#------------------------------------------------------------------------------
#$Date: 2021-11-06 20:49:22 +0200 (Sat, 06 Nov 2021) $
#$Revision: 270365 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/89/7128938.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_7128938
loop_
_publ_author_name
'Thomas, Shibin'
'Greenacre, Victoria K.'
'Smith, Danielle E.'
'Noori, Yasir J.'
'Abdelazim, Nema M.'
'Hector, Andrew L.'
'de Groot, C. H. Kees'
'Levason, William'
'Bartlett, Philip N.'
'Reid, Gillian'
_publ_section_title
;
Tungsten disulfide thin films via electrodeposition from a single
source precursor.
;
_journal_issue 79
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first 10194
_journal_page_last 10197
_journal_paper_doi 10.1039/d1cc03297f
_journal_volume 57
_journal_year 2021
_chemical_formula_moiety 'S4 W, 2(C16 H36 N)'
_chemical_formula_sum 'C32 H72 N2 S4 W'
_chemical_formula_weight 797.00
_chemical_name_systematic (C16H72N2)WS4
_space_group_crystal_system orthorhombic
_space_group_IT_number 43
_space_group_name_Hall 'F 2 -2d'
_space_group_name_H-M_alt 'F d d 2'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary dual
_audit_creation_date 2021-05-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-05-17 deposited with the CCDC. 2021-09-02 downloaded from the CCDC.
;
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 16
_cell_length_a 35.5582(6)
_cell_length_b 28.7216(5)
_cell_length_c 15.5658(4)
_cell_measurement_reflns_used 13763
_cell_measurement_temperature 100.01(10)
_cell_measurement_theta_max 30.5820
_cell_measurement_theta_min 3.1800
_cell_volume 15897.2(6)
_computing_cell_refinement 'CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)'
_computing_data_collection 'CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)'
_computing_data_reduction 'CrysAlisPro 1.171.39.46b (Rigaku OD, 2018)'
_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_environment N~2~
_diffrn_ambient_temperature 100.01(10)
_diffrn_detector 'CCD plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):
# Type Start End Width t~exp~ \w \q \k \f Frames
#--------------------------------------------------------------------------
1 \w -49.00 74.00 1.00 1.00 -- -15.80 60.00 150.00 123
2 \w -105.00 -24.00 1.00 1.00 -- -15.80 -57.00-150.00 81
;
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11 0.0037576000
_diffrn_orient_matrix_UB_12 -0.0013090000
_diffrn_orient_matrix_UB_13 -0.0446808000
_diffrn_orient_matrix_UB_21 -0.0009743000
_diffrn_orient_matrix_UB_22 -0.0246439000
_diffrn_orient_matrix_UB_23 0.0020333000
_diffrn_orient_matrix_UB_31 -0.0195697000
_diffrn_orient_matrix_UB_32 0.0009762000
_diffrn_orient_matrix_UB_33 -0.0086482000
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0401
_diffrn_reflns_av_unetI/netI 0.0608
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_limit_h_max 48
_diffrn_reflns_limit_h_min -50
_diffrn_reflns_limit_k_max 28
_diffrn_reflns_limit_k_min -41
_diffrn_reflns_limit_l_max 20
_diffrn_reflns_limit_l_min -20
_diffrn_reflns_number 23617
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.865
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 31.001
_diffrn_reflns_theta_min 2.977
_diffrn_source 'Rotating-anode X-ray tube'
_diffrn_source_type 'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu 3.138
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.13205
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46b (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour 'dark yellow'
_exptl_crystal_colour_modifier dark
_exptl_crystal_colour_primary yellow
_exptl_crystal_density_diffrn 1.332
_exptl_crystal_description block
_exptl_crystal_F_000 6656
_exptl_crystal_preparation 'Slow evporation from water'
_exptl_crystal_recrystallization_method 'Slow evaporation from water'
_exptl_crystal_size_max 0.5
_exptl_crystal_size_mid 0.5
_exptl_crystal_size_min 0.4
_refine_diff_density_max 2.810
_refine_diff_density_min -2.964
_refine_diff_density_rms 0.156
_refine_ls_abs_structure_details
;
Flack x determined using 4164 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.005(10)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.054
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 354
_refine_ls_number_reflns 10952
_refine_ls_number_restraints 1
_refine_ls_restrained_S_all 1.054
_refine_ls_R_factor_all 0.0623
_refine_ls_R_factor_gt 0.0572
_refine_ls_shift/su_max 0.002
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0978P)^2^+3.1336P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1408
_refine_ls_wR_factor_ref 0.1446
_reflns_Friedel_coverage 0.848
_reflns_Friedel_fraction_full 0.993
_reflns_Friedel_fraction_max 0.821
_reflns_number_gt 10148
_reflns_number_total 10952
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file d1cc03297f2.cif
_cod_data_source_block tba2ws4
_cod_depositor_comments 'Adding full bibliography for 7128938.cif.'
_cod_database_code 7128938
_shelx_shelxl_version_number 2018/3
_chemical_oxdiff_formula C32H72N2WS4
_chemical_oxdiff_usercomment 'Yellow Block'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max 0.367
_shelx_estimated_absorpt_t_min 0.303
_reflns_odcompleteness_completeness 99.55
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta 28.64
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C16) = Uanis(C20)
3.a Secondary CH2 refined with riding coordinates:
C25(H25A,H25B), C23(H23A,H23B), C2(H2A,H2B), C29(H29A,H29B), C26(H26A,H26B),
C17(H17A,H17B), C3(H3A,H3B), C9(H9A,H9B), C1(H1A,H1B), C18(H18A,H18B),
C13(H13A,H13B), C21(H21A,H21B), C10(H10A,H10B), C19(H19A,H19B), C22(H22A,H22B),
C6(H6A,H6B), C31(H31A,H31B), C11(H11A,H11B), C5(H5A,H5B), C7(H7A,H7B),
C14(H14A,H14B), C30(H30A,H30B), C15(H15A,H15B), C27(H27A,H27B)
3.b Idealised Me refined as rotating group:
C12(H12A,H12B,H12C), C20(H20A,H20B,H20C), C32(H32A,H32B,H32C), C24(H24A,H24B,
H24C), C28(H28A,H28B,H28C), C8(H8A,H8B,H8C), C4(H4A,H4B,H4C), C16(H16A,H16B,
H16C)
;
_shelx_res_file
;
TITL tba2ws4_a.res in Fdd2
tba2ws4.res
created by SHELXL-2018/3 at 14:47:47 on 17-May-2021
REM Old TITL TBA2 WS4 in Fdd2
REM SHELXT solution in Fdd2: R1 0.067, Rweak 0.030, Alpha 0.021
REM 1.076 for 160 systematic absences, Orientation as input
REM Flack x = 0.051 ( 0.014 ) from 3542 Parsons' quotients
REM Formula found by SHELXT: C33 N19 S4 W
CELL 0.71073 35.5582 28.7216 15.5658 90 90 90
ZERR 16 0.0006 0.0005 0.0004 0 0 0
LATT -4
SYMM -X,-Y,+Z
SYMM 0.25+X,0.25-Y,0.25+Z
SYMM 0.25-X,0.25+Y,0.25+Z
SFAC C H N S W
UNIT 512 1152 32 64 16
EADP C16 C20
L.S. 10
PLAN 23
SIZE 0.5 0.5 0.4
TEMP -173.14(10)
CONF
BOND
LIST 6
MORE -1
BOND $H
fmap 2 53
acta
REM
REM
REM
WGHT 0.097800 3.133600
FVAR 0.05533
W1 5 0.706419 0.403603 0.651550 11.00000 0.01746 0.01706 =
0.01326 -0.00193 0.00022 -0.00240
S1 4 0.702603 0.478325 0.681585 11.00000 0.02751 0.01935 =
0.01762 -0.00186 -0.00097 0.00586
S2 4 0.732091 0.393667 0.524916 11.00000 0.02097 0.01985 =
0.01770 -0.00146 0.00262 0.00205
S4 4 0.741168 0.368082 0.747750 11.00000 0.04772 0.01979 =
0.01966 0.00345 -0.00902 0.00236
S3 4 0.650541 0.372258 0.648750 11.00000 0.02605 0.05321 =
0.03829 -0.02483 0.01169 -0.01700
N1 3 0.705384 0.532811 0.414148 11.00000 0.02372 0.01537 =
0.00857 -0.00079 0.00128 -0.00012
C25 1 0.740178 0.510553 0.455120 11.00000 0.01960 0.01913 =
0.01602 -0.00464 0.00229 0.00342
AFIX 23
H25A 2 0.737547 0.512258 0.518358 11.00000 -1.20000
H25B 2 0.740809 0.477208 0.439079 11.00000 -1.20000
AFIX 0
C23 1 0.601334 0.503141 0.464397 11.00000 0.02454 0.02947 =
0.02332 0.00547 0.00358 -0.00112
AFIX 23
H23A 2 0.602488 0.509929 0.526696 11.00000 -1.20000
H23B 2 0.603747 0.469047 0.456835 11.00000 -1.20000
AFIX 0
N2 3 0.673950 0.219582 0.552756 11.00000 0.01491 0.01967 =
0.02087 0.00359 -0.00354 0.00143
C2 1 0.672039 0.137560 0.617444 11.00000 0.02979 0.02256 =
0.04404 0.00946 0.00218 0.00259
AFIX 23
H2A 2 0.684762 0.149298 0.669705 11.00000 -1.20000
H2B 2 0.691380 0.124857 0.578153 11.00000 -1.20000
AFIX 0
C29 1 0.705605 0.584938 0.425730 11.00000 0.02343 0.01362 =
0.01845 -0.00138 0.00412 0.00042
AFIX 23
H29A 2 0.683322 0.598036 0.396239 11.00000 -1.20000
H29B 2 0.728231 0.597688 0.397092 11.00000 -1.20000
AFIX 0
C26 1 0.777331 0.532426 0.430171 11.00000 0.01918 0.02381 =
0.02351 -0.00177 -0.00203 -0.00103
AFIX 23
H26A 2 0.779814 0.563229 0.458145 11.00000 -1.20000
H26B 2 0.778141 0.537113 0.367188 11.00000 -1.20000
AFIX 0
C17 1 0.705364 0.523917 0.317277 11.00000 0.02286 0.02046 =
0.00997 0.00290 -0.00031 -0.00069
AFIX 23
H17A 2 0.684074 0.541235 0.291616 11.00000 -1.20000
H17B 2 0.728818 0.536973 0.292900 11.00000 -1.20000
AFIX 0
C3 1 0.643608 0.099235 0.641554 11.00000 0.04271 0.02405 =
