.10
5 1 0 257.57 15.20
5 1 0 274.67 12.40
5 1 0 301.47 16.10
-6 -1 0 247.38 18.50
-6 -1 0 266.57 18.70
-6 -1 0 259.67 12.10
-6 -1 0 259.07 12.30
6 1 0 243.18 16.40
6 1 0 241.38 12.60
6 1 0 240.28 13.50
6 1 0 256.67 11.80
6 1 0 260.97 17.50
6 1 0 232.48 17.00
-7 -1 0 400.06 17.80
-7 -1 0 411.66 17.00
-7 -1 0 336.67 16.40
-7 -1 0 304.37 22.90
-7 -1 0 283.07 24.00
7 1 0 322.27 16.50
7 1 0 344.57 16.20
7 1 0 383.96 22.10
7 1 0 369.16 23.30
7 1 0 360.56 22.70
-8 -1 0 69.09 8.30
-8 -1 0 60.49 6.50
-8 -1 0 65.09 7.10
-8 -1 0 90.09 16.40
-8 -1 0 46.20 13.30
8 1 0 60.19 12.30
8 1 0 45.20 11.70
8 1 0 50.29 5.90
8 1 0 57.29 13.40
8 1 0 58.09 6.40
-9 -1 0 19.70 14.50
-9 -1 0 15.30 6.20
-9 -1 0 21.20 13.10
-9 -1 0 17.80 7.80
-9 -1 0 24.80 5.80
9 1 0 26.60 5.70
9 1 0 27.10 12.10
9 1 0 19.10 6.00
9 1 0 8.20 11.50
9 1 0 16.90 11.30
-10 -1 0 993.20 39.50
-10 -1 0 862.51 50.19
-10 -1 0 958.60 39.00
10 1 0 938.21 38.80
10 1 0 933.21 38.50
10 1 0 862.31 46.10
-11 -1 0 156.98 23.40
-11 -1 0 138.09 11.30
11 1 0 125.09 10.50
11 1 0 128.19 19.70
-2 -2 0 91.79 7.40
-2 -2 0 81.19 6.90
-3 -2 0 61.19 4.60
-3 -2 0 61.59 7.00
-3 -2 0 55.29 6.60
-3 -2 0 52.89 4.40
-3 -2 0 58.29 6.80
3 2 0 70.69 5.30
3 2 0 42.00 6.30
3 2 0 58.09 7.50
3 2 0 68.39 5.10
3 2 0 67.89 7.10
3 2 0 62.69 7.40
3 2 0 61.89 4.80
-4 -2 0 175.98 8.60
-4 -2 0 161.28 12.70
-4 -2 0 181.08 8.20
-4 -2 0 171.38 12.80
-4 -2 0 177.08 14.50
4 2 0 124.69 8.60
4 2 0 166.18 9.00
4 2 0 166.68 12.60
4 2 0 129.99 8.50
4 2 0 188.48 12.50
4 2 0 164.68 12.10
-5 -2 0 733.73 35.70
-5 -2 0 777.62 34.40
-5 -2 0 776.22 30.20
5 2 0 761.52 30.70
5 2 0 723.13 33.70
5 2 0 754.02 30.30
5 2 0 786.22 35.50
5 2 0 773.12 30.50
5 2 0 763.12 31.20
5 2 0 700.73 33.60
5 2 0 771.72 34.90
-6 -2 0 2393.56 100.39
-6 -2 0 2474.75 100.49
-6 -2 0 2409.36 99.09
-6 -2 0 2507.45 101.99
-6 -2 0 2385.76 94.09
-6 -2 0 2408.56 94.19
6 2 0 2502.85 93.99
6 2 0 2651.63 97.99
6 2 0 2444.86 99.79
6 2 0 2618.84 95.19
6 2 0 2461.05 98.49
6 2 0 2514.55 97.99
6 2 0 2583.44 98.89
6 2 0 2469.95 94.39
6 2 0 2491.65 94.09
6 2 0 2503.45 101.89
-7 -2 0 238.88 19.90
-7 -2 0 260.07 18.90
-7 -2 0 250.37 22.00
-7 -2 0 258.77 13.20
7 2 0 229.88 13.60
7 2 0 247.68 18.20
7 2 0 243.18 12.70
7 2 0 263.67 20.50
7 2 0 268.97 19.10
7 2 0 230.28 15.10
7 2 0 249.48 13.00
7 2 0 236.28 18.90
7 2 0 201.58 18.20
-8 -2 0 407.66 19.30
-8 -2 0 391.46 27.40
-8 -2 0 400.26 29.90
-8 -2 0 408.56 19.30
8 2 0 428.66 18.80
8 2 0 413.86 18.10
8 2 0 412.16 28.00
8 2 0 402.06 19.60
8 2 0 396.06 18.80
8 2 0 375.96 25.50
8 2 0 359.36 26.00
8 2 0 421.36 27.60
8 2 0 380.16 21.10
-9 -2 0 -1.10 5.80
-9 -2 0 25.60 16.40
-9 -2 0 -7.30 6.00
9 2 0 -1.10 5.80
9 2 0 5.60 5.40
9 2 0 -4.70 6.30
9 2 0 8.00 11.70
9 2 0 -14.70 12.60
9 2 0 12.90 13.90
9 2 0 0.00 5.20
9 2 0 1.00 7.90
9 2 0 12.20 14.60
-10 -2 0 307.57 28.10
-10 -2 0 292.17 17.40
-10 -2 0 270.47 17.70
10 2 0 307.77 26.50
10 2 0 305.47 15.90
10 2 0 294.87 17.00
10 2 0 332.27 25.20
10 2 0 308.97 16.80
-11 -2 0 420.96 23.00
-11 -2 0 415.66 34.30
-11 -2 0 452.85 22.60
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9 2 1 571.54 33.70
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-10 -2 -1 387.56 31.40
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2 -2 8 2062.79 78.99
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3 -2 8 55.89 6.60
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4 -2 8 122.59 9.90
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4 2 8 147.39 18.40
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5 2 8 510.05 31.00
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6 2 8 137.29 17.70
6 2 8 109.79 15.90
6 2 8 101.89 18.30
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8 2 8 206.68 24.40
8 2 8 249.68 24.30
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9 2 8 437.36 39.70
9 2 8 571.64 39.10
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11 2 8 1.90 21.40
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12 2 8 267.87 31.60
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13 2 8 382.16 36.70
13 2 8 248.48 32.30
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13 3 -8 -0.30 14.10
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11 3 -8 109.79 14.40
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11 3 -8 115.09 20.10
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10 3 -8 590.14 36.60
10 3 -8 576.44 37.20
10 3 -8 566.24 35.50
10 3 -8 497.25 38.80
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9 3 -8 21.90 10.80
9 3 -8 36.40 15.40
9 3 -8 38.90 15.80
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8 3 -8 1252.97 50.19
8 3 -8 1149.08 52.39
8 3 -8 1230.28 58.99
8 3 -8 1119.59 51.79
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-7 -3 8 2181.48 87.29
7 3 -8 2124.59 85.69
7 3 -8 2154.18 86.59
7 3 -8 2210.18 86.69
7 3 -8 2266.37 87.09
7 3 -8 2203.88 90.39
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6 3 -8 348.97 22.70
6 3 -8 431.76 23.90
6 3 -8 436.66 22.40
6 3 -8 345.77 27.50
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5 3 -8 839.72 37.40
5 3 -8 893.51 37.10
5 3 -8 862.61 38.80
5 3 -8 857.41 37.10