0.03447 0.00795 0.01345 -0.00090
AFIX 23
H3A 2 0.627694 0.092410 0.590909 11.00000 -1.20000
H3B 2 0.657576 0.070479 0.656104 11.00000 -1.20000
AFIX 0
C9 1 0.646657 0.254381 0.513952 11.00000 0.01659 0.02133 =
0.01936 0.00328 -0.00246 0.00189
AFIX 23
H9A 2 0.630707 0.266751 0.560820 11.00000 -1.20000
H9B 2 0.629934 0.237369 0.473946 11.00000 -1.20000
AFIX 0
C1 1 0.650746 0.176841 0.573707 11.00000 0.01651 0.01788 =
0.02488 0.00223 0.00300 0.00012
AFIX 23
H1A 2 0.639753 0.164748 0.519702 11.00000 -1.20000
H1B 2 0.629663 0.186342 0.611368 11.00000 -1.20000
AFIX 0
C12 1 0.645351 0.367676 0.382556 11.00000 0.03848 0.02353 =
0.03578 0.00982 -0.01311 -0.00281
AFIX 137
H12A 2 0.660865 0.356556 0.334736 11.00000 -1.50000
H12B 2 0.660502 0.387701 0.419981 11.00000 -1.50000
H12C 2 0.624003 0.385450 0.359971 11.00000 -1.50000
AFIX 0
C18 1 0.702380 0.473475 0.290016 11.00000 0.05731 0.01897 =
0.01257 -0.00334 0.00154 0.00539
AFIX 23
H18A 2 0.681119 0.458458 0.320322 11.00000 -1.20000
H18B 2 0.725739 0.456741 0.305646 11.00000 -1.20000
AFIX 0
C13 1 0.693303 0.239763 0.632742 11.00000 0.02553 0.02769 =
0.02153 0.00233 -0.00866 -0.00393
AFIX 23
H13A 2 0.714935 0.219553 0.647317 11.00000 -1.20000
H13B 2 0.703470 0.270808 0.617764 11.00000 -1.20000
AFIX 0
C21 1 0.671373 0.510734 0.456590 11.00000 0.02145 0.02093 =
0.01848 0.00107 0.00036 -0.00236
AFIX 23
H21A 2 0.671995 0.517901 0.518785 11.00000 -1.20000
H21B 2 0.673128 0.476508 0.450220 11.00000 -1.20000
AFIX 0
C10 1 0.663433 0.295472 0.465857 11.00000 0.02265 0.01653 =
0.02118 0.00054 0.00003 0.00077
AFIX 23
H10A 2 0.678562 0.284321 0.416589 11.00000 -1.20000
H10B 2 0.680031 0.313602 0.504438 11.00000 -1.20000
AFIX 0
C19 1 0.696251 0.470587 0.193927 11.00000 0.03275 0.02668 =
0.01009 -0.00417 -0.00213 -0.00484
AFIX 23
H19A 2 0.717891 0.485161 0.164292 11.00000 -1.20000
H19B 2 0.673437 0.488549 0.178742 11.00000 -1.20000
AFIX 0
C22 1 0.633641 0.527024 0.419852 11.00000 0.02254 0.03383 =
0.02529 0.01134 0.00334 -0.00375
AFIX 23
H22A 2 0.631293 0.561139 0.427193 11.00000 -1.20000
H22B 2 0.632711 0.520071 0.357594 11.00000 -1.20000
AFIX 0
C6 1 0.693377 0.182807 0.410407 11.00000 0.02695 0.02199 =
0.02876 0.00183 0.00364 0.00459
AFIX 23
H6A 2 0.672368 0.199973 0.383228 11.00000 -1.20000
H6B 2 0.684506 0.151000 0.424190 11.00000 -1.20000
AFIX 0
C20 1 0.691754 0.420567 0.161676 11.00000 0.06861 0.04813 =
0.02496 -0.00257 -0.00953 0.01583
AFIX 137
H20A 2 0.691180 0.420451 0.098732 11.00000 -1.50000
H20B 2 0.668224 0.407492 0.183869 11.00000 -1.50000
H20C 2 0.712979 0.401722 0.181774 11.00000 -1.50000
AFIX 0
C32 1 0.746380 0.673121 0.496424 11.00000 0.05336 0.02800 =
0.04412 -0.00995 0.00313 -0.00924
AFIX 137
H32A 2 0.750833 0.666685 0.435438 11.00000 -1.50000
H32B 2 0.765741 0.657684 0.531012 11.00000 -1.50000
H32C 2 0.747407 0.706788 0.506383 11.00000 -1.50000
AFIX 0
C31 1 0.708197 0.654992 0.521691 11.00000 0.04690 0.02189 =
0.03521 -0.00740 0.00032 0.00886
AFIX 23
H31A 2 0.689060 0.668497 0.482791 11.00000 -1.20000
H31B 2 0.702395 0.665556 0.580763 11.00000 -1.20000
AFIX 0
C11 1 0.630858 0.326177 0.433855 11.00000 0.02868 0.02252 =
0.01545 0.00121 -0.00277 -0.00306
AFIX 23
H11A 2 0.613900 0.307353 0.397278 11.00000 -1.20000
H11B 2 0.616177 0.337507 0.483688 11.00000 -1.20000
AFIX 0
C5 1 0.705180 0.207332 0.491985 11.00000 0.01398 0.02622 =
0.03382 0.00766 0.00057 -0.00100
AFIX 23
H5A 2 0.723341 0.187205 0.522721 11.00000 -1.20000
H5B 2 0.718520 0.236333 0.476077 11.00000 -1.20000
AFIX 0
C24 1 0.563468 0.518979 0.429279 11.00000 0.02368 0.03894 =
0.05883 0.00897 0.00547 -0.00384
AFIX 137
H24A 2 0.561394 0.510012 0.368718 11.00000 -1.50000
H24B 2 0.561430 0.552894 0.434363 11.00000 -1.50000
H24C 2 0.543209 0.504224 0.462154 11.00000 -1.50000
AFIX 0
C7 1 0.726715 0.180092 0.347806 11.00000 0.02707 0.03794 =
0.03482 0.01250 0.00936 0.00994
AFIX 23
H7A 2 0.733597 0.211988 0.329522 11.00000 -1.20000
H7B 2 0.748634 0.166543 0.378020 11.00000 -1.20000
AFIX 0
C14 1 0.669161 0.244869 0.711769 11.00000 0.03175 0.04119 =
0.02335 -0.00497 -0.01046 0.00630
AFIX 23
H14A 2 0.653621 0.216555 0.719202 11.00000 -1.20000
H14B 2 0.652014 0.271738 0.704500 11.00000 -1.20000
AFIX 0
C28 1 0.812735 0.456094 0.406376 11.00000 0.02556 0.02753 =
0.03101 -0.00142 0.00823 0.00662
AFIX 137
H28A 2 0.810069 0.463027 0.345033 11.00000 -1.50000
H28B 2 0.792701 0.434758 0.424248 11.00000 -1.50000
H28C 2 0.837250 0.441555 0.416760 11.00000 -1.50000
AFIX 0
C30 1 0.705352 0.601352 0.518231 11.00000 0.03570 0.02324 =
0.02031 -0.00210 0.00504 0.00396
AFIX 23
H30A 2 0.726822 0.587393 0.549474 11.00000 -1.20000
H30B 2 0.681846 0.591104 0.546588 11.00000 -1.20000
AFIX 0
C8 1 0.718243 0.151228 0.269428 11.00000 0.04999 0.04018 =
0.03399 0.00490 0.01539 0.02300
AFIX 137
H8A 2 0.738924 0.154174 0.228170 11.00000 -1.50000
H8B 2 0.694861 0.162205 0.242957 11.00000 -1.50000
H8C 2 0.715427 0.118516 0.286135 11.00000 -1.50000
AFIX 0
C15 1 0.693230 0.252143 0.790989 11.00000 0.04127 0.05150 =
0.03453 -0.00562 -0.00932 -0.02339
AFIX 23
H15A 2 0.713090 0.228003 0.792709 11.00000 -1.20000
H15B 2 0.705698 0.282896 0.787270 11.00000 -1.20000
AFIX 0
C4 1 0.618336 0.112035 0.716659 11.00000 0.05870 0.03109 =
0.05490 0.00791 0.01430 -0.00682
AFIX 137
H4A 2 0.600585 0.136256 0.698714 11.00000 -1.50000
H4B 2 0.633744 0.123675 0.764238 11.00000 -1.50000
H4C 2 0.604384 0.084430 0.735458 11.00000 -1.50000
AFIX 0
C27 1 0.809917 0.501024 0.457743 11.00000 0.02256 0.03709 =
0.02344 -0.00376 -0.00294 0.00366
AFIX 23
H27A 2 0.833762 0.518499 0.451554 11.00000 -1.20000
H27B 2 0.806858 0.493172 0.519276 11.00000 -1.20000
AFIX 0
C16 1 0.670665 0.249848 0.872200 11.00000 0.06861 0.04813 =
0.02496 -0.00257 -0.00953 0.01583
AFIX 137
H16A 2 0.649624 0.271802 0.868683 11.00000 -1.50000
H16B 2 0.686703 0.258033 0.921122 11.00000 -1.50000
H16C 2 0.660914 0.218209 0.879897 11.00000 -1.50000
AFIX 0
HKLF 4
REM tba2ws4_a.res in Fdd2
REM wR2 = 0.1446, GooF = S = 1.054, Restrained GooF = 1.054 for all data
REM R1 = 0.0572 for 10148 Fo > 4sig(Fo) and 0.0623 for all 10952 data
REM 354 parameters refined using 1 restraints
END
WGHT 0.0978 3.1848
REM Highest difference peak 2.810, deepest hole -2.964, 1-sigma level 0.156
Q1 1 0.6974 0.4045 0.6510 11.00000 0.05 2.81
Q2 1 0.7088 0.4072 0.7078 11.00000 0.05 2.39
Q3 1 0.6990 0.4007 0.5976 11.00000 0.05 2.30
Q4 1 0.7099 0.4065 0.5939 11.00000 0.05 2.30
Q5 1 0.7134 0.4195 0.6523 11.00000 0.05 2.14
Q6 1 0.6972 0.4015 0.7047 11.00000 0.05 1.76
Q7 1 0.7015 0.4020 0.7618 11.00000 0.05 0.77
Q8 1 0.7050 0.4101 0.4907 11.00000 0.05 0.74
Q9 1 0.7945 0.5895 0.3100 11.00000 0.05 0.72
Q10 1 0.6992 0.4034 0.5388 11.00000 0.05 0.56
Q11 1 0.6819 0.2812 0.8597 11.00000 0.05 0.53
Q12 1 0.6508 0.3936 0.6118 11.00000 0.05 0.52
Q13 1 0.6604 0.3620 0.7182 11.00000 0.05 0.52
Q14 1 0.7369 0.3727 0.8033 11.00000 0.05 0.50
Q15 1 0.7478 0.3743 0.5257 11.00000 0.05 0.50
Q16 1 0.7098 0.4749 0.7395 11.00000 0.05 0.48
Q17 1 0.6286 0.3511 0.6513 11.00000 0.05 0.47
Q18 1 0.7431 0.4027 0.5284 11.00000 0.05 0.45
Q19 1 0.7202 0.1606 0.4006 11.00000 0.05 0.45
Q20 1 0.7088 0.4065 0.3941 11.00000 0.05 0.45
Q21 1 0.7300 0.3509 0.8069 11.00000 0.05 0.45
Q22 1 0.7553 0.4000 0.7626 11.00000 0.05 0.44
Q23 1 0.7125 0.4988 0.6813 11.00000 0.05 0.43
;
_shelx_res_checksum 41395
_shelx_hkl_file
;
0 0 -12 732.80 46.03
0 0 -10 5.96 9.02
0 0 -8 4511.37 129.52
0 0 -6 -5.64 5.19
0 0 -4 7713.65 178.54
0 0 4 9999.00 220.55
0 0 6 5.87 3.74
0 0 8 4758.58 132.93
0 0 8 6169.92 142.88
0 0 10 5.20 5.06
0 0 12 1390.71 67.92
0 0 14 -2.48 6.71
0 0 16 1258.96 83.85
0 0 18 35.32 21.02
0 0 20 737.02 86.09
0 -2 -14 67.62 15.46
0 -2 -12 8.87 7.03
0 -2 -10 166.24 20.24
0 -2 -8 2.29 5.65
0 2 -6 778.18 35.62
0 -2 -6 728.79 33.02
0 -2 -4 2.47 2.47
0 2 -2 23.64 2.94
0 -2 -2 26.12 2.47
0 -2 2 63.59 5.26
0 -2 4 -0.79 2.59
0 2 4 0.53 1.58
0 -2 4 3.65 2.55
0 -2 6 819.96 34.92
0 2 6 790.83 29.02
0 -2 8 -0.88 3.81
0 2 8 6.63 4.65
0 -2 8 -2.80 5.37
0 -2 10 250.61 23.84
0 2 10 180.05 19.16
0 -2 12 -0.52 5.48
0 2 12 1.15 5.78
0 2 14 201.63 27.61
0 -2 14 148.48 24.66
0 -2 16 11.39 12.95
0 2 16 -3.96 9.90
0 -2 18 57.24 26.83
0 2 18 53.53 20.67
0 -2 20 47.53 30.59
0 2 20 1.89 17.17
0 -4 -16 557.41 45.41
0 -4 -14 8.83 7.94
0 -4 -12 1049.11 57.68
0 -4 -10 3.72 5.62
0 -4 -8 3998.97 112.71
0 -4 -6 7.23 4.46
0 -4 -4 1092.23 32.48
0 4 -4 1171.11 35.29
0 -4 -2 1.20 1.01
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0 4 2 0.66 0.67
0 4 4 875.25 24.94
0 -4 4 824.27 32.01
0 4 6 3.31 2.43
0 -4 6 -0.75 4.90
0 -4 6 3.33 3.82
0 -4 8 4368.32 125.25
0 4 8 4558.58 110.19
0 -4 8 4370.01 123.08
0 -4 10 -1.62 4.45
0 4 12 1656.36 72.45
0 -4 12 1828.06 83.42
0 4 14 5.51 6.84
0 -4 14 23.22 15.59
0 4 16 1089.88 74.60
0 -4 16 1139.85 83.93
0 -4 18 48.12 27.34
0 4 18 21.92 16.64
0 -4 20 427.95 67.56
0 4 20 435.22 64.71
0 -6 -16 -9.74 7.13
0 -6 -14 1043.69 61.44
0 -6 -12 15.65 10.16
0 -6 -10 1026.85 49.21
0 -6 -8 6.71 3.28
0 6 -6 1741.40 51.78
0 -6 -6 1643.32 49.91
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0 -6 2 6859.69 155.14
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0 -6 4 2.25 1.98
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0 -6 6 2379.08 76.20
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0 -6 8 11.43 7.60
0 6 8 -4.76 2.29
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0 -6 12 15.12 11.13
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0 6 14 1709.55 81.42
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0 -6 16 21.55 18.55
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0 6 18 1003.77 81.01
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0 -8 -18 4.11 9.07
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0 -8 -8 250.81 18.14
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0 -8 -4 254.41 11.28
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0 -8 0 4289.67 91.84
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1 5 -5 209.35 13.73
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9 -23 -7 386.65 20.74
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-9 -23 -5 232.39 14.90
9 -23 -5 223.04 14.07
-9 -23 -3 323.13 18.90
-9 -23 -3 311.51 14.64
-9 23 -3 296.18 17.14
9 -23 -3 306.85 16.05
-9 -23 -1 323.15 19.33
-9 23 -1 323.07 17.32
-9 -23 -1 355.79 13.91
-9 23 1 351.65 16.58
-9 -23 1 355.17 20.66
-9 -23 3 317.12 20.96
9 -23 3 300.33 13.29
-9 23 3 282.37 14.42
-9 -23 5 193.04 17.91
9 -23 5 224.47 13.57
-9 23 5 227.95 13.05
9 -23 7 377.56 22.19
-9 23 7 337.41 17.93
-9 -23 7 346.18 27.15
9 -23 9 299.57 23.37
-9 -23 9 259.75 26.57
-9 -23 11 269.61 29.39
9 -23 11 250.23 25.06
9 -23 13 95.84 18.17
-9 23 13 90.58 15.70
-9 -23 13 86.77 19.65
-9 23 15 121.28 20.18
-9 -23 15 129.88 26.11
9 -23 15 182.14 28.22
-9 23 17 69.82 18.46
9 -23 17 110.82 25.59
-9 -25 -17 61.53 22.19
-9 -25 -15 105.78 25.31
9 -25 -15 85.25 16.31
-9 -25 -13 167.91 26.73
9 -25 -13 123.47 17.61
9 -25 -11 54.81 10.02
-9 -25 -11 39.34 13.16
9 -25 -9 142.89 13.97
-9 -25 -9 148.02 18.45
9 -25 -7 246.44 16.73
-9 -25 -7 229.80 18.64
9 -25 -5 162.91 12.33
-9 25 -5 128.76 11.58
-9 -25 -5 141.22 11.84
9 -25 -3 158.87 11.40
-9 25 -3 125.39 11.49
-9 -25 -3 152.34 10.29
-9 -25 -3 147.22 12.95
-9 -25 -1 387.44 15.42
-9 25 -1 324.84 18.49
-9 -25 -1 378.69 21.53
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-9 25 3 114.49 9.34
9 -25 3 128.43 8.69
-9 -25 5 182.97 17.55
9 -25 5 204.78 12.88
-9 25 5 164.09 11.81
9 -25 7 271.74 18.12
-9 -25 7 220.15 21.66
9 -25 9 127.06 15.26
-9 -25 9 140.28 19.38
9 -25 11 70.49 13.71
-9 -25 11 81.42 16.08
9 -25 13 125.16 19.99
-9 -25 13 153.07 24.89
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9 -27 -15 52.95 13.48
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9 -27 -13 107.41 16.34
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9 -27 -11 90.72 13.25
9 -27 -9 62.19 9.83
-9 -27 -9 57.16 12.11
9 -27 -7 132.09 12.55
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-9 -27 -5 193.11 14.38
9 -27 -5 191.74 14.24
9 -27 -3 229.79 14.56
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-9 -27 -1 197.10 15.61
9 -27 -1 199.17 13.08
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9 -27 3 267.44 13.61
9 -27 5 247.56 14.63
-9 -27 5 252.79 20.92
9 -27 7 122.24 12.39
-9 -27 7 125.87 16.21
-9 -27 9 75.00 14.29
9 -27 9 63.40 11.55
-9 -27 11 118.49 20.30
-9 -27 13 120.18 22.12
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9 -29 -13 109.68 16.95
-9 -29 -13 74.65 18.66
9 -29 -11 107.35 14.65
-9 -29 -11 103.62 19.16
9 -29 -9 54.11 9.70
-9 -29 -9 41.27 10.39
9 -29 -7 175.47 15.12
-9 -29 -7 180.10 17.06
9 -29 -5 227.98 16.03
-9 -29 -5 201.25 15.60
-9 -29 -3 255.52 15.02
9 -29 -3 259.95 16.31
-9 -29 -3 278.27 19.16
9 -29 -1 207.71 13.98
-9 -29 -1 213.92 12.03
-9 -29 -1 193.02 16.10
-9 -29 1 188.89 10.68
-9 -29 1 168.15 15.72
9 -29 3 252.71 13.78
-9 -29 3 218.66 18.80
-9 -29 5 267.94 21.88
-9 -29 7 203.66 20.94
-9 -29 9 52.53 12.12
-9 -29 11 60.32 14.21
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9 -31 -11 54.15 11.44
-9 -31 -9 81.80 14.44
9 -31 -9 67.25 11.37
9 -31 -7 42.87 8.18
-9 -31 -7 46.54 9.44
9 -31 -5 98.47 10.92
-9 -31 -5 89.81 11.03
9 -31 -3 37.23 6.76
-9 -31 -3 41.65 6.73
-9 -31 -1 139.33 10.30
9 -31 -1 158.89 12.42
-9 -31 -1 145.70 14.31
-9 -31 1 126.49 9.22
-9 -31 1 128.30 13.89
-9 -31 3 46.62 9.00
-9 -31 5 91.30 13.22
-9 -31 7 29.90 9.39
-9 -31 9 54.87 12.11
-9 -31 11 82.48 17.18
-9 -31 13 86.96 19.05
9 -33 -11 102.34 15.54
9 -33 -9 78.47 12.61
9 -33 -7 43.68 9.06
9 -33 -5 126.42 12.72
9 -33 -3 166.24 14.01
9 -33 -1 39.58 6.71
-9 -33 -1 30.45 7.48
-9 -33 1 34.95 8.18
-9 -33 3 126.63 14.89
-9 -33 5 125.02 16.00
-9 -33 7 38.96 10.15
-9 -33 9 68.96 13.99
-9 -33 11 59.56 14.12
-9 -33 13 124.62 22.25
9 -35 -9 64.53 12.15
9 -35 -7 160.56 16.50
9 -35 -5 36.78 7.67
9 -35 -3 65.09 8.96
-9 -35 -1 87.15 11.88
9 -35 -1 76.60 9.54
9 -35 1 88.69 9.97
-9 -35 1 97.67 12.81
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-9 -35 5 36.29 10.06
-9 -35 7 173.56 20.25
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-9 -35 11 48.01 14.52
9 -37 -7 16.96 6.43
9 -37 -5 137.76 14.67
9 -37 -3 64.54 9.73
-9 -37 -1 26.07 7.35
9 -37 -1 26.38 6.61
-9 -37 1 34.21 8.45
9 -37 1 33.52 6.93
-9 -37 3 85.05 13.55
-9 -37 5 119.00 17.03
-9 -37 7 36.56 11.48
9 -39 -5 49.67 9.85
9 -39 -3 72.04 10.78
9 -39 -1 137.09 14.01
9 -39 1 156.61 14.60
10 0 -16 38.30 14.80
10 0 -14 334.49 33.13
10 0 -12 1.01 5.12
10 0 -10 274.12 23.37
10 0 -8 -0.11 2.87
10 0 -6 2549.77 68.37
10 0 -6 2580.67 73.73
10 0 -4 1.35 1.49
10 0 -4 2.61 3.49
10 0 -2 2321.60 51.59
-10 0 -2 2311.38 53.25
10 0 -2 2359.00 60.47
-10 0 0 1.31 1.24
10 0 0 1.01 0.98
10 0 2 2689.49 60.83
-10 0 2 2593.31 66.45
-10 0 4 0.79 0.81
-10 0 4 -0.56 3.48
10 0 6 2978.42 90.60
-10 0 6 3053.48 94.89
-10 0 6 3123.92 73.76
10 0 8 7.70 6.92
-10 0 8 0.83 1.98
-10 0 8 6.97 5.82
-10 0 10 556.42 41.90
-10 0 12 5.82 10.77
-10 0 14 418.50 46.30
10 0 16 23.26 12.55
-10 0 16 -14.14 13.83
10 0 18 392.42 46.46
-10 0 18 480.53 63.12
10 0 20 17.74 17.53
-10 0 20 4.56 20.58
10 -2 -18 71.97 20.51
10 -2 -16 25.79 10.88
10 2 -16 41.51 12.83
10 -2 -14 88.40 18.38
10 2 -14 80.05 15.45
10 -2 -12 109.90 16.68
10 2 -12 98.13 16.38
10 -2 -10 338.34 24.52
10 2 -10 307.44 26.31
10 -2 -8 157.47 14.15
10 2 -8 175.47 15.58
10 2 -8 197.10 17.67
10 -2 -6 84.59 8.78
10 2 -6 110.94 11.76
10 -2 -6 92.08 8.41
10 2 -6 81.57 9.17
10 -2 -4 494.34 16.77
10 -2 -4 505.48 22.19
10 2 -4 503.18 24.25
10 2 -4 473.78 18.16
10 2 -2 534.53 20.95
10 2 -2 501.77 14.15
10 -2 -2 517.04 14.54
10 -2 -2 525.80 20.29
-10 -2 -2 493.70 16.22
10 -2 0 2453.07 56.27
10 2 0 2473.21 59.02
-10 -2 0 2480.89 58.18
-10 2 0 2452.34 55.04
-10 -2 2 410.99 18.11
-10 2 2 448.43 17.51
10 2 2 442.12 15.12
10 -2 2 413.70 13.06
-10 -2 2 423.38 11.58
10 2 4 587.43 26.66
10 2 4 588.16 20.14
-10 -2 4 649.65 18.80
-10 2 4 605.96 18.37
-10 -2 4 635.97 29.29
-10 2 4 637.30 28.84
-10 2 6 101.59 7.12
10 2 6 93.88 12.58
-10 -2 6 97.55 7.69
-10 -2 6 107.21 13.81
-10 2 6 100.11 12.11
10 -2 8 369.46 28.82
10 2 8 306.96 23.63
-10 2 8 292.30 26.32
-10 -2 8 359.72 29.70
-10 2 8 297.40 15.23
-10 -2 8 298.60 16.43
-10 -2 10 303.53 31.34
-10 2 10 326.82 31.36
-10 -2 12 191.71 28.18
-10 2 12 190.56 27.78
10 -2 14 211.88 25.82
-10 2 14 212.06 32.80
-10 -2 14 232.16 33.80
10 -2 16 45.81 15.63
-10 -2 16 52.64 19.17
-10 2 16 81.70 23.67
-10 2 18 84.01 27.91
10 2 18 72.31 20.94
10 -2 18 90.84 24.33
-10 -2 18 142.29 37.25
-10 2 20 34.94 31.90
10 2 20 27.70 19.88
10 -2 20 56.20 24.05
-10 -2 20 62.61 30.19
10 -4 -20 23.54 13.32
10 -4 -18 229.94 30.77
10 -4 -16 83.30 18.02
10 -4 -14 511.82 40.09
10 4 -12 24.84 8.83
10 -4 -12 13.87 7.59
10 4 -10 463.14 33.38
10 -4 -10 510.42 29.37
10 4 -8 153.80 14.96
10 -4 -8 135.46 12.28
10 4 -8 162.48 17.67
10 -4 -6 401.88 17.68
10 4 -6 382.61 23.03
10 -4 -4 23.06 3.71
10 -4 -4 28.22 3.47
10 4 -4 29.44 5.92
10 4 -4 24.55 4.64
-10 -4 -2 669.93 20.70
10 -4 -2 645.85 18.15
10 -4 -2 679.05 22.69
10 4 -2 676.47 19.02
10 4 -2 639.07 24.88
-10 4 0 358.38 10.13
10 4 0 394.51 15.38
10 -4 0 383.28 11.69
-10 4 2 436.87 17.25
-10 -4 2 489.66 19.99
10 4 2 430.94 16.02
10 -4 2 449.58 12.85
-10 -4 2 457.46 11.86
10 4 2 431.83 17.33
10 4 4 38.43 6.39
-10 4 4 33.52 3.35
-10 4 4 22.24 2.61
10 4 4 35.84 4.48
-10 -4 4 37.67 3.89
-10 -4 4 37.77 7.08
-10 4 6 516.45 30.20
-10 -4 6 499.38 20.50
-10 -4 6 455.99 30.11
10 4 6 521.33 26.99