5 3 -8 863.71 36.20
5 3 -8 823.02 41.00
5 3 -8 812.52 38.60
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4 3 -8 14.40 8.20
4 3 -8 12.20 6.90
4 3 -8 7.60 7.80
4 3 -8 10.40 8.30
4 3 -8 9.30 6.40
4 3 -8 13.70 8.30
4 3 -8 9.50 10.70
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3 3 -8 756.92 34.20
3 3 -8 760.82 36.80
3 3 -8 816.82 35.40
3 3 -8 738.63 33.90
3 3 -8 756.32 34.90
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2 3 -8 222.78 16.80
2 3 -8 241.08 16.50
2 3 -8 274.57 18.40
2 3 -8 240.68 17.00
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1 3 -8 1514.95 60.99
1 3 -8 1501.85 60.99
1 3 -8 1496.15 61.29
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0 3 -8 928.31 39.20
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2 -3 8 562.44 27.40
2 -3 8 576.44 26.20
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8 3 8 113.69 25.30
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9 3 8 309.47 31.90
9 3 8 264.97 27.00
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10 3 8 193.38 26.90
10 3 8 131.09 25.20
10 3 8 122.99 26.90
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11 3 8 85.09 25.80
11 3 8 121.89 26.60
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12 3 8 -1.50 23.50
12 3 8 24.90 24.90
13 3 8 123.69 48.40
13 3 8 17.90 25.10
14 3 8 27.40 26.30
14 3 8 74.39 29.70
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14 4 -8 45.70 23.60
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13 4 -8 209.38 27.30
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11 4 -8 5.40 13.50
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7 4 -8 20.10 20.30
7 4 -8 17.90 13.50
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3 4 -8 16.50 8.50
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13 5 -8 18.30 17.80
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12 5 -8 75.99 22.30
12 5 -8 71.49 22.70
12 5 -8 22.60 20.90
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6 1 9 241.28 19.20
6 1 9 199.28 20.20
6 1 9 189.78 20.10
-6 1 -9 175.78 19.40
-6 1 -9 207.78 12.70
-6 1 -9 254.87 13.20
7 -1 9 0.50 5.10
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-7 -1 -9 10.50 14.90
7 -1 9 12.40 13.80
7 -1 9 5.70 11.90
7 -1 9 9.60 13.10
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7 1 9 -8.80 13.40
7 1 9 -3.10 13.90
-7 1 -9 10.60 15.20
7 1 9 7.50 15.40
-7 1 -9 0.90 5.20
-8 -1 -9 -26.00 21.10
8 -1 9 4.90 13.40
-8 -1 -9 19.40 17.50
8 -1 9 24.20 16.60
8 -1 9 -4.80 4.90
8 1 9 -5.40 15.30
-8 1 -9 7.60 5.20
-8 1 -9 -0.10 5.20
-8 1 -9 -3.00 17.90
8 1 9 6.70 18.80
-9 -1 -9 1242.08 64.69
9 -1 9 1142.69 64.09
9 -1 9 1189.08 46.20
9 1 9 1190.98 58.19
9 1 9 1201.38 60.19
-9 1 -9 1164.18 46.50
-9 1 -9 1200.08 46.50
-9 1 -9 1284.67 63.29
-10 -1 -9 23.20 23.90
10 1 9 45.20 19.10
10 1 9 49.10 20.30
-10 1 -9 40.00 45.60
-11 -1 -9 183.78 32.60
11 1 9 182.48 27.60
11 1 9 156.28 24.20
-12 -1 -9 177.18 35.40
12 1 9 192.18 29.60
12 1 9 173.08 27.30
-13 -1 -9 -32.40 30.50
13 1 9 -9.60 25.90
13 1 9 1.00 24.40
14 1 9 -18.10 25.00
-15 -1 -9 375.36 77.29
15 1 9 219.68 38.70
15 1 9 311.47 46.40
-10 -2 9 6.20 14.40
-10 -2 9 21.10 17.80
10 2 -9 6.90 15.20
-9 -2 9 640.84 35.00
-9 -2 9 614.64 36.80
9 2 -9 543.15 37.10
9 2 -9 599.14 38.70
-8 -2 9 33.80 13.00
-8 -2 9 63.19 14.50
8 2 -9 54.29 13.50
8 2 -9 28.90 14.70
-7 -2 9 137.79 14.80
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7 2 -9 111.29 15.80
7 2 -9 112.29 13.90
-6 -2 9 130.09 14.20
-6 -2 9 122.89 12.80
6 2 -9 81.49 14.00
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6 2 -9 120.79 11.20
-5 -2 9 202.68 16.10
-5 -2 9 199.08 16.10
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5 2 -9 176.18 13.40
5 2 -9 227.88 13.20
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5 2 -9 178.88 13.70
5 2 -9 179.18 12.50
-4 -2 9 541.25 28.70
4 2 -9 527.65 26.00
4 2 -9 551.24 26.80
4 2 -9 559.04 30.30
4 2 -9 585.04 23.40
4 2 -9 551.64 28.00
-3 -2 9 533.55 27.40
-3 -2 9 518.75 27.00
3 2 -9 545.15 29.20
3 2 -9 511.95 26.60
3 2 -9 587.64 26.20
3 2 -9 533.35 25.00
-2 -2 9 59.89 9.40
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2 2 -9 94.89 9.30
2 2 -9 64.69 8.20
2 2 -9 82.19 10.00
2 2 -9 80.79 11.30
2 2 -9 67.69 8.70
-1 -2 9 242.08 16.10
-1 -2 9 229.58 16.80
-1 -2 9 250.17 16.60
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1 2 -9 243.58 18.60
1 2 -9 247.68 16.20
1 2 -9 216.18 15.60
1 2 -9 251.77 15.40
1 2 -9 245.28 17.90
1 2 -9 231.68 14.40
0 -2 9 40.90 8.00
0 -2 9 41.40 8.10
0 -2 9 39.30 7.70
0 2 -9 28.60 7.30
0 2 -9 32.70 7.60
0 2 -9 42.10 9.30
0 2 -9 39.70 7.20
0 2 -9 38.10 8.30
1 -2 9 829.12 35.60
-1 2 -9 825.72 35.50
-1 2 -9 816.12 36.00
-1 2 -9 828.52 36.10
-1 2 -9 872.11 35.50
2 -2 9 501.25 23.70
2 -2 9 527.45 24.50
2 -2 9 547.85 23.00
2 -2 9 511.45 22.70
-2 2 -9 505.45 24.60
-2 2 -9 518.75 24.50
-2 2 -9 486.85 24.50
-2 2 -9 515.05 24.80
-2 2 -9 513.45 24.10
-2 2 -9 519.55 24.00
3 -2 9 765.52 33.60
3 -2 9 790.22 35.20
3 -2 9 788.32 35.20
-3 2 -9 788.02 33.70
-3 2 -9 833.02 35.20
-3 2 -9 759.62 34.00
-3 2 -9 788.92 34.00
-4 -2 -9 1502.75 64.79
4 -2 9 1453.05 60.79
-4 -2 -9 1417.46 65.19