-10 4 6 524.39 18.34
10 -4 8 180.58 22.63
-10 4 8 157.58 18.26
-10 4 8 149.36 10.21
-10 -4 8 172.67 12.81
10 4 8 162.24 15.72
-10 -4 8 161.13 19.92
-10 -4 10 502.50 40.82
-10 4 10 586.62 41.33
10 -4 12 34.77 9.49
-10 -4 12 56.90 15.08
-10 4 12 31.20 12.19
-10 -4 14 911.33 68.63
10 -4 14 803.78 54.73
-10 4 14 863.66 65.42
10 -4 16 135.41 26.02
-10 -4 16 199.00 35.89
-10 4 16 132.30 28.40
10 4 18 534.66 51.58
10 -4 18 635.65 62.65
-10 4 18 583.86 68.00
-10 -4 18 716.78 76.02
10 4 20 12.58 14.24
10 -4 20 27.26 17.72
-10 -4 20 42.11 28.78
-10 4 20 8.61 20.23
10 -6 -20 213.02 33.31
10 -6 -18 65.98 18.81
10 -6 -16 314.13 33.77
10 -6 -14 33.43 12.88
10 -6 -12 914.07 45.99
10 6 -10 58.14 10.99
10 -6 -10 44.26 8.29
10 6 -8 1028.58 46.92
10 6 -8 1091.00 45.34
10 -6 -8 988.94 36.62
10 6 -6 193.07 17.21
10 6 -6 204.61 17.12
10 -6 -6 202.70 11.63
10 6 -4 1879.01 57.35
10 -6 -4 1974.01 48.43
-10 -6 -2 118.14 7.56
10 -6 -2 113.16 5.93
10 6 -2 111.96 9.53
10 6 0 1816.29 47.29
-10 -6 0 1690.09 45.71
-10 -6 2 97.52 4.29
10 6 2 103.76 7.25
-10 6 2 106.44 7.39
-10 -6 2 103.57 8.88
10 -6 2 105.73 4.36
10 6 2 111.11 5.65
-10 6 4 2162.69 50.04
-10 -6 4 2066.98 52.03
10 6 4 2081.49 54.69
10 6 4 2024.14 53.32
-10 6 4 1949.04 60.11
-10 -6 4 2032.90 63.75
-10 6 6 228.93 11.21
-10 6 6 232.98 18.62
-10 -6 6 189.79 19.16
10 6 6 241.11 13.33
10 6 6 238.91 15.36
-10 -6 6 239.04 14.41
-10 -6 8 1087.35 55.56
-10 6 8 1156.76 35.48
-10 6 8 1210.11 53.30
-10 -6 8 1203.90 41.83
10 6 8 1160.64 43.19
10 -6 10 75.65 12.03
-10 6 10 84.04 15.21
-10 -6 10 69.03 15.83
-10 6 12 1273.35 70.00
10 -6 12 1205.63 61.84
-10 -6 12 1361.15 76.71
10 -6 14 55.44 15.18
-10 6 14 66.02 18.87
-10 -6 14 88.82 24.61
10 -6 16 595.78 55.08
-10 6 16 609.72 60.57
-10 -6 16 589.38 62.62
-10 -6 18 53.58 26.03
10 -6 18 78.02 24.48
-10 6 18 47.97 24.29
10 6 20 487.43 56.02
-10 -6 20 556.78 76.30
10 -6 20 439.67 62.11
-10 6 20 485.92 71.56
10 -8 -18 16.11 12.27
10 -8 -16 194.31 25.78
10 -8 -14 9.01 6.24
10 -8 -12 87.99 13.55
-10 -8 -10 83.65 15.08
10 -8 -10 63.90 9.60
-10 -8 -8 440.33 31.71
10 -8 -8 450.05 21.58
-10 -8 -6 178.83 18.01
10 8 -6 139.91 14.25
10 -8 -6 142.00 9.70
10 -8 -4 140.09 7.92
10 8 -4 176.56 14.62
-10 -8 -4 170.68 14.47
-10 -8 -2 58.15 5.59
10 8 -2 60.93 6.96
-10 -8 -2 62.06 6.08
10 8 0 208.13 12.24
-10 -8 0 272.35 13.18
10 -8 2 56.63 4.10
-10 -8 2 53.57 6.74
-10 8 2 61.78 5.37
10 8 2 55.77 2.71
10 8 2 58.18 5.76
-10 -8 4 80.45 7.88
10 -8 4 57.50 6.08
-10 -8 4 60.40 9.08
-10 8 4 73.37 7.95
10 8 4 79.95 7.07
10 8 4 69.27 5.36
10 -8 6 158.96 13.06
-10 8 6 165.82 14.84
-10 -8 6 146.33 15.60
-10 8 6 167.05 9.40
10 8 6 152.41 10.52
10 8 6 158.94 11.11
-10 -8 6 167.78 12.79
10 8 8 513.92 24.05
10 -8 8 582.99 31.23
-10 8 8 577.02 33.34
-10 -8 8 561.60 37.78
-10 -8 8 540.49 27.11
-10 8 10 158.07 19.96
10 -8 10 108.83 15.71
-10 -8 10 157.35 21.83
10 -8 12 97.58 17.70
-10 8 12 123.10 19.99
-10 -8 12 133.81 23.82
10 -8 14 7.10 8.22
-10 8 14 0.78 7.45
-10 -8 14 11.66 13.18
10 -8 16 262.35 37.60
-10 8 16 279.70 39.93
-10 -8 16 344.59 46.55
-10 8 18 21.71 19.04
-10 -8 18 36.52 20.94
10 -8 18 16.48 18.01
10 -8 20 65.08 28.17
-10 8 20 71.90 32.46
10 -10 -18 15.69 11.41
10 -10 -16 300.35 32.59
10 -10 -14 46.74 12.13
-10 -10 -12 844.86 53.55
10 -10 -12 848.91 42.71
-10 -10 -10 11.40 8.44
10 -10 -10 7.24 4.45
10 -10 -8 1010.45 35.80
-10 -10 -8 1004.62 50.11
-10 -10 -6 57.64 10.02
10 10 -6 54.80 9.05
10 -10 -6 60.11 6.23
-10 -10 -4 1633.79 51.02
10 10 -4 1654.97 54.07
10 -10 -4 1554.15 41.40
-10 -10 -2 18.36 3.27
-10 -10 -2 13.54 2.46
-10 -10 0 2183.35 57.96
10 10 0 2255.34 59.81
10 10 2 31.70 4.60
-10 10 2 30.79 3.62
-10 -10 2 29.47 4.42
-10 -10 2 23.38 4.95
10 -10 2 30.03 2.64
10 10 2 25.35 1.79
10 10 4 1956.68 53.33
-10 -10 4 1841.95 61.00
-10 10 4 1951.27 55.22
10 -10 4 1887.36 54.58
10 10 4 1964.61 45.98
-10 -10 4 2033.04 56.59
-10 -10 6 44.85 9.57
-10 10 6 56.88 8.40
10 10 6 55.79 6.78
10 -10 6 77.68 10.12
10 10 6 62.02 5.70
-10 10 6 50.49 5.17
-10 -10 6 57.03 7.95
-10 10 8 1073.50 47.34
10 -10 8 1060.07 47.27
10 10 8 1115.96 36.31
-10 -10 8 1061.97 54.33
-10 -10 8 1132.48 43.86
10 -10 10 26.51 9.05
-10 10 10 6.69 4.13
-10 -10 10 8.43 8.02
-10 10 12 1255.20 65.64
10 -10 12 1328.86 68.58
-10 -10 12 1152.91 70.76
-10 10 14 46.23 15.72
10 -10 14 43.91 17.79
-10 -10 14 47.33 16.24
-10 -10 16 497.59 55.95
-10 10 16 403.15 47.66
10 -10 16 537.18 55.47
-10 10 18 21.67 15.52
-10 -10 18 39.25 24.07
10 -10 18 57.88 26.35
-10 10 20 472.61 67.67
10 -10 20 421.59 62.57
10 -12 -18 184.84 28.32
10 -12 -16 131.47 21.55
-10 -12 -14 176.01 24.93
10 -12 -14 172.64 21.27
-10 -12 -12 3.96 8.03
10 -12 -12 4.96 6.01
10 -12 -10 923.31 38.30
-10 -12 -10 948.63 53.48
10 -12 -8 390.09 19.94
-10 -12 -8 406.86 29.62
10 -12 -6 692.89 24.97
10 12 -6 714.15 35.62
-10 -12 -6 732.15 34.89
10 -12 -4 108.37 7.45
10 12 -4 114.43 12.61
-10 -12 -4 112.92 9.04
-10 -12 -4 117.67 9.93
10 12 -2 990.46 36.93
-10 -12 -2 1036.24 27.65
-10 -12 -2 1010.86 32.79
10 12 0 210.66 13.47
-10 -12 0 222.61 6.58
-10 -12 0 226.17 13.17
10 -12 2 1057.84 25.42
-10 -12 2 1062.23 37.34
-10 12 2 1103.07 26.06
10 12 4 149.36 6.85
-10 -12 4 134.12 12.98
10 12 4 151.18 10.94
10 -12 4 149.61 10.69
-10 -12 4 139.51 12.13
-10 12 6 698.91 30.90
10 -12 6 682.08 32.95
10 12 6 744.88 22.92
-10 -12 6 722.64 32.79
10 12 6 727.56 28.41
-10 -12 6 709.91 37.32
-10 -12 8 512.69 35.14
10 -12 8 459.37 30.89
10 12 8 481.55 19.98
-10 12 8 507.07 29.36
-10 -12 8 462.24 27.24
-10 12 10 1082.69 52.54
10 -12 10 1181.92 58.41
-10 -12 10 1102.96 61.68
-10 12 12 44.95 12.24
10 -12 12 40.27 13.26
-10 -12 12 45.85 13.18
-10 12 14 319.36 35.28
10 -12 14 373.50 40.90
-10 -12 14 377.60 42.97
-10 12 16 150.06 27.93
10 -12 16 198.44 34.70
-10 -12 16 182.39 34.67
-10 12 18 190.40 35.58
10 -12 18 217.61 40.15
-10 -12 18 241.80 43.78
10 -12 20 38.57 25.07
10 -14 -18 32.79 14.20
10 -14 -16 90.03 17.48
-10 -14 -14 105.38 21.34
10 -14 -14 83.58 14.87
-10 -14 -12 313.11 32.63
10 -14 -12 316.54 24.13
-10 -14 -10 98.12 16.11
10 -14 -10 118.10 12.07
-10 -14 -8 410.86 29.61
10 -14 -8 421.12 20.82
10 -14 -6 235.72 13.05
-10 -14 -6 224.23 17.51
-10 -14 -4 872.99 30.18
10 -14 -4 883.60 27.46
10 14 -4 800.80 36.43
-10 -14 -4 907.86 30.92
-10 -14 -2 276.04 14.91
-10 -14 -2 256.27 10.45
10 14 -2 260.09 17.31
-10 -14 0 754.17 28.93
10 14 0 780.19 30.58
-10 -14 0 829.28 19.85
-10 14 2 221.25 8.20
10 14 2 226.11 14.21
-10 -14 2 230.81 15.09
10 -14 2 227.13 7.55
-10 -14 4 891.19 34.25
-10 14 4 944.54 26.23
10 14 4 904.20 32.88
-10 -14 4 1030.11 40.06
10 -14 4 899.23 30.22
10 14 4 979.93 24.75
10 -14 6 277.85 19.31
-10 -14 6 269.80 22.08
-10 -14 6 250.97 19.10
10 14 6 277.87 11.78
10 14 8 530.41 20.33
-10 -14 8 488.91 35.03
-10 -14 8 494.66 29.70
10 -14 8 570.04 34.11
-10 14 10 113.44 15.13
10 -14 10 119.23 17.84
-10 -14 10 142.10 21.48
-10 14 12 394.62 33.34
10 -14 12 418.21 38.74
-10 -14 12 377.51 39.01
-10 14 14 109.72 20.43
10 -14 14 121.86 24.51
-10 -14 14 127.42 24.82
10 -14 16 170.60 32.80
-10 14 16 144.37 26.79
-10 -14 16 183.10 34.55
-10 14 18 44.87 18.99
10 -14 18 79.02 27.67
-10 -14 18 49.43 25.91
10 -14 20 211.79 45.05
10 -16 -18 260.98 34.81
-10 -16 -16 34.06 17.62
10 -16 -16 32.29 12.09
-10 -16 -14 482.69 44.30
10 -16 -14 447.01 33.55
-10 -16 -12 12.37 11.35
10 -16 -12 -3.20 3.88
-10 -16 -10 810.39 47.94
10 -16 -10 693.31 32.75
10 -16 -8 120.32 10.74
-10 -16 -8 85.70 13.35
-10 -16 -6 1104.38 41.96
10 -16 -6 1069.56 34.71
-10 -16 -4 0.96 2.23
-10 -16 -4 5.29 2.77
10 -16 -4 2.82 1.68
-10 -16 -2 1982.11 25.38
-10 -16 -2 1939.19 38.26
10 16 -2 1942.90 46.36
-10 -16 0 108.02 9.40
10 16 0 125.73 11.04
-10 -16 0 121.66 4.86
10 -16 2 2054.65 46.65
-10 16 2 2047.43 48.30
-10 -16 2 2017.48 61.13
-10 -16 4 8.32 2.91
-10 16 4 6.92 1.98
10 -16 4 11.43 3.22
10 16 6 1289.79 34.23
10 -16 6 1210.83 45.00
-10 -16 6 1250.64 49.13
-10 -16 8 132.16 15.77
-10 -16 8 126.66 17.26
10 16 8 116.95 8.38
10 -16 8 133.69 15.78
-10 16 10 792.50 42.28
10 -16 10 921.38 50.20
-10 -16 10 829.60 52.40
-10 -16 12 7.74 9.96
-10 16 12 10.79 7.74
10 -16 12 3.10 8.20
-10 16 14 670.13 49.03
10 -16 14 639.54 53.82
-10 -16 14 673.01 56.60
-10 16 16 65.85 18.73
10 -16 16 83.99 23.25
-10 -16 16 54.00 19.37
10 -16 18 493.27 59.23
-10 16 18 421.07 50.64
-10 -16 18 460.26 56.87
10 -16 20 23.07 24.87
10 -18 -18 56.93 17.51
-10 -18 -16 7.49 10.70
10 -18 -16 14.08 11.35
-10 -18 -14 119.60 23.78
10 -18 -14 125.79 17.23
-10 -18 -12 0.31 9.39
10 -18 -12 10.40 5.26
-10 -18 -10 132.10 19.51
10 -18 -10 118.97 12.55
10 -18 -8 181.78 13.64
-10 -18 -8 170.82 17.93
10 -18 -6 271.23 14.89
-10 -18 -6 224.91 16.76
10 -18 -4 60.67 6.34
-10 -18 -4 55.59 7.37
-10 -18 -4 53.66 6.53
-10 -18 -2 165.35 12.26
-10 18 -2 175.35 9.69
-10 -18 -2 181.12 8.85
-10 -18 0 147.19 5.99
-10 -18 0 123.83 10.71
-10 18 2 157.72 8.04
10 -18 2 157.03 6.86
-10 -18 2 154.41 13.16
10 -18 4 60.80 5.77
-10 18 4 59.66 5.25
-10 -18 4 52.52 8.54
-10 -18 6 341.64 24.28
-10 -18 6 287.77 23.25
10 -18 6 308.32 18.75
-10 18 6 317.43 14.74
-10 -18 8 211.41 22.61
10 18 8 184.29 10.63
10 -18 8 216.62 19.42
-10 -18 8 183.01 19.51
-10 -18 10 107.21 18.64
10 -18 10 110.55 17.30
-10 -18 12 9.93 9.89
-10 18 12 18.09 9.27
10 -18 12 22.12 10.95
-10 -18 14 142.52 26.76
-10 18 14 147.69 22.64
10 -18 14 152.64 26.85
-10 -18 16 9.13 11.84
10 -18 16 14.06 11.73
-10 18 16 13.24 9.64
-10 18 18 61.57 21.78
10 -18 18 57.80 22.82
-10 -18 18 115.01 32.54
-10 -20 -16 41.19 18.11
10 -20 -16 14.93 8.21
10 -20 -14 506.85 35.88
-10 -20 -14 529.71 48.87
-10 -20 -12 56.58 16.63
10 -20 -12 45.14 9.25
10 -20 -10 878.44 38.10
-10 -20 -10 834.25 48.70
-10 -20 -8 36.37 8.85
10 -20 -8 43.19 6.73
10 -20 -6 626.96 25.68
-10 -20 -6 676.02 30.25
-10 -20 -4 61.63 7.93
10 -20 -4 67.45 6.84
-10 -20 -4 60.20 6.64
10 -20 -2 781.59 26.08
-10 -20 -2 707.57 29.32
-10 -20 -2 762.89 23.03
-10 20 -2 693.17 24.96
-10 20 0 34.41 4.75
-10 -20 0 30.07 3.04
-10 -20 0 38.32 6.37
-10 20 2 665.90 21.58
10 -20 2 678.78 19.27
-10 -20 2 620.64 29.36
-10 20 4 71.89 5.98
10 -20 4 71.48 6.15
-10 -20 4 74.34 10.53
-10 -20 6 656.60 35.99
10 -20 6 610.22 26.95
-10 -20 6 622.70 35.08
-10 20 6 633.25 23.26
10 -20 8 25.33 7.05
-10 -20 8 24.09 9.14
-10 20 8 36.43 5.93
-10 -20 10 1022.04 57.95
10 -20 10 1068.00 52.78
-10 -20 12 87.46 18.33
-10 20 12 64.57 13.31
10 -20 12 93.93 18.68
-10 -20 14 654.71 54.75
10 -20 14 509.13 45.65
-10 20 14 536.70 41.64
-10 -20 16 17.11 17.43
-10 20 16 12.41 10.41
10 -20 16 29.28 16.92
-10 20 18 270.55 39.10
10 -20 18 313.17 44.18
-10 -22 -18 19.71 17.80
-10 -22 -16 308.07 40.24
10 -22 -16 294.38 31.58
-10 -22 -14 34.79 14.54
10 -22 -14 40.81 10.27
-10 -22 -12 218.68 28.14
10 -22 -12 202.01 20.13
10 -22 -10 35.66 7.94
-10 -22 -10 38.11 12.24
10 -22 -8 363.42 20.86
-10 -22 -8 347.24 25.55
-10 -22 -6 166.83 14.29
10 -22 -6 163.42 12.34
10 -22 -4 512.64 21.91
-10 22 -4 492.29 21.60
-10 -22 -4 542.13 21.95
-10 -22 -4 524.61 24.82
10 -22 -2 133.11 9.64
-10 22 -2 134.06 10.06
-10 -22 -2 137.63 11.98
-10 -22 -2 120.96 7.83
-10 -22 0 177.37 14.03
-10 22 0 180.13 11.09
-10 -22 0 190.53 8.80
-10 22 2 110.28 8.05
10 -22 2 116.81 6.62
-10 -22 2 106.43 11.45
-10 -22 4 515.00 28.89
-10 22 4 521.08 19.96
10 -22 4 538.54 19.59
10 -22 6 211.99 14.35
-10 -22 6 184.46 18.82
-10 22 6 182.28 11.71
10 -22 8 374.38 24.21
-10 -22 8 347.72 29.29
10 -22 10 33.81 10.52
-10 -22 10 25.76 10.78
-10 -22 12 243.14 30.26
-10 22 12 197.77 21.87
10 -22 12 243.15 26.07
-10 -22 14 48.81 15.19
-10 22 14 42.24 12.47
10 -22 14 62.14 17.23
-10 22 16 372.40 38.32
-10 -22 16 378.40 46.08
10 -22 16 395.89 42.75
-10 22 18 13.07 14.04
-10 -24 -16 30.36 17.72
10 -24 -16 34.02 12.27
-10 -24 -14 45.75 17.39
10 -24 -14 25.04 9.17
-10 -24 -12 90.63 19.80
10 -24 -12 90.88 13.52
-10 -24 -10 98.82 16.87
10 -24 -10 90.37 11.85
10 -24 -8 92.46 10.45
-10 -24 -8 94.80 13.20
10 -24 -6 167.52 12.90
-10 -24 -6 174.17 14.62
-10 24 -4 81.59 8.36
-10 -24 -4 89.30 8.32
10 -24 -4 99.97 9.10
-10 24 -2 373.24 18.77
-10 -24 -2 384.74 21.79
10 -24 -2 443.00 19.41
-10 -24 -2 400.52 16.39
-10 24 0 248.69 14.08
-10 -24 0 255.51 11.23
-10 -24 0 285.27 18.56
-10 24 2 422.37 18.38
-10 -24 2 404.49 23.88
10 -24 2 451.30 15.74
-10 24 4 105.68 8.62
10 -24 4 123.79 8.47
-10 -24 4 105.56 12.84
-10 24 6 201.07 12.82
-10 -24 6 186.60 18.66
10 -24 6 202.07 13.83
10 -24 8 102.59 12.23
-10 -24 8 113.70 16.63
10 -24 10 105.43 14.93
-10 -24 10 100.25 17.12
10 -24 12 110.64 17.73
-10 24 12 69.13 12.93
-10 -24 12 105.94 19.32
10 -24 14 48.68 15.66
-10 24 14 42.83 11.74
-10 -24 14 54.41 17.23
-10 -24 16 14.33 14.54
-10 24 16 14.43 10.42
-10 -26 -16 132.46 29.90
-10 -26 -14 33.15 17.55
10 -26 -14 18.15 9.35
-10 -26 -12 234.18 30.15
10 -26 -12 225.78 22.06
-10 -26 -10 1.27 8.00
10 -26 -10 4.66 3.97
-10 -26 -8 444.34 29.86
10 -26 -8 451.02 25.17
10 -26 -6 9.77 3.83
-10 -26 -6 21.05 6.32
-10 -26 -4 673.23 27.07
10 -26 -4 662.78 27.61
-10 -26 -2 75.91 9.70
-10 26 -2 58.88 7.40
10 -26 -2 61.67 7.04
-10 -26 -2 65.24 6.48
-10 26 0 308.28 16.66
-10 -26 0 304.59 20.17
-10 -26 0 324.01 13.64
-10 26 2 53.39 6.84
10 -26 2 70.61 5.95
-10 -26 2 70.62 10.09
10 -26 4 654.94 23.49
-10 -26 4 614.82 33.09
10 -26 6 14.46 4.31
-10 -26 6 25.86 8.70
-10 -26 8 505.60 35.73
10 -26 8 578.59 29.63
10 -26 10 0.65 3.87
-10 -26 10 4.66 5.41
-10 -26 12 225.63 28.48
-10 26 14 25.57 10.56
-10 -26 14 22.44 13.30
-10 26 16 126.52 21.86
-10 -28 -14 7.44 12.47
10 -28 -14 18.91 9.31
10 -28 -12 34.52 10.36
-10 -28 -12 26.26 13.15
10 -28 -10 10.24 5.32
-10 -28 -10 24.71 11.37
10 -28 -8 97.16 11.46
-10 -28 -8 102.39 14.28
10 -28 -6 79.68 9.65
-10 -28 -6 72.79 10.50
-10 -28 -4 65.31 8.28
10 -28 -4 71.21 8.57
-10 -28 -2 132.63 13.35
-10 -28 -2 160.26 10.59
10 -28 -2 144.21 11.66
-10 -28 0 173.14 15.47
-10 -28 0 185.23 10.38
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-10 -28 4 84.80 11.82
10 -28 4 73.78 7.20
-10 -28 6 124.49 15.64
-10 -28 8 105.00 16.06
-10 -28 10 13.15 7.35
-10 -28 12 40.34 13.55
-10 -28 14 32.18 13.26
10 -30 -12 139.06 17.96
10 -30 -10 58.31 11.15
-10 -30 -10 56.00 14.33
10 -30 -8 119.99 13.34
-10 -30 -8 100.48 15.17
10 -30 -6 52.43 8.02
-10 -30 -6 44.55 9.52
-10 -30 -4 234.40 15.89
10 -30 -4 227.90 16.19
10 -30 -2 62.43 7.86
-10 -30 -2 55.95 6.86
-10 -30 -2 59.79 9.41
-10 -30 0 127.61 8.93
-10 -30 0 115.66 13.23
-10 -30 2 62.82 10.69
-10 -30 2 67.84 6.18
-10 -30 4 209.88 19.35
-10 -30 6 31.34 8.94
-10 -30 8 120.20 17.14
-10 -30 10 50.86 13.31
-10 -30 12 76.68 17.40
-10 -30 14 16.88 11.67
10 -32 -12 30.75 11.78
10 -32 -10 151.75 17.23
10 -32 -8 28.04 7.52
10 -32 -6 223.51 17.47
10 -32 -4 2.07 3.50
-10 -32 -4 5.03 3.93
10 -32 -2 166.01 13.66
-10 -32 -2 169.35 12.20
-10 -32 -2 195.91 17.03
-10 -32 0 101.81 8.49
-10 -32 0 83.15 11.65
10 -32 0 104.04 10.11
-10 -32 2 127.68 9.23
-10 -32 2 165.75 16.62
-10 -32 4 12.64 6.37
-10 -32 6 253.60 23.30
-10 -32 8 21.35 8.59
-10 -32 10 121.70 19.63
-10 -32 12 6.24 8.44
10 -34 -10 32.93 9.45
10 -34 -8 -0.19 4.12
10 -34 -6 55.85 9.83
10 -34 -4 15.79 4.97
-10 -34 -2 55.76 9.28
10 -34 -2 63.18 8.75
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10 -34 0 27.41 5.60
-10 -34 2 73.01 11.93
-10 -34 4 11.04 5.99
-10 -34 6 41.01 9.90
-10 -34 8 4.78 5.42
-10 -34 10 35.44 11.94
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10 -36 -8 9.04 5.94
10 -36 -6 177.90 16.92
10 -36 -4 25.21 6.94
10 -36 -2 295.39 19.89
10 -36 0 25.34 5.96
-10 -36 0 31.76 8.23
-10 -36 2 236.24 21.29
-10 -36 4 3.34 4.93
-10 -36 6 256.82 24.71
-10 -36 8 18.48 9.92
-10 -36 10 99.78 18.14
10 -38 -6 25.64 7.76
10 -38 -4 47.62 8.88
10 -38 -2 18.68 6.45
-10 -38 0 32.84 8.41
10 -38 0 51.33 8.30
10 -38 2 44.66 8.00
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10 -40 -2 76.05 11.21
10 -40 0 26.25 6.88
10 -40 2 98.60 11.96
11 1 -17 25.90 9.42
11 -1 -17 19.06 12.98
11 1 -15 46.10 15.12
11 -1 -15 57.07 14.99
11 1 -13 217.43 25.07
11 -1 -13 248.89 26.09
11 -1 -11 115.79 15.84
11 1 -11 92.80 15.93
11 1 -9 58.22 10.44
11 -1 -9 76.87 11.28
11 -1 -7 230.80 15.20
11 -1 -7 241.66 16.84
11 1 -7 243.12 17.80
11 1 -7 224.80 16.29
11 -1 -5 500.26 24.40
11 -1 -5 501.73 19.11
11 1 -5 560.32 26.78
11 1 -5 497.78 20.28
11 -1 -3 169.37 7.55
11 -1 -3 180.16 12.64
11 1 -3 192.95 12.91
11 1 -3 170.93 7.76
-11 1 -1 302.17 10.51
11 1 -1 304.78 8.78
11 -1 -1 299.18 13.16
-11 -1 -1 303.68 11.42
11 1 -1 302.66 13.66
-11 1 1 160.94 8.40
-11 -1 1 164.30 9.00
11 1 1 170.84 8.48
11 -1 1 168.45 7.62
-11 -1 3 197.69 7.81
11 1 3 216.28 9.93
11 -1 3 212.01 9.22
-11 1 3 223.93 14.08
-11 -1 3 210.45 13.80
-11 1 3 218.17 8.32
11 1 5 587.57 28.59
-11 -1 5 548.48 18.39
-11 -1 5 583.39 30.76
-11 1 5 570.63 18.47
-11 1 5 573.84 30.31
11 -1 7 339.66 25.94
-11 1 7 289.01 24.77
-11 -1 7 306.45 25.60
-11 1 7 305.49 14.28
-11 -1 7 285.56 14.44
11 1 7 307.70 23.37
11 1 9 33.51 9.51
-11 1 9 34.22 5.66
-11 1 9 58.69 13.08
-11 -1 9 38.24 9.51
11 -1 9 38.18 10.60
-11 -1 9 33.46 5.31
-11 -1 11 190.48 26.62
-11 1 11 175.98 24.47
-11 1 13 353.07 40.37
-11 -1 13 304.32 37.36
11 -1 15 82.37 17.85
-11 1 15 90.37 25.22
-11 -1 15 83.98 23.81
11 1 17 52.53 16.68
11 -1 17 53.86 16.37
-11 -1 17 51.46 20.07
11 1 19 117.74 27.83
11 -1 19 127.86 29.55
-11 1 19 222.42 46.61
-11 -1 19 192.58 44.98
11 -3 -19 213.83 31.58
11 -3 -17 207.04 29.13
11 3 -15 290.00 31.88
11 -3 -15 287.92 31.63
11 3 -13 433.35 36.01
11 -3 -13 386.36 32.65
11 -3 -11 579.86 34.46
11 3 -11 550.94 38.13
11 3 -9 194.34 20.03