-4 -2 -9 1465.75 65.19
4 -2 9 1469.85 60.59
4 -2 9 1528.65 58.29
4 2 9 1491.45 67.99
4 2 9 1532.45 65.79
-4 2 -9 1491.95 61.69
-4 2 -9 1479.55 59.49
-4 2 -9 1575.74 61.99
5 -2 9 50.19 7.00
5 -2 9 46.50 9.10
-5 -2 -9 57.89 5.20
5 -2 9 50.79 11.00
-5 -2 -9 60.49 14.90
-5 -2 -9 56.59 15.30
-5 2 -9 67.69 13.30
5 2 9 63.19 13.60
5 2 9 57.49 5.50
5 2 9 58.59 15.30
-5 2 -9 51.49 8.20
5 2 9 36.00 14.70
-5 2 -9 64.49 13.60
5 2 9 64.89 6.60
6 -2 9 192.08 14.20
6 -2 9 184.88 16.80
6 -2 9 192.38 12.60
-6 -2 -9 239.18 22.50
6 2 9 197.78 22.90
6 2 9 183.18 20.30
-6 2 -9 204.88 19.20
-6 2 -9 192.98 14.30
-6 2 -9 218.48 20.10
7 -2 9 344.67 18.30
7 -2 9 287.27 22.40
7 -2 9 326.27 16.60
-7 -2 -9 339.27 27.90
7 -2 9 325.17 17.60
-7 2 -9 306.97 25.40
7 2 9 294.57 28.40
-7 2 -9 320.07 18.20
-7 2 -9 348.57 25.40
7 2 9 328.17 26.50
-7 2 -9 334.27 17.80
-8 -2 -9 4.70 17.80
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8 2 9 -0.90 17.90
8 2 9 -7.70 16.60
8 2 9 16.60 19.30
-9 -2 -9 52.89 21.90
-9 -2 -9 -2.20 18.70
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9 2 9 45.70 19.80
9 2 9 -18.20 18.70
-10 -2 -9 85.99 23.60
10 2 9 72.89 22.80
10 2 9 103.09 22.70
-11 -2 -9 11.10 24.30
11 2 9 4.40 21.40
11 2 9 17.80 23.60
12 2 9 125.69 26.70
12 2 9 92.79 27.10
-14 -2 -9 106.99 38.90
14 2 9 70.59 27.80
14 2 9 122.09 32.00
-12 -3 9 2.30 21.00
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-12 -3 9 0.60 14.20
-12 -3 9 4.20 21.00
12 3 -9 -8.60 13.40
12 3 -9 10.00 12.70
12 3 -9 -9.50 18.40
12 3 -9 -26.80 17.40
-11 -3 9 -2.00 14.50
-11 -3 9 11.80 14.40
-11 -3 9 -2.80 19.30
-11 -3 9 7.10 20.20
11 3 -9 10.80 17.20
11 3 -9 11.80 13.30
11 3 -9 16.60 17.80
11 3 -9 8.90 17.70
11 3 -9 12.90 12.10
-10 -3 9 37.10 19.20
-10 -3 9 14.30 18.30
-10 -3 9 24.10 13.60
-10 -3 9 25.20 15.10
10 3 -9 29.50 15.70
10 3 -9 5.80 14.00
10 3 -9 12.70 16.30
10 3 -9 24.80 16.50
10 3 -9 0.00 12.40
10 3 -9 23.30 12.10
-9 -3 9 262.77 21.60
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9 3 -9 244.98 20.40
9 3 -9 244.88 21.10
9 3 -9 218.68 19.60
9 3 -9 230.48 18.20
-8 -3 9 184.58 18.70
-8 -3 9 165.98 19.50
-8 -3 9 191.88 18.00
8 3 -9 180.08 16.70
8 3 -9 170.38 19.70
8 3 -9 170.48 17.00
8 3 -9 196.48 15.80
8 3 -9 144.99 17.70
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7 3 -9 63.09 12.80
7 3 -9 58.99 17.90
7 3 -9 48.20 11.40
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6 3 -9 45.50 11.50
6 3 -9 20.10 9.50
6 3 -9 31.90 9.80
6 3 -9 22.90 12.80
6 3 -9 34.10 10.60
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4 3 -9 97.49 14.90
4 3 -9 123.59 13.00
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3 3 -9 934.71 42.80
3 3 -9 889.71 39.90
3 3 -9 848.22 39.10
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2 3 -9 107.69 11.90
2 3 -9 107.39 11.60
2 3 -9 127.09 13.10
2 3 -9 109.09 10.90
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1 3 -9 12.40 8.60
1 3 -9 11.40 8.10
1 3 -9 7.60 8.30
1 3 -9 9.90 7.50
0 -3 9 490.55 24.50
0 3 -9 475.65 25.40
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0 3 -9 455.85 24.60
0 3 -9 445.66 23.80
1 -3 9 -0.10 6.40
1 -3 9 4.50 4.80
1 -3 9 9.30 8.20
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-1 3 -9 -2.30 9.80
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-1 3 -9 5.20 10.60
2 -3 9 85.89 8.60
2 -3 9 104.79 11.10
2 -3 9 90.99 10.90
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3 -3 9 -3.90 7.80
3 -3 9 -1.10 6.50
-3 3 -9 -1.90 7.40
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8 3 9 195.48 25.40
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9 3 9 139.09 23.30
9 3 9 133.29 26.80
9 3 9 84.39 22.70
-10 -3 -9 161.98 33.60
-10 -3 -9 130.49 25.90
10 3 9 117.29 25.20
10 3 9 123.59 25.50
10 3 9 111.99 28.60
-11 -3 -9 121.59 27.10
11 3 9 59.49 24.80
11 3 9 53.19 24.90
-12 -3 -9 66.69 30.30
12 3 9 54.29 26.50
12 3 9 23.40 24.80
13 3 9 22.80 26.90
13 3 9 -22.40 24.00
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13 4 -9 -3.20 20.60
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12 4 -9 10.60 19.90
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11 4 -9 177.58 25.20
11 4 -9 212.58 20.90
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10 4 -9 81.59 20.40
10 4 -9 97.69 16.70
10 4 -9 126.09 18.40
10 4 -9 87.19 18.90
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8 4 -9 47.40 14.10
8 4 -9 31.40 14.20
8 4 -9 55.39 13.50
8 4 -9 38.40 17.20
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7 4 -9 614.04 32.90
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7 4 -9 564.94 31.20
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5 4 -9 342.67 25.10
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4 4 -9 34.70 12.00
4 4 -9 20.00 14.70
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3 4 -9 721.83 30.10
3 4 -9 775.02 36.00
3 4 -9 712.33 30.70
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1 4 -9 17.00 12.10
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1 -4 9 1195.58 51.19
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11 4 9 50.79 33.50
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10 5 -9 27.10 18.20