11 -3 -9 232.83 17.58
11 -3 -7 398.46 19.70
11 3 -7 399.84 24.70
11 3 -5 938.34 38.21
11 3 -5 911.36 32.60
11 -3 -5 922.02 28.49
11 -3 -3 1235.12 31.06
11 -3 -3 1196.32 38.32
11 3 -3 1257.86 40.75
-11 -3 -3 1274.48 33.43
11 3 -3 1185.82 32.30
11 3 -1 849.74 27.82
-11 3 -1 846.72 21.38
11 3 -1 866.56 19.95
11 -3 -1 840.47 25.64
-11 -3 -1 894.39 25.38
11 -3 1 778.36 20.97
-11 -3 1 816.56 25.98
-11 3 1 814.33 22.73
11 3 1 844.87 24.85
11 -3 3 1227.09 31.43
-11 -3 3 1271.15 30.15
11 3 3 1232.57 34.27
-11 3 3 1261.11 40.24
-11 -3 3 1319.99 42.15
-11 -3 5 1128.35 46.82
-11 -3 5 1201.60 32.96
-11 3 5 1209.64 32.25
-11 3 5 1165.88 46.35
11 3 5 1214.00 35.07
11 3 5 1193.10 44.77
-11 3 7 623.54 36.42
-11 -3 7 612.44 37.15
-11 -3 7 577.72 22.80
-11 3 7 590.90 21.39
11 3 7 609.31 32.45
-11 -3 9 299.89 29.04
-11 3 9 265.54 26.53
-11 -3 9 273.10 16.76
11 3 9 285.12 23.14
-11 3 11 884.03 56.38
-11 -3 11 877.82 58.04
-11 3 13 625.33 53.25
-11 -3 13 611.21 53.35
11 -3 13 588.26 41.45
11 -3 15 533.25 44.90
-11 3 15 458.88 51.38
-11 -3 15 629.44 60.31
11 -3 17 361.71 42.61
-11 3 17 487.71 59.68
-11 -3 17 428.27 56.67
11 3 19 390.36 46.66
11 -3 19 361.49 48.89
-11 3 19 489.59 69.02
11 -5 -19 10.61 9.51
11 -5 -17 22.23 10.24
11 -5 -15 41.31 12.72
11 -5 -13 48.15 11.93
11 5 -11 64.61 13.78
11 -5 -11 64.63 11.47
11 5 -9 89.40 13.82
11 -5 -9 65.76 9.15
11 -5 -7 314.42 16.41
11 5 -7 330.63 22.78
11 5 -7 286.01 22.13
11 5 -5 23.79 5.83
11 -5 -5 20.71 3.72
11 5 -5 21.91 5.58
11 5 -3 42.81 5.23
11 -5 -3 50.23 5.28
-11 -5 -3 46.71 4.96
11 -5 -3 41.80 3.74
11 5 -3 59.80 7.73
11 5 -1 640.08 23.51
-11 -5 -1 633.70 20.88
11 -5 -1 618.03 19.80
11 5 -1 606.72 15.55
-11 5 1 628.48 17.63
11 -5 1 617.67 16.08
11 5 1 620.36 21.55
11 5 1 612.39 18.29
11 5 3 56.86 6.51
-11 -5 3 46.01 6.32
-11 5 3 59.31 6.79
11 5 3 47.10 5.03
-11 -5 3 55.06 3.73
-11 5 5 25.61 3.40
-11 -5 5 27.51 3.86
-11 5 5 37.34 6.97
11 5 5 28.83 4.42
-11 -5 5 31.41 9.41
11 5 5 17.42 4.78
-11 5 7 330.27 25.66
-11 -5 7 343.44 17.48
11 5 7 366.65 17.64
-11 5 7 324.93 14.88
-11 -5 7 335.16 27.12
11 5 7 372.86 22.33
-11 -5 9 87.55 9.73
-11 5 9 95.63 15.60
-11 -5 9 97.83 16.93
11 5 9 84.53 11.56
11 -5 11 105.51 14.74
-11 5 11 86.18 16.10
11 -5 13 103.02 17.83
-11 5 13 91.36 20.10
-11 -5 13 122.92 25.08
-11 -5 15 67.73 21.95
11 -5 15 37.82 12.82
-11 5 15 65.56 20.33
-11 -5 17 37.36 20.48
11 -5 17 2.19 9.06
-11 5 17 39.92 22.52
11 5 19 26.09 17.25
11 -5 19 33.46 19.47
-11 5 19 -18.56 19.99
-11 -5 19 2.10 21.38
11 -7 -19 172.54 28.93
11 -7 -17 176.73 26.31
11 -7 -15 372.59 33.96
11 -7 -13 445.78 32.72
11 -7 -11 351.61 24.78
11 -7 -9 302.18 19.06
11 7 -7 712.46 35.77
11 7 -7 747.62 37.19
11 -7 -7 786.29 28.16
11 7 -5 439.68 23.86
11 7 -5 522.17 27.30
11 -7 -5 483.72 17.86
-11 -7 -3 620.47 21.50
11 7 -3 645.66 27.22
11 -7 -3 588.32 18.56
11 7 -1 526.49 21.51
-11 -7 -1 469.13 18.48
-11 -7 1 489.67 20.44
11 7 1 523.24 20.17
-11 7 1 534.59 14.23
-11 -7 3 633.51 27.42
11 7 3 649.86 23.15
-11 7 3 631.19 25.22
-11 -7 3 670.51 18.95
11 7 3 653.40 19.89
-11 -7 5 391.78 17.19
-11 7 5 409.09 23.69
11 7 5 417.69 18.17
-11 7 5 424.68 15.46
11 7 5 433.19 18.57
-11 7 7 899.72 43.17
11 7 7 1016.35 33.69
-11 -7 7 860.09 45.75
-11 7 7 938.17 29.23
11 7 7 880.27 33.92
-11 -7 7 919.11 33.77
-11 -7 9 365.27 21.49
11 -7 9 346.68 25.18
-11 7 9 410.81 31.51
-11 -7 9 406.60 33.96
11 7 9 368.63 22.04
11 -7 11 549.98 37.12
-11 7 11 565.86 42.97
-11 -7 11 581.73 45.80
11 -7 13 597.22 45.11
-11 7 13 643.27 51.45
-11 -7 13 640.23 54.53
11 -7 15 564.78 49.33
-11 7 15 582.90 54.76
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-13 -19 1 488.12 24.99
-13 -19 3 366.79 22.95
-13 19 3 359.74 12.87
13 -19 3 357.83 10.54
-13 19 5 116.00 10.60
13 -19 5 140.67 9.14
-13 -19 5 118.33 14.03
-13 -19 5 134.26 13.93
-13 19 5 130.94 8.12
-13 19 7 612.25 31.15
-13 -19 7 624.53 38.43
-13 19 7 655.70 24.14
13 19 7 641.47 21.02
13 -19 7 647.15 30.18
-13 -19 7 640.50 33.87
-13 -19 9 244.10 25.98
-13 19 9 224.61 20.67
13 -19 9 233.81 21.40
-13 -19 11 413.66 37.80
-13 19 11 332.80 28.92
13 -19 11 427.48 33.63
-13 19 13 263.60 29.17
13 -19 13 275.70 31.10
-13 -19 13 306.58 35.84
-13 -19 15 250.61 36.53
13 -19 15 285.11 35.19
-13 -19 17 209.01 36.51
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13 -19 17 142.98 29.19
-13 -21 -15 81.47 22.96
13 -21 -15 76.82 15.45
-13 -21 -13 61.67 19.01
13 -21 -13 41.29 9.74
-13 -21 -11 127.79 23.73
13 -21 -11 142.13 15.12
-13 -21 -9 57.10 14.64
13 -21 -9 58.68 8.59
-13 -21 -7 93.45 13.87
13 -21 -7 95.90 10.04
13 -21 -5 91.04 8.73
-13 -21 -5 99.65 10.67
13 -21 -3 204.78 12.56
-13 -21 -3 210.55 12.40
-13 -21 -3 210.74 15.42
-13 -21 -1 165.03 13.74
-13 -21 -1 171.07 8.37
-13 -21 1 211.09 16.23
-13 -21 1 204.37 8.00
-13 21 1 183.04 7.95
13 -21 3 203.73 7.38
-13 21 3 208.73 9.81
-13 -21 3 222.84 17.93
-13 -21 5 88.36 12.33
-13 21 5 97.59 7.32
13 -21 5 98.64 7.25
-13 -21 5 94.39 12.60
13 -21 7 115.44 11.44
-13 -21 7 99.64 14.46
-13 21 7 91.99 11.39
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-13 -21 7 97.90 15.16
13 -21 9 63.09 11.23
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-13 -21 9 59.90 13.42
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-13 -21 11 144.12 22.44
13 -21 11 123.32 18.08
-13 -21 13 26.33 12.77
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13 -21 13 57.47 15.06
-13 -21 15 87.79 21.49
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13 -21 15 116.12 22.83
-13 21 17 23.61 15.07
-13 -23 -15 127.19 27.24
13 -23 -15 118.59 18.30
-13 -23 -13 249.62 34.03
13 -23 -13 208.93 21.80
13 -23 -11 79.60 11.81
-13 -23 -11 93.84 20.38
13 -23 -9 347.07 21.91
-13 -23 -9 376.52 32.52
13 -23 -7 201.63 14.95
-13 -23 -7 209.37 19.64
13 -23 -5 559.13 24.41
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13 -23 -3 145.53 10.90
-13 -23 -3 161.96 11.07
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13 -23 3 258.62 9.05
-13 -23 5 508.54 30.45
-13 -23 5 490.57 30.73
13 -23 5 518.12 18.63
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13 -23 7 229.91 15.33
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-13 -23 9 398.19 33.92
13 -23 9 410.59 26.44
13 -23 11 119.41 17.13
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-13 -23 11 145.83 22.71
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13 -23 13 224.10 26.64
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-13 -25 -15 80.95 22.30
13 -25 -15 78.56 15.72
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13 -25 -13 52.55 11.25
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13 -25 -11 100.04 13.59
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13 -25 -9 47.34 8.74
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13 -25 -7 146.09 13.03
13 -25 -5 202.49 14.35
-13 -25 -5 190.01 15.51
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13 -25 -3 219.27 14.15
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-13 -25 -1 109.31 12.20
-13 -25 -1 125.52 7.94
-13 -25 1 107.11 12.33
-13 25 1 116.99 7.34
-13 -25 1 109.18 6.52
-13 -25 3 137.06 14.63
13 -25 5 233.93 11.67
-13 -25 5 229.05 20.75
-13 -25 7 158.37 18.73
13 -25 7 169.51 12.83
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13 -25 9 84.43 11.69
-13 -25 9 72.87 14.46
-13 25 11 83.30 13.61
-13 -25 11 79.58 16.53
-13 25 13 52.18 12.63
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13 -27 -13 119.53 17.26
-13 -27 -11 29.67 15.01
13 -27 -11 35.32 8.53
-13 -27 -9 80.01 16.97
13 -27 -9 75.99 10.97
13 -27 -7 236.60 17.45
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13 -27 -5 91.62 10.01
-13 -27 -5 88.61 11.07
13 -27 -3 146.00 11.91
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-13 -27 -3 137.89 10.79
-13 -27 -1 124.33 13.27
-13 -27 -1 158.15 9.47
-13 -27 1 152.21 15.03
-13 -27 1 153.71 8.47
-13 -27 3 146.69 15.96
-13 -27 5 112.19 14.65
-13 -27 7 276.78 25.46
-13 27 9 64.30 10.50
-13 -27 9 87.61 15.96
-13 27 11 36.79 9.62
-13 -27 11 99.31 18.56
-13 -27 13 118.91 22.04
13 -29 -13 146.84 19.50
13 -29 -11 138.54 16.96
13 -29 -9 100.81 12.76
13 -29 -7 227.47 17.52
-13 -29 -7 239.94 23.08
13 -29 -5 397.08 22.26
-13 -29 -5 410.20 24.66
13 -29 -3 438.75 22.27
-13 -29 -3 387.83 20.03
-13 -29 -3 412.85 25.32
-13 -29 -1 243.30 19.09
13 -29 -1 219.08 14.94
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-13 -29 1 193.00 10.18
-13 -29 3 382.00 26.40
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-13 -29 5 415.57 29.58
-13 -29 7 328.00 28.28
-13 -29 9 148.98 20.51
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13 -31 -11 20.99 8.49
13 -31 -9 73.96 11.26
13 -31 -7 46.41 8.59
13 -31 -5 47.96 7.93
-13 -31 -3 53.00 9.18
13 -31 -3 60.98 8.67
13 -31 -1 10.03 4.02