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2 -3 15 3.70 13.30
-2 3 -15 -2.90 12.60
-2 3 -15 5.30 15.20
3 -3 15 176.08 18.20
-3 3 -15 191.08 20.00
-3 3 -15 132.69 19.30
5 -3 15 163.48 17.50
-5 3 -15 186.78 20.20
6 -3 15 100.59 14.80
-6 3 -15 64.49 16.00
-8 -4 15 89.29 21.20
8 4 -15 130.79 25.90
8 4 -15 89.09 20.30
-7 -4 15 199.98 25.90
7 4 -15 187.88 23.00
7 4 -15 203.38 29.60
-6 -4 15 -6.90 18.70
6 4 -15 45.80 27.20
6 4 -15 23.60 16.50
5 4 -15 37.30 16.90
4 4 -15 -18.20 17.50
4 4 -15 9.40 14.70
-3 -4 15 39.00 16.90
3 4 -15 69.99 16.50
3 4 -15 19.40 18.90
-2 -4 15 1.90 14.90
2 4 -15 8.30 14.80
2 4 -15 -9.80 17.60
-1 -4 15 93.69 17.90
1 4 -15 89.89 19.90
1 4 -15 80.99 16.90
0 -4 15 7.10 15.00
0 4 -15 12.10 17.40
0 4 -15 -9.70 14.40
1 -4 15 -11.10 14.20
-1 4 -15 21.40 17.20
-1 4 -15 -8.70 13.40
2 -4 15 2.10 14.20
2 -4 15 10.20 14.90
-2 4 -15 9.70 14.40
-2 4 -15 33.10 17.40
3 -4 15 237.68 21.30
3 -4 15 195.48 19.80
-3 4 -15 197.38 20.10
-3 4 -15 158.58 22.60
4 -4 15 2.70 13.00
4 -4 15 6.10 13.90
-4 4 -15 12.60 13.20
-4 4 -15 -16.20 15.60
6 5 -15 148.89 28.80
6 5 -15 153.48 22.80
-5 -5 15 1.90 18.60
5 5 -15 19.40 21.40
5 5 -15 -11.70 16.30
-4 -5 15 44.80 18.20
4 5 -15 10.90 21.30
4 5 -15 0.00 16.90
-3 -5 15 43.60 23.80
3 5 -15 14.30 18.20
3 5 -15 42.00 23.90
-2 -5 15 16.50 23.30
-1 -5 15 21.30 16.90
-1 -5 15 -1.40 17.40
1 5 -15 21.40 17.40
1 5 -15 28.70 17.40
1 5 -15 58.69 22.40
0 -5 15 -11.80 15.30
0 -5 15 19.90 17.00
0 5 -15 17.20 19.60
0 5 -15 19.90 16.70
1 0 16 895.81 43.70
-1 0 -16 955.80 42.90
1 0 16 872.71 43.20
1 0 16 871.01 42.10
-1 0 -16 948.21 43.30
1 0 16 981.60 47.20
-2 0 -16 225.78 17.60
2 0 16 228.78 19.80
-2 0 -16 241.08 23.10
2 0 16 196.28 17.40
2 0 16 209.98 18.20
-2 0 -16 245.28 16.20
3 0 16 188.88 15.60
3 0 16 140.19 19.00
-3 0 -16 155.38 14.40
-3 0 -16 133.69 17.80
-3 0 -16 150.58 14.40
3 0 16 151.88 17.80
4 0 16 10.00 15.00
-4 0 -16 -7.60 9.50
4 0 16 -26.40 9.00
-4 0 -16 1.20 8.80
4 0 16 19.30 18.00
5 0 16 2.90 17.00
5 0 16 5.60 16.20
6 0 16 205.28 22.90
7 0 16 935.01 51.39
8 0 16 199.08 25.70
8 0 16 204.58 27.10
9 0 16 16.00 20.80
9 0 16 14.30 22.40
10 0 16 213.38 29.80
10 0 16 276.07 33.00
-2 -1 16 212.18 21.40
2 1 -16 193.38 17.60
-1 -1 16 5.00 13.50
1 1 -16 11.90 10.80
0 -1 16 52.89 15.30
0 -1 16 31.70 13.00
0 1 -16 66.19 13.80
0 1 -16 64.39 22.00
1 -1 16 123.69 16.30
1 -1 16 119.89 16.00
-1 1 -16 173.08 14.40
-1 1 -16 154.78 15.50
2 -1 16 176.58 17.10
-3 1 -16 -0.90 10.60
-4 -1 -16 912.71 50.59
-4 -1 -16 996.30 50.09
-4 1 -16 1012.30 43.10
4 1 16 828.62 48.40
-4 1 -16 1021.80 43.20
4 1 16 821.62 50.79
-5 -1 -16 7.50 20.40
-5 -1 -16 22.20 20.80
-5 1 -16 40.10 11.30
-5 1 -16 43.00 10.50
-6 -1 -16 -26.30 19.30
6 1 16 -8.30 18.10
-7 -1 -16 14.20 25.90
7 -1 16 -2.30 17.80
7 1 16 11.60 20.80
8 -1 16 305.57 29.70
8 1 16 328.97 31.70
9 -1 16 11.40 21.90
9 1 16 11.60 22.00
10 -1 16 75.29 24.90
10 1 16 89.19 26.00
10 1 16 93.39 28.30
-5 -2 16 108.39 19.90
5 2 -16 119.49 23.00
5 2 -16 123.99 16.70
-4 -2 16 108.99 17.90
-4 -2 16 100.19 19.40
4 2 -16 85.49 21.20
4 2 -16 94.69 16.50
4 2 -16 96.59 15.40
-3 -2 16 19.90 14.50
-3 -2 16 26.30 16.80
3 2 -16 24.70 13.60
3 2 -16 47.20 13.50
3 2 -16 26.60 18.40
-2 -2 16 130.39 17.60
-2 -2 16 128.19 18.50
2 2 -16 79.99 20.20
2 2 -16 97.99 14.90
2 2 -16 84.39 15.90
-1 -2 16 20.50 14.20
1 2 -16 41.40 17.30
1 2 -16 29.90 13.50
0 -2 16 592.64 35.00
0 2 -16 600.44 34.10
0 2 -16 611.94 39.70
-1 2 -16 18.50 15.90
-1 2 -16 2.90 12.30
-2 2 -16 685.13 44.10
-3 2 -16 421.86 27.70
-3 2 -16 428.96 33.60
-4 2 -16 151.58 20.70
-4 2 -16 149.09 18.40
-5 2 -16 996.50 50.29
-6 2 -16 38.80 15.70
-8 -2 -16 49.00 24.30
8 2 16 7.30 22.40
-9 -2 -16 106.49 33.60
9 2 16 74.19 26.00
10 2 16 45.20 26.60
-8 -3 16 23.00 18.70
-8 -3 16 -6.60 17.10
8 3 -16 -15.10 14.00
8 3 -16 -6.60 16.40
8 3 -16 14.70 21.70
-7 -3 16 67.29 20.60
-7 -3 16 89.49 20.20
7 3 -16 66.59 16.60
7 3 -16 112.99 25.70
7 3 -16 88.89 18.80
-6 -3 16 84.39 21.70
-6 -3 16 87.59 20.00
6 3 -16 56.89 20.10
6 3 -16 94.19 23.90
6 3 -16 49.20 18.30
-5 -3 16 391.06 29.20
5 3 -16 362.46 27.60
5 3 -16 416.36 34.70
-4 -3 16 11.80 16.80
4 3 -16 24.30 16.10
4 3 -16 62.69 21.00
-3 -3 16 92.19 17.90
3 3 -16 140.09 23.10
3 3 -16 109.59 17.50
-2 -3 16 38.60 15.20
2 3 -16 47.30 18.30
2 3 -16 30.30 14.90
1 3 -16 53.99 18.50
1 3 -16 60.29 15.80
0 3 -16 8.70 17.20
0 3 -16 -4.60 12.90
-1 3 -16 108.39 16.80
-1 3 -16 81.19 19.10
-2 3 -16 279.07 26.50
-2 3 -16 296.37 23.20
-3 3 -16 375.56 28.30
-3 3 -16 395.66 30.50
4 -3 16 226.38 21.00
-4 3 -16 198.78 23.20
5 -3 16 69.29 15.80
-5 3 -16 89.69 19.40
-7 -4 16 -6.80 23.90
7 4 -16 -6.10 24.80
7 4 -16 19.40 21.10
-6 -4 16 154.88 23.10
6 4 -16 156.48 27.10
6 4 -16 114.49 20.90
5 4 -16 5.60 21.00
5 4 -16 17.30 17.70
4 4 -16 234.48 26.00
4 4 -16 301.57 31.30
3 4 -16 2.70 15.50
3 4 -16 27.00 21.50
2 4 -16 253.17 23.60
2 4 -16 208.78 27.20
-1 -4 16 353.26 28.70
1 4 -16 402.66 28.60
1 4 -16 368.66 32.40
0 -4 16 335.97 27.60
0 4 -16 372.46 27.50
0 4 -16 342.87 30.50
1 -4 16 52.89 17.60
-1 4 -16 94.39 18.10
-1 4 -16 46.10 19.10
2 -4 16 14.10 15.60
-2 4 -16 23.70 17.80
3 -4 16 17.30 15.20