-13 -31 -1 21.95 6.82
-13 -31 1 4.45 4.30
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-13 -31 5 39.39 9.58
-13 -31 7 33.04 9.75
-13 -31 9 66.18 14.46
-13 -31 11 32.72 12.37
13 -33 -9 108.99 14.65
13 -33 -7 105.56 12.54
13 -33 -5 223.56 17.70
13 -33 -3 148.17 13.42
-13 -33 -1 115.40 14.22
13 -33 -1 111.50 11.40
-13 -33 1 60.96 10.50
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-13 -33 5 208.55 21.61
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13 -35 -7 49.25 9.50
13 -35 -5 103.26 12.48
13 -35 -3 75.62 10.19
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13 -35 -1 149.38 13.65
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13 -37 -5 67.80 11.17
13 -37 -3 124.47 13.60
13 -37 -1 80.12 10.61
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13 -37 1 93.79 11.16
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13 -39 -1 151.95 15.25
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13 -39 1 149.38 14.73
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-13 -39 5 92.92 16.02
14 0 -18 342.43 37.68
14 0 -16 20.25 12.25
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14 0 -12 -4.64 4.81
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14 0 -8 0.63 3.30
14 0 -8 -4.50 3.17
14 0 -6 1816.15 58.65
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14 0 -4 1.26 4.28
14 0 -4 1.69 1.21
14 0 -2 1740.57 40.13
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14 0 -2 1670.96 49.29
-14 0 0 1.37 0.85
14 0 0 5.32 2.01
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14 0 4 -0.49 1.51
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-14 0 6 2185.45 53.45
14 0 6 2126.64 56.15
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14 0 18 553.26 50.27
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14 -2 -20 20.35 13.49
14 -2 -18 140.86 24.19
14 -2 -16 -5.29 6.03
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14 2 -14 270.86 29.79
14 -2 -14 295.05 29.95
14 2 -12 80.52 15.05
14 -2 -12 94.44 15.00
14 -2 -10 442.35 27.80
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14 -2 -8 328.47 20.86
14 2 -8 320.82 22.33
14 -2 -8 316.74 18.94
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14 -2 -6 997.91 38.40
14 2 -6 963.36 40.60
14 2 -6 939.61 33.54
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14 -2 -4 590.43 27.01
14 2 -4 609.10 28.27
14 -2 -4 551.11 18.69
14 2 -4 614.78 20.02
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14 2 -2 1257.25 29.98
14 -2 -2 1257.82 38.78
14 2 -2 1245.40 39.70
14 -2 -2 1224.87 30.73
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14 -2 0 491.46 17.28
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14 -2 2 1437.83 36.89
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14 2 4 628.48 22.24
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14 2 6 1113.48 46.66
14 2 6 1173.57 35.26
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14 2 8 429.13 30.45
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-14 2 14 397.98 46.66
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14 -2 16 23.13 12.20
-14 2 16 42.73 21.86
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14 2 18 282.79 35.27
14 -2 18 338.55 40.62
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14 2 20 14.93 14.70
14 -2 20 17.81 16.87
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14 -4 -18 190.94 30.22
14 -4 -16 66.31 17.44
14 4 -14 392.51 34.91
14 -4 -14 339.45 31.58
14 4 -12 237.31 24.90
14 -4 -12 241.60 22.58
14 -4 -10 743.72 35.74
14 4 -10 822.23 44.06
14 -4 -8 218.44 14.91
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14 -4 -6 1100.63 38.77
14 4 -6 1041.89 43.52
14 -4 -6 1039.91 32.76
14 4 -6 1028.59 38.51
14 -4 -4 506.67 17.63
14 4 -4 560.18 26.97
14 4 -4 537.54 20.37
-14 -4 -2 867.44 27.01
14 -4 -2 903.11 30.20
14 4 -2 875.98 22.55
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14 -4 -2 864.73 23.45
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14 4 0 264.15 13.60
14 -4 0 234.33 10.45
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14 -4 2 763.17 21.30
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14 4 2 789.22 25.70
14 4 4 656.23 28.89
14 -4 4 670.25 20.60
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14 4 4 695.13 24.12
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14 4 6 1235.68 38.12
14 4 6 1179.36 47.39
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-14 -4 8 268.80 14.51
14 4 8 236.72 14.89
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14 4 8 247.31 20.55
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14 -4 14 561.54 42.00
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14 -4 16 132.53 23.86
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14 -4 18 249.78 36.29
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14 6 -10 32.08 8.79
14 -6 -10 26.84 6.39
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14 6 -6 361.81 23.14
14 -6 -6 405.81 17.29
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14 -6 -4 860.61 29.11
14 -6 -4 813.26 24.41
14 6 -4 757.93 33.84
14 6 -4 783.74 30.04
14 -6 -2 143.13 9.29
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14 6 -2 141.86 7.45
14 6 -2 133.83 11.47
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14 6 0 1112.55 35.51
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14 -6 0 1138.36 29.28
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14 -6 2 106.28 5.26
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14 6 2 106.08 8.44
14 6 2 103.75 7.81
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14 6 4 1117.79 34.41
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14 -6 4 1063.16 28.44
14 6 4 1014.03 35.97
14 6 6 324.07 16.98
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14 6 6 359.95 21.16
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14 6 8 632.95 31.71
-14 6 10 59.29 14.58
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14 -6 12 569.24 38.48
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14 -6 14 96.25 18.34
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14 -6 16 426.25 43.72
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14 -6 18 130.91 29.10
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14 -6 20 293.10 47.01
-14 6 20 406.13 65.09
14 -8 -18 13.49 12.53
14 -8 -16 132.94 22.19
14 -8 -14 44.28 11.90
14 -8 -12 889.65 43.25
14 -8 -10 9.44 5.08
14 -8 -8 636.99 26.66
14 8 -6 192.82 16.30
14 -8 -6 226.45 12.51
14 8 -6 234.68 19.26
14 -8 -4 1434.07 38.85
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14 8 -2 118.87 11.30
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14 8 0 455.13 20.56
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14 8 2 98.56 3.89
14 8 2 113.72 8.96
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14 -8 2 95.25 3.85
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14 8 4 1520.62 40.66
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14 8 6 297.20 16.10
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14 8 6 295.70 16.35
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14 -8 10 6.06 4.71
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14 -8 12 1250.03 62.44
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14 -8 14 27.78 11.77
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14 -8 16 287.45 37.89
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14 -8 18 43.60 21.26
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14 -10 -18 76.93 19.67
14 -10 -16 138.76 21.74
14 -10 -14 95.43 15.48
14 -10 -12 557.30 32.85
14 -10 -10 282.07 19.15
14 -10 -8 878.96 32.50
14 -10 -6 64.42 6.40
14 -10 -4 1397.59 38.23
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14 10 -2 11.12 4.20
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14 10 0 1022.41 35.00
14 10 2 2.36 2.53
14 10 2 4.75 0.69
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14 -10 4 1418.95 41.72
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14 10 4 1464.10 45.12
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14 10 4 1525.47 36.74
-14 -10 6 44.81 9.16
14 -10 6 49.03 7.31
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14 10 8 934.36 33.33
14 -10 8 951.18 41.76
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14 -10 10 330.58 27.36
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14 -10 12 916.76 53.74
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14 -10 14 151.39 24.36
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14 -10 16 259.25 36.78
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14 -10 18 144.80 32.56
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14 -12 -18 36.32 15.53
14 -12 -16 33.35 11.64