-3 4 -16 35.40 18.20
-4 4 -16 839.42 48.30
-4 -5 16 29.50 19.60
4 5 -16 7.60 21.80
4 5 -16 0.70 18.60
-3 -5 16 -9.70 18.30
3 5 -16 -8.10 20.60
3 5 -16 2.70 18.40
-2 -5 16 93.69 20.20
2 5 -16 92.89 23.40
2 5 -16 64.79 19.60
1 5 -16 19.60 17.00
0 -5 16 -4.40 17.10
0 5 -16 -6.10 19.50
1 -5 16 567.34 54.99
-2 0 -17 -11.00 10.30
2 0 17 0.90 11.50
2 0 17 6.00 12.10
-2 0 -17 10.80 9.80
3 0 17 0.30 11.00
-3 0 -17 10.50 10.70
-4 0 -17 11.10 9.50
-4 0 -17 -7.70 10.20
6 0 17 -24.10 18.70
7 0 17 -6.20 20.80
8 0 17 -8.20 19.70
9 0 17 17.90 21.50
9 0 17 3.70 22.30
-2 -1 17 32.20 15.20
2 1 -17 39.30 12.70
-1 -1 17 120.69 17.00
-1 -1 17 107.09 17.40
1 1 -17 108.39 16.40
1 1 -17 121.09 14.70
0 -1 17 71.39 15.00
0 -1 17 27.10 15.00
0 1 -17 52.59 13.60
0 1 -17 48.80 12.50
1 -1 17 9.30 12.60
-1 1 -17 19.60 12.30
2 -1 17 -18.20 13.30
-2 1 -17 9.00 12.00
-3 1 -17 3.10 11.30
-4 1 -17 123.29 15.10
-6 -1 -17 15.10 19.60
6 1 17 10.50 19.00
7 1 17 21.20 21.30
8 1 17 -8.80 21.50
9 1 17 6.70 22.10
-5 -2 17 72.89 18.20
-5 -2 17 97.79 20.50
5 2 -17 97.49 16.30
5 2 -17 95.99 17.80
-4 -2 17 39.90 16.90
-4 -2 17 16.00 16.90
4 2 -17 16.30 19.20
4 2 -17 40.90 13.90
4 2 -17 30.80 15.80
-3 -2 17 10.00 16.10
-3 -2 17 10.30 15.50
3 2 -17 1.80 13.00
3 2 -17 3.20 18.10
3 2 -17 1.30 14.30
-2 -2 17 4.40 14.50
-2 -2 17 30.20 16.10
2 2 -17 22.40 14.60
2 2 -17 32.50 18.80
2 2 -17 28.60 13.50
-1 -2 17 115.39 18.00
1 2 -17 103.89 20.90
1 2 -17 113.89 16.80
0 -2 17 100.09 17.30
0 2 -17 109.89 16.90
0 2 -17 109.49 20.40
-1 2 -17 19.80 17.40
-1 2 -17 1.90 13.50
-2 2 -17 25.50 13.70
-2 2 -17 46.20 17.70
-3 2 -17 65.19 18.80
-3 2 -17 89.39 15.40
-4 2 -17 77.99 15.00
-5 2 -17 111.79 19.60
-7 -3 17 4.40 19.60
-7 -3 17 8.20 17.20
7 3 -17 17.90 16.20
7 3 -17 -29.30 20.20
7 3 -17 -5.60 16.10
-6 -3 17 65.49 20.60
-6 -3 17 81.09 20.00
6 3 -17 49.30 22.70
6 3 -17 62.79 16.40
6 3 -17 55.99 18.60
-5 -3 17 4.20 16.80
5 3 -17 -0.10 15.80
-3 -3 17 79.49 18.80
3 3 -17 87.79 17.70
3 3 -17 110.29 23.00
-2 -3 17 238.78 23.80
2 3 -17 296.27 29.40
2 3 -17 299.97 24.60
1 3 -17 406.26 29.80
1 3 -17 349.17 32.00
0 3 -17 47.10 19.00
0 3 -17 24.80 16.10
-1 3 -17 128.99 22.00
-1 3 -17 130.19 20.20
-2 3 -17 102.59 18.20
-2 3 -17 139.69 22.10
-3 3 -17 23.50 14.90
-3 3 -17 16.20 17.60
-4 3 -17 4.70 17.20
-5 3 -17 22.00 16.80
5 4 -17 7.00 17.20
5 4 -17 -1.30 21.40
4 4 -17 109.09 24.70
4 4 -17 103.99 20.30
3 4 -17 32.40 22.80
3 4 -17 51.89 17.80
2 4 -17 -2.60 19.90
2 4 -17 -1.70 16.90
1 4 -17 10.50 16.70
1 4 -17 -28.90 32.50
0 4 -17 92.69 23.10
0 4 -17 64.49 17.80
1 -4 17 80.99 19.50
-1 4 -17 105.39 18.80
-1 4 -17 111.39 23.10
2 -4 17 279.77 25.40
-2 4 -17 284.87 29.40
3 -4 17 13.30 15.90
-3 4 -17 20.40 18.50
-2 -5 17 42.60 23.30
2 5 -17 6.00 23.90
2 5 -17 12.50 17.60
-1 -5 17 13.00 18.50
1 5 -17 5.40 21.20
1 5 -17 -10.10 18.40
0 -5 17 -5.00 18.30
0 5 -17 14.80 20.70
1 -5 17 620.74 41.40
-1 5 -17 591.64 45.40
-1 -1 18 12.70 14.20
-1 -1 18 36.10 16.90
1 1 -18 33.00 13.10
1 1 -18 25.10 13.80
0 -1 18 201.98 20.20
0 -1 18 170.18 20.30
0 1 -18 209.98 18.00
0 1 -18 165.28 18.60
1 -1 18 0.40 13.60
-1 1 -18 6.50 12.70
2 -1 18 42.00 14.10
-2 1 -18 42.30 13.70
-4 1 -18 294.27 21.60
-3 -2 18 13.50 16.00
-3 -2 18 7.30 17.20
3 2 -18 28.30 13.80
3 2 -18 29.60 15.60
-2 -2 18 49.40 17.20
2 2 -18 64.19 16.70
2 2 -18 42.00 20.40
-1 -2 18 8.90 15.10
1 2 -18 6.60 18.50
1 2 -18 23.10 14.70
0 -2 18 7.90 14.80
0 2 -18 16.90 18.50
0 2 -18 27.80 15.00
-1 2 -18 23.30 15.10
-1 2 -18 9.20 17.70
-2 2 -18 13.50 17.30
-2 2 -18 -10.30 13.60
-3 2 -18 211.58 20.20
-3 2 -18 188.58 24.10
-4 2 -18 449.76 36.60
-4 2 -18 406.26 29.40
-5 -3 18 -6.10 18.20
5 3 -18 13.00 21.20
5 3 -18 -10.40 17.10
-4 -3 18 -4.00 17.60
4 3 -18 -12.50 20.40
4 3 -18 1.90 16.60
-3 -3 18 -1.90 17.10
3 3 -18 4.80 34.30
3 3 -18 8.00 16.70
2 3 -18 15.40 18.70
1 3 -18 245.38 23.90
1 3 -18 234.18 28.30
0 3 -18 7.90 19.60
0 3 -18 23.90 16.90
-1 3 -18 24.90 20.40
-1 3 -18 -12.90 16.30
-2 3 -18 15.40 19.20
-2 3 -18 -3.80 15.20
-3 3 -18 42.60 15.90
-3 3 -18 48.00 20.20
-4 3 -18 15.80 18.70
3 4 -18 -32.80 19.60
3 4 -18 25.00 17.20
2 4 -18 28.90 21.40
2 4 -18 -17.50 16.70
1 4 -18 11.40 17.60
1 4 -18 1.10 21.10
0 4 -18 8.60 23.80
0 4 -18 17.80 17.50
-2 4 -18 30.50 21.60
-3 4 -18 312.07 31.00
1 -1 19 44.30 15.90
-1 1 -19 62.59 14.90
-2 1 -19 125.39 17.30
-3 1 -19 10.90 13.40
-3 -2 19 40.00 18.00
-3 -2 19 9.60 16.60
3 2 -19 8.80 16.30
3 2 -19 30.60 14.50
2 2 -19 50.29 19.20
-1 -2 19 85.59 18.30
1 2 -19 40.80 16.30
0 -2 19 321.57 25.80
0 2 -19 290.77 24.90
-1 2 -19 7.60 15.40
-2 2 -19 148.89 19.70
-3 2 -19 72.89 16.90
-4 2 -19 53.09 15.60
-3 -3 19 18.90 17.60
3 3 -19 16.10 17.00
3 3 -19 39.40 22.40
2 3 -19 37.10 17.60
2 3 -19 30.20 21.90
1 3 -19 25.20 17.20
0 3 -19 60.09 23.80
-1 3 -19 67.89 22.30
-2 3 -19 63.59 21.90
-2 3 -19 16.60 16.30
-3 3 -19 46.30 20.80
-3 3 -19 37.40 16.70
-1 -2 20 64.19 18.60
1 2 -20 38.90 17.70
0 2 -20 35.20 16.10
-1 2 -20 15.60 15.50
-2 2 -20 67.59 17.20
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 13117
_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 0.44797(16) 1.1637(4) 0.48725(13) 0.0317(8) Uani 1 1 d . . . . .
O002 O 0.81916(17) 0.6352(4) 0.31889(13) 0.0329(8) Uani 1 1 d . . . . .
O003 O 1.12074(16) 0.2611(4) 0.33139(14) 0.0361(8) Uani 1 1 d . . . . .
O004 O 0.70940(17) 1.1060(4) 0.48802(14) 0.0339(8) Uani 1 1 d . . . . .
O005 O 0.91841(18) 0.4179(5) 0.50045(15) 0.0376(9) Uani 1 1 d . . . . .
O006 O 0.65307(15) 1.0573(4) 0.82932(12) 0.0297(8) Uani 1 1 d . . . . .
O007 O 0.85712(19) 0.8947(5) 0.36143(15) 0.0378(9) Uani 1 1 d . . . . .
O008 O 0.55328(18) 1.3650(4) 0.47110(13) 0.0361(9) Uani 1 1 d . . . . .
O009 O 0.50658(17) 0.9895(4) 0.80762(13) 0.0337(9) Uani 1 1 d . . . . .
O1 O 1.08499(18) -0.0095(5) 0.31049(15) 0.0349(9) Uani 1 1 d . . . . .
O00B O 0.69609(18) 0.9144(5) 0.65892(14) 0.0361(9) Uani 1 1 d . . . . .
O00C O 0.98453(17) 0.0900(4) 0.16068(14) 0.0351(9) Uani 1 1 d . . . . .
O2 O 0.83272(16) 0.1209(4) 0.14173(13) 0.0368(9) Uani 1 1 d . . . . .
N00E N 0.71736(18) 0.5542(5) 0.53655(14) 0.0192(8) Uani 1 1 d . . . . .
O00F O 0.4234(2) 0.8809(5) 0.65202(16) 0.0447(10) Uani 1 1 d . . . . .
O00G O 1.03037(17) 0.2274(4) 0.48835(14) 0.0385(8) Uani 1 1 d . . . . .
N00H N 0.63158(19) 1.2915(5) 0.61828(15) 0.0180(8) Uani 1 1 d . . . . .
N00I N 1.0652(2) 0.1405(5) 0.32108(15) 0.0209(9) Uani 1 1 d . . . . .
O00J O 0.8507(2) 1.0670(5) 0.53615(17) 0.0508(10) Uani 1 1 d . . . . .
N00K N 0.4234(2) 1.0387(6) 0.65059(15) 0.0235(9) Uani 1 1 d . . . . .
N00L N 0.82141(19) 0.7518(5) 0.36890(16) 0.0215(9) Uani 1 1 d . . . . .
N00M N 0.75045(19) 0.5571(5) 0.46289(17) 0.0181(9) Uani 1 1 d . . . . .
O00N O 0.35525(17) 1.1336(5) 0.65071(15) 0.0450(10) Uani 1 1 d . . . . .
N00O N 0.83020(18) 0.2833(4) 0.36979(15) 0.0198(8) Uani 1 1 d . . . . .
N00P N 0.69288(19) 0.7612(6) 0.64123(16) 0.0245(9) Uani 1 1 d . . . . .
N00Q N 0.58014(19) 1.0579(4) 0.78961(15) 0.0198(8) Uani 1 1 d . . . . .
N00R N 0.81865(19) 0.2313(4) 0.29345(15) 0.0198(8) Uani 1 1 d . . . . .
N00S N 0.65021(18) 1.2456(4) 0.69431(14) 0.0178(8) Uani 1 1 d . . . . .
N00T N 0.7751(2) 1.0133(5) 0.51103(15) 0.0243(8) Uani 1 1 d . . . . .
O00U O 0.6674(2) 0.6423(5) 0.68377(15) 0.0517(10) Uani 1 1 d . . . . .
N00V N 0.90617(19) 0.1244(5) 0.18216(15) 0.0238(9) Uani 1 1 d . . . . .
N00W N 0.51528(19) 1.2547(5) 0.51000(15) 0.0223(8) Uani 1 1 d . . . . .
N00X N 0.9593(2) 0.3043(5) 0.46544(16) 0.0260(9) Uani 1 1 d . . . . .
C00Y C 0.7234(2) 0.7158(6) 0.56240(18) 0.0181(9) Uani 1 1 d . . . . .
C00Z C 0.5508(2) 1.2224(5) 0.59045(17) 0.0172(9) Uani 1 1 d . . . . .
C010 C 0.5785(2) 1.1442(5) 0.71352(18) 0.0170(9) Uani 1 1 d . . . . .
C011 C 0.5131(2) 1.1268(5) 0.65040(18) 0.0174(9) Uani 1 1 d . . . . .
C012 C 0.8992(2) 0.1751(5) 0.26427(17) 0.0169(9) Uani 1 1 d . . . . .
C013 C 0.9676(2) 0.1885(5) 0.32365(18) 0.0167(9) Uani 1 1 d . . . . .
C014 C 0.7625(2) 0.8281(6) 0.50705(18) 0.0183(9) Uani 1 1 d . . . . .
C015 C 0.9207(2) 0.2572(5) 0.38684(18) 0.0179(10) Uani 1 1 d . . . . .
C016 C 0.7797(2) 0.7160(6) 0.44382(18) 0.0180(10) Uani 1 1 d . . . . .
H00R H 0.762(2) 0.236(5) 0.2687(17) 0.022 Uiso 1 1 d . U . . .
H00H H 0.665(3) 1.365(6) 0.593(2) 0.022 Uiso 1 1 d . U . . .
H00M H 0.761(3) 0.465(7) 0.433(2) 0.040(13) 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 0.0232(15) 0.046(3) 0.0260(13) 0.0019(12) -0.0039(11) -0.0047(12)
O002 0.0448(17) 0.032(3) 0.0232(13) -0.0079(13) 0.0122(12) -0.0065(13)
O003 0.0192(16) 0.043(3) 0.0458(15) -0.0144(14) 0.0017(12) -0.0069(12)
O004 0.0395(17) 0.022(3) 0.0410(15) 0.0048(13) 0.0068(12) 0.0113(12)
O005 0.0323(17) 0.048(3) 0.0320(14) -0.0217(14) -0.0014(13) 0.0078(13)
O006 0.0243(15) 0.041(3) 0.0237(12) 0.0049(12) -0.0055(11) 0.0065(11)
O007 0.0478(19) 0.026(3) 0.0401(15) 0.0049(15) 0.0111(13) -0.0139(14)
O008 0.0467(19) 0.039(4) 0.0226(13) 0.0119(14) 0.0022(13) -0.0080(14)
O009 0.0351(17) 0.038(3) 0.0276(13) 0.0062(13) 0.0041(11) -0.0166(13)
O1 0.0403(17) 0.026(3) 0.0385(15) -0.0062(15) 0.0038(13) 0.0119(14)
O00B 0.0522(18) 0.024(3) 0.0317(14) -0.0124(14) 0.0018(13) 0.0125(14)
O00C 0.0214(15) 0.057(3) 0.0270(13) -0.0111(13) 0.0046(11) 0.0038(12)
O2 0.0272(15) 0.054(3) 0.0290(14) -0.0165(13) -0.0086(12) 0.0048(12)
N00E 0.0190(16) 0.024(3) 0.0153(13) 0.0032(14) 0.0012(12) -0.0001(12)
O00F 0.071(2) 0.025(3) 0.0382(16) 0.0079(17) -0.0066(15) -0.0215(16)
O00G 0.0291(16) 0.051(3) 0.0344(14) -0.0039(14) -0.0099(12) 0.0135(12)
N00H 0.0221(18) 0.014(3) 0.0180(14) 0.0028(13) 0.0033(12) -0.0026(12)
N00I 0.0186(17) 0.027(4) 0.0166(13) -0.0051(15) 0.0019(12) 0.0002(14)
O00J 0.050(2) 0.038(4) 0.0619(19) -0.0015(17) -0.0211(16) -0.0113(14)
N00K 0.0265(19) 0.030(3) 0.0141(14) 0.0016(17) -0.0014(13) -0.0086(15)
N00L 0.0220(18) 0.023(3) 0.0194(14) 0.0048(15) 0.0031(13) -0.0013(13)
N00M 0.0200(16) 0.018(3) 0.0160(14) -0.0008(15) 0.0033(12) -0.0012(13)
O00N 0.0207(17) 0.076(4) 0.0388(15) -0.0026(15) 0.0012(12) 0.0101(14)
N00O 0.0216(16) 0.019(3) 0.0189(13) -0.0010(13) 0.0004(11) 0.0010(12)
N00P 0.0248(18) 0.030(4) 0.0191(15) -0.0035(16) 0.0009(13) 0.0004(13)
N00Q 0.0237(17) 0.016(3) 0.0196(14) -0.0014(13) 0.0020(12) -0.0009(12)
N00R 0.0180(16) 0.023(3) 0.0182(14) 0.0007(13) -0.0018(12) 0.0025(12)
N00S 0.0197(17) 0.017(3) 0.0165(13) 0.0011(12) 0.0009(12) -0.0008(12)
N00T 0.0319(19) 0.019(3) 0.0222(15) -0.0032(14) 0.0051(14) -0.0003(14)
O00U 0.077(2) 0.048(4) 0.0317(15) -0.0003(15) 0.0272(15) -0.0206(17)
N00V 0.0228(18) 0.027(3) 0.0220(14) -0.0041(13) 0.0003(13) -0.0019(12)
N00W 0.0218(18) 0.026(3) 0.0195(14) 0.0030(14) 0.0014(13) 0.0021(13)
N00X 0.0220(18) 0.034(4) 0.0222(15) -0.0048(15) -0.0002(13) 0.0019(14)
C00Y 0.0167(19) 0.021(3) 0.0170(16) -0.0035(16) 0.0015(14) -0.0007(14)
C00Z 0.0152(18) 0.019(4) 0.0177(16) -0.0019(15) 0.0024(13) 0.0019(13)
C010 0.0186(19) 0.017(4) 0.0157(15) -0.0002(14) 0.0017(13) 0.0026(14)
C011 0.0166(18) 0.015(4) 0.0206(16) -0.0018(15) 0.0018(14) 0.0001(13)
C012 0.0186(19) 0.013(4) 0.0195(15) -0.0011(14) 0.0018(14) 0.0015(13)
C013 0.0188(18) 0.012(4) 0.0192(16) -0.0001(15) 0.0023(14) -0.0013(13)
C014 0.0185(19) 0.015(3) 0.0212(17) -0.0024(16) 0.0019(16) -0.0001(14)
C015 0.0187(19) 0.015(4) 0.0197(16) 0.0003(15) -0.0011(14) -0.0010(13)
C016 0.0173(19) 0.019(4) 0.0182(16) 0.0005(16) 0.0003(14) -0.0007(14)
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
C00Y N00E N00M 105.3(3) . . ?
N00S N00H C00Z 111.3(3) . . ?
N00S N00H H00H 123(2) . . ?
C00Z N00H H00H 125(2) . . ?
O003 N00I C013 115.0(4) . . ?
O1 N00I O003 126.1(4) . . ?
O1 N00I C013 118.9(3) . . ?
O00F N00K O00N 126.8(4) . . ?
O00F N00K C011 117.8(3) . . ?
O00N N00K C011 115.4(4) . . ?
O002 N00L C016 117.0(3) . . ?
O007 N00L O002 126.1(3) . . ?
O007 N00L C016 116.9(3) . . ?
N00E N00M C016 111.2(3) . . ?
N00E N00M H00M 126(3) . . ?
C016 N00M H00M 122(3) . . ?
C015 N00O N00R 104.0(3) . . ?
O00B N00P O00U 126.5(4) . . ?
O00B N00P C00Y 116.4(3) . . ?
O00U N00P C00Y 117.1(4) . . ?
O006 N00Q O009 126.4(3) . . ?
O006 N00Q C010 118.0(3) . . ?
O009 N00Q C010 115.6(3) . . ?
N00O N00R C012 111.4(3) . . ?
N00O N00R H00R 120(2) . . ?
C012 N00R H00R 128.4(19) . . ?
N00H N00S C010 104.8(3) . . ?
O004 N00T C014 117.9(3) . . ?
O00J N00T O004 124.7(4) . . ?
O00J N00T C014 117.4(3) . . ?
O00C N00V O2 127.7(3) . . ?
O00C N00V C012 116.0(3) . . ?
O2 N00V C012 116.2(3) . . ?
O001 N00W C00Z 115.6(3) . . ?
O008 N00W O001 126.3(3) . . ?
O008 N00W C00Z 118.1(3) . . ?
O005 N00X O00G 127.4(3) . . ?
O005 N00X C015 116.1(3) . . ?
O00G N00X C015 116.5(3) . . ?
N00E C00Y N00P 120.5(3) . . ?
N00E C00Y C014 112.9(3) . . ?
C014 C00Y N00P 126.5(4) . . ?
N00H C00Z N00W 121.6(3) . . ?
N00H C00Z C011 108.6(3) . . ?
C011 C00Z N00W 129.8(3) . . ?
N00S C010 N00Q 119.7(3) . . ?
N00S C010 C011 112.1(3) . . ?
C011 C010 N00Q 128.0(3) . . ?
C00Z C011 N00K 128.7(3) . . ?
C00Z C011 C010 103.3(3) . . ?
C010 C011 N00K 127.9(3) . . ?
N00R C012 N00V 121.9(3) . . ?
N00R C012 C013 108.3(3) . . ?
C013 C012 N00V 129.7(3) . . ?
C012 C013 N00I 128.6(3) . . ?
C012 C013 C015 103.1(3) . . ?
C015 C013 N00I 128.4(3) . . ?
C00Y C014 N00T 129.4(3) . . ?
C016 C014 N00T 128.6(3) . . ?
C016 C014 C00Y 101.9(4) . . ?
N00O C015 N00X 119.4(3) . . ?
N00O C015 C013 113.2(3) . . ?
C013 C015 N00X 127.4(3) . . ?
N00M C016 N00L 121.9(4) . . ?
N00M C016 C014 108.7(3) . . ?
C014 C016 N00L 129.4(4) . . ?
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 N00W 1.233(4) . ?
O002 N00L 1.219(4) . ?
O003 N00I 1.225(4) . ?
O004 N00T 1.225(4) . ?
O005 N00X 1.209(4) . ?
O006 N00Q 1.210(3) . ?
O007 N00L 1.215(4) . ?
O008 N00W 1.205(4) . ?
O009 N00Q 1.220(4) . ?
O1 N00I 1.198(4) . ?
O00B N00P 1.210(4) . ?
O00C N00V 1.215(3) . ?
O2 N00V 1.223(3) . ?
N00E N00M 1.328(4) . ?
N00E C00Y 1.312(5) . ?
O00F N00K 1.208(4) . ?
O00G N00X 1.219(4) . ?
N00H N00S 1.328(4) . ?
N00H C00Z 1.334(4) . ?
N00H H00H 0.85(4) . ?
N00I C013 1.440(4) . ?
O00J N00T 1.213(4) . ?
N00K O00N 1.213(4) . ?
N00K C011 1.447(4) . ?
N00L C016 1.426(4) . ?
N00M C016 1.329(6) . ?
N00M H00M 0.88(5) . ?
N00O N00R 1.333(4) . ?
N00O C015 1.325(4) . ?
N00P O00U 1.217(5) . ?
N00P C00Y 1.438(4) . ?
N00Q C010 1.426(4) . ?
N00R C012 1.335(4) . ?
N00R H00R 0.89(3) . ?
N00S C010 1.332(4) . ?
N00T C014 1.430(5) . ?
N00V C012 1.425(4) . ?
N00W C00Z 1.432(4) . ?
N00X C015 1.443(4) . ?
C00Y C014 1.391(5) . ?
C00Z C011 1.363(5) . ?
C010 C011 1.382(4) . ?
C012 C013 1.364(4) . ?
C013 C015 1.371(5) . ?
C014 C016 1.386(5) . ?
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 N00W C00Z N00H 169.5(4) . . . . ?
O001 N00W C00Z C011 -11.7(6) . . . . ?
O002 N00L C016 N00M 8.4(5) . . . . ?
O002 N00L C016 C014 -171.7(3) . . . . ?
O003 N00I C013 C012 118.2(4) . . . . ?
O003 N00I C013 C015 -62.6(5) . . . . ?
O004 N00T C014 C00Y -85.5(4) . . . . ?
O004 N00T C014 C016 88.9(4) . . . . ?
O005 N00X C015 N00O -25.7(6) . . . . ?
O005 N00X C015 C013 153.0(4) . . . . ?
O006 N00Q C010 N00S -11.5(5) . . . . ?
O006 N00Q C010 C011 162.7(4) . . . . ?
O007 N00L C016 N00M -170.5(3) . . . . ?
O007 N00L C016 C014 9.4(5) . . . . ?
O008 N00W C00Z N00H -10.0(6) . . . . ?
O008 N00W C00Z C011 168.8(4) . . . . ?
O009 N00Q C010 N00S 169.4(4) . . . . ?
O009 N00Q C010 C011 -16.4(5) . . . . ?
O1 N00I C013 C012 -62.8(5) . . . . ?
O1 N00I C013 C015 116.4(4) . . . . ?
O00B N00P C00Y N00E -176.2(3) . . . . ?
O00B N00P C00Y C014 5.1(5) . . . . ?
O00C N00V C012 N00R 173.9(3) . . . . ?
O00C N00V C012 C013 -1.1(6) . . . . ?
O2 N00V C012 N00R -6.1(5) . . . . ?
O2 N00V C012 C013 178.9(4) . . . . ?
N00E N00M C016 N00L 177.7(3) . . . . ?
N00E N00M C016 C014 -2.2(4) . . . . ?
N00E C00Y C014 N00T 175.6(3) . . . . ?
N00E C00Y C014 C016 0.1(4) . . . . ?
O00F N00K C011 C00Z 112.1(4) . . . . ?
O00F N00K C011 C010 -72.9(5) . . . . ?
O00G N00X C015 N00O 155.6(4) . . . . ?
O00G N00X C015 C013 -25.7(6) . . . . ?
N00H N00S C010 N00Q 174.2(3) . . . . ?
N00H N00S C010 C011 -0.9(4) . . . . ?
N00H C00Z C011 N00K 175.0(4) . . . . ?
N00H C00Z C011 C010 -0.8(4) . . . . ?
N00I C013 C015 N00O -178.6(4) . . . . ?
N00I C013 C015 N00X 2.7(7) . . . . ?
O00J N00T C014 C00Y 95.3(4) . . . . ?
O00J N00T C014 C016 -90.2(4) . . . . ?
N00M N00E C00Y N00P 179.8(3) . . . . ?
N00M N00E C00Y C014 -1.3(3) . . . . ?
O00N N00K C011 C00Z -69.1(5) . . . . ?
O00N N00K C011 C010 105.8(4) . . . . ?
N00O N00R C012 N00V -175.5(3) . . . . ?
N00O N00R C012 C013 0.5(4) . . . . ?
N00P C00Y C014 N00T -5.5(6) . . . . ?
N00P C00Y C014 C016 178.9(3) . . . . ?
N00Q C010 C011 N00K 10.6(6) . . . . ?
N00Q C010 C011 C00Z -173.5(4) . . . . ?
N00R N00O C015 N00X 178.4(3) . . . . ?
N00R N00O C015 C013 -0.5(4) . . . . ?
N00R C012 C013 N00I 178.6(4) . . . . ?
N00R C012 C013 C015 -0.7(4) . . . . ?
N00S N00H C00Z N00W 179.4(3) . . . . ?
N00S N00H C00Z C011 0.4(5) . . . . ?
N00S C010 C011 N00K -174.9(4) . . . . ?
N00S C010 C011 C00Z 1.1(4) . . . . ?
N00T C014 C016 N00L 5.7(6) . . . . ?
N00T C014 C016 N00M -174.4(3) . . . . ?
O00U N00P C00Y N00E 4.6(5) . . . . ?
O00U N00P C00Y C014 -174.2(3) . . . . ?
N00V C012 C013 N00I -5.9(7) . . . . ?
N00V C012 C013 C015 174.8(4) . . . . ?
N00W C00Z C011 N00K -3.9(7) . . . . ?
N00W C00Z C011 C010 -179.8(4) . . . . ?
C00Y N00E N00M C016 2.1(3) . . . . ?
C00Y C014 C016 N00L -178.7(3) . . . . ?
C00Y C014 C016 N00M 1.2(4) . . . . ?
C00Z N00H N00S C010 0.3(4) . . . . ?
C012 C013 C015 N00O 0.8(4) . . . . ?
C012 C013 C015 N00X -178.0(4) . . . . ?
C015 N00O N00R C012 0.0(4) . . . . ?