14 -12 -14 59.52 12.03
14 -12 -12 233.79 20.00
14 -12 -10 201.10 15.98
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14 -12 -8 144.48 11.68
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14 -12 6 45.66 7.88
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14 12 6 39.43 4.33
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14 -12 8 179.47 17.56
14 12 8 179.69 11.65
-14 -12 8 201.11 15.11
-14 -12 8 168.19 20.52
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14 -12 10 231.71 23.35
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14 -12 12 380.20 34.96
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14 -12 14 114.59 22.64
-14 12 14 77.19 19.90
-14 -12 14 84.78 22.96
14 -12 16 66.02 20.96
-14 12 16 24.41 13.34
-14 -12 16 51.93 19.41
14 -12 18 75.17 24.85
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-14 -12 18 68.73 24.05
14 -12 20 183.25 39.53
14 -14 -18 55.73 17.25
14 -14 -16 99.74 17.73
14 -14 -14 80.61 14.07
14 -14 -12 112.63 13.67
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14 -14 -10 437.15 24.56
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14 -14 -8 203.00 14.16
14 -14 -6 454.37 19.64
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14 -14 -4 285.74 13.87
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14 -14 8 250.79 21.23
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14 -14 12 183.44 25.22
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14 -14 14 163.84 26.25
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14 -16 -16 6.45 7.60
14 -16 -14 193.87 21.13
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14 -16 -12 153.55 16.40
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14 -16 -10 449.12 25.04
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14 -16 -8 17.22 4.60
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14 16 8 9.80 2.56
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14 -16 10 479.85 34.92
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14 -22 -12 206.22 19.42
14 -22 -10 195.21 17.20
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23 -21 -9 2.90 2.77
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24 -8 -16 0.93 7.55
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24 -8 -10 100.71 11.71
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24 -10 -16 19.05 10.54
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24 -12 -14 -3.41 4.59
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24 -14 -16 2.65 7.55
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25 -1 -17 23.89 13.05
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-41 -15 7 106.26 18.76
41 -17 -7 57.35 9.90
41 -17 -5 70.93 10.02
-41 -17 -3 89.65 13.86
41 -17 -3 128.58 12.82
41 -17 -1 104.28 11.21
-41 -17 -1 113.39 16.40
-41 -17 1 95.40 15.53
-41 -17 3 98.27 15.73
-41 -17 5 101.28 17.66
41 -19 -5 0.65 3.12
-41 -19 -3 43.31 10.60
41 -19 -3 31.47 6.60
41 -19 -1 74.50 9.67
-41 -19 -1 91.31 15.04
41 -19 1 103.14 11.28
-41 -19 1 106.76 16.77
-41 -19 3 50.64 12.18
41 -21 -3 103.28 12.30
41 -21 -1 171.24 15.18
41 -21 1 144.89 13.77
-42 0 0 -0.12 2.91
-42 0 2 124.37 13.34
-42 0 4 7.34 5.40
-42 0 6 157.23 17.26
-42 0 8 9.17 7.61
-42 0 10 46.75 11.97
-42 0 12 -6.03 7.89
42 -2 -6 216.93 16.34
42 -2 -4 32.91 6.17
-42 -2 -2 344.34 21.79
42 -2 -2 303.82 16.25
42 -2 0 55.86 6.34
-42 2 0 53.35 8.36
-42 -2 0 67.80 10.13
42 -2 2 272.34 14.47
-42 -2 2 296.46 21.72
-42 2 2 288.96 19.50
-42 -2 4 50.28 9.97
-42 2 4 42.36 8.55
-42 -2 6 305.44 25.06
-42 2 6 288.95 22.71
-42 2 8 37.44 9.54
-42 -2 8 59.52 12.63
-42 2 10 182.31 21.91
-42 -2 10 149.03 21.42
-42 -2 12 -2.74 8.65
42 -4 -8 124.91 14.00
42 -4 -6 93.20 10.49
42 -4 -4 63.71 8.12
-42 -4 -2 59.90 9.46
42 -4 -2 60.14 7.20
-42 4 0 71.33 8.69
-42 -4 0 73.96 10.76
42 -4 0 73.63 7.67
-42 -4 2 26.22 7.28
-42 4 2 40.90 7.29
-42 -4 4 97.92 14.16
-42 4 4 64.79 9.45
-42 -4 6 112.36 15.85
-42 4 6 87.63 12.13
-42 -4 8 115.78 17.61
-42 -4 10 57.09 15.07
-42 -4 12 42.52 13.89
42 -6 -10 23.55 7.55
42 -6 -8 34.88 7.82
42 -6 -6 62.07 9.00
42 -6 -4 51.90 7.42
42 -6 -2 23.94 4.84
-42 -6 -2 39.95 8.18
-42 -6 0 24.90 7.31
42 -6 0 20.49 4.65
-42 -6 2 42.42 8.72
-42 -6 4 58.95 11.70
-42 -6 6 79.00 13.72
-42 -6 8 43.32 11.78
-42 -6 10 4.71 6.43
42 -8 -12 103.25 15.87
42 -8 -10 6.56 4.82
42 -8 -8 319.91 22.51
42 -8 -6 15.38 5.21
42 -8 -4 267.94 17.22
42 -8 -2 12.97 3.98
-42 -8 -2 11.81 5.20
-42 -8 0 617.57 34.05
42 -8 0 537.89 24.11
-42 -8 2 14.08 6.33
-42 -8 4 341.27 27.43
-42 -8 6 5.40 7.23
-42 -8 8 374.18 33.28
-42 -8 10 -5.43 7.47
42 -10 -10 4.27 4.67
42 -10 -8 90.27 12.01
42 -10 -6 18.50 5.36
42 -10 -4 51.60 7.64
42 -10 -2 29.36 5.88
-42 -10 -2 22.07 7.87
-42 -10 0 107.66 14.44
42 -10 0 98.18 9.70
-42 -10 2 33.62 8.99
-42 -10 4 55.35 12.10
-42 -10 6 7.87 7.08
-42 -10 8 86.62 16.12
-42 -10 10 21.34 10.17
42 -12 -10 15.01 7.32
42 -12 -8 195.83 17.96
42 -12 -6 7.70 4.17
42 -12 -4 107.69 11.33
42 -12 -2 22.84 5.39
-42 -12 -2 35.41 8.67
-42 -12 0 260.89 23.36
42 -12 0 267.59 16.91
-42 -12 2 26.39 8.43
-42 -12 4 131.33 18.01
-42 -12 6 13.32 7.74
-42 -12 8 213.18 26.23
42 -14 -8 7.25 5.27
42 -14 -6 188.96 16.48
42 -14 -4 20.85 5.56
-42 -14 -2 342.89 26.58
42 -14 -2 281.02 18.51
-42 -14 0 60.93 12.26
42 -14 0 55.12 7.87
-42 -14 2 319.63 27.45
-42 -14 4 44.75 11.93
-42 -14 6 255.95 27.51
42 -16 -8 46.25 9.63
42 -16 -6 35.04 7.49
42 -16 -4 4.18 3.01
-42 -16 -4 13.89 6.05
42 -16 -2 45.04 7.86
-42 -16 -2 55.58 12.11
-42 -16 0 70.32 13.30
42 -16 0 63.90 8.81
-42 -16 2 40.44 11.33
-42 -16 4 0.56 6.06
-42 -16 6 54.43 14.29
42 -18 -6 219.82 18.71
-42 -18 -4 25.38 8.90
42 -18 -4 30.44 6.81
-42 -18 -2 303.70 26.52
42 -18 -2 308.23 20.47
-42 -18 0 30.85 9.55
42 -18 0 20.60 5.83
-42 -18 2 368.69 31.71
-42 -18 4 42.64 12.85
42 -20 -2 47.55 8.40
42 -20 0 5.69 3.97
-43 1 -1 86.81 10.34
-43 -1 -1 66.78 9.99
-43 -1 1 58.64 9.47
-43 1 1 50.24 8.32
-43 -1 3 97.32 12.43
-43 1 3 94.47 11.95
-43 -1 5 67.13 11.21
-43 1 5 65.49 11.02
-43 -1 7 73.55 13.21
-43 1 7 72.89 12.22
-43 1 9 35.64 11.31
-43 -1 9 52.91 12.59
-43 1 11 34.63 12.29
-43 -1 11 15.66 10.24
43 -3 -5 89.43 10.12
43 -3 -3 158.13 12.01
43 -3 -1 57.02 6.95
-43 -3 -1 69.48 10.50
43 -3 1 74.11 7.43
-43 -3 1 78.38 11.46
-43 3 1 78.68 9.72
-43 -3 3 126.23 15.15
-43 3 3 125.89 13.00
-43 -3 5 101.72 14.60
-43 3 5 100.66 12.52
-43 -3 7 106.36 16.39
-43 -3 9 98.44 17.39
-43 -3 11 65.76 16.10
43 -5 -7 99.83 11.72
43 -5 -5 105.18 10.80
43 -5 -3 53.17 7.36
43 -5 -1 170.33 12.25
-43 -5 -1 177.97 17.04
43 -5 1 152.61 11.26
-43 -5 1 158.83 16.27
-43 -5 3 64.60 11.33
-43 -5 5 142.29 17.58
-43 -5 7 140.25 18.93
-43 -5 9 80.52 16.03
-43 -5 11 38.45 14.26
43 -7 -11 43.15 10.64
43 -7 -9 54.65 10.44
43 -7 -7 45.82 8.22
43 -7 -5 64.43 8.55
43 -7 -3 72.91 8.78
-43 -7 -3 83.07 11.45
-43 -7 -1 67.18 10.89
43 -7 -1 62.43 7.61
43 -7 1 89.48 8.95
-43 -7 1 93.71 12.94
-43 -7 3 73.90 12.42
-43 -7 5 83.87 13.89
-43 -7 7 33.02 11.15
-43 -7 9 56.01 14.87
43 -9 -11 40.64 10.81
43 -9 -9 75.94 12.01
43 -9 -7 181.09 16.18
43 -9 -5 26.10 5.99
43 -9 -3 45.51 7.01
-43 -9 -3 47.48 9.38
43 -9 -1 100.96 10.34
-43 -9 -1 127.08 15.52
43 -9 1 98.64 9.65
-43 -9 1 98.15 14.01
-43 -9 3 29.84 9.02
-43 -9 5 29.98 9.52
-43 -9 7 183.66 22.46
-43 -9 9 63.03 15.47
43 -11 -9 114.67 14.53
43 -11 -7 86.61 11.76
43 -11 -5 125.68 12.78
-43 -11 -3 136.49 15.80
43 -11 -3 119.15 11.60
43 -11 -1 137.08 12.19
-43 -11 -1 176.27 18.48
43 -11 1 165.57 13.04
-43 -11 1 177.29 19.09
-43 -11 3 106.88 15.84
-43 -11 5 160.33 20.34
-43 -11 7 103.10 18.16
-43 -11 9 156.40 23.67
43 -13 -9 36.62 9.20
43 -13 -7 75.23 11.00
43 -13 -5 48.05 8.34
43 -13 -3 132.28 12.56
-43 -13 -3 114.61 15.16
43 -13 -1 129.98 11.99
-43 -13 -1 142.04 17.48
43 -13 1 155.75 13.06
-43 -13 1 150.96 18.81
-43 -13 3 153.42 19.28
-43 -13 5 61.74 13.24
-43 -13 7 64.65 14.32
43 -15 -7 90.59 12.37
43 -15 -5 57.08 9.00
-43 -15 -3 98.32 14.42
43 -15 -3 77.34 10.05
43 -15 -1 158.08 13.91
-43 -15 -1 175.27 19.62
43 -15 1 157.06 13.50
-43 -15 1 152.29 19.09
-43 -15 3 80.41 14.80
-43 -15 5 124.85 18.49
43 -17 -5 75.35 10.84
-43 -17 -3 22.07 8.24
43 -17 -3 23.41 6.06
-43 -17 -1 54.57 12.76
43 -17 -1 47.55 8.28
43 -17 1 49.54 8.19
-43 -17 1 50.83 12.06
-43 -17 3 30.40 10.59
43 -19 -3 86.60 11.12
43 -19 -1 70.01 9.96
43 -19 1 59.61 9.06
-44 0 0 238.72 18.15
-44 0 2 -0.41 2.87
-44 0 4 270.55 21.59
-44 0 6 7.16 5.40
-44 0 8 311.61 27.29
-44 0 10 2.63 7.32
-44 -2 0 70.41 10.20
-44 2 0 73.48 9.76
-44 -2 2 81.11 11.93
-44 2 2 93.90 11.60
-44 2 4 26.64 7.05
-44 -2 4 20.22 7.48
-44 -2 6 23.30 8.35
-44 -2 8 52.49 11.92
-44 -2 10 11.71 7.98
44 -4 -2 34.14 5.69
-44 -4 -2 34.79 7.81
44 -4 0 133.23 10.65
-44 -4 0 144.53 15.40
-44 -4 2 46.34 9.48
44 -4 2 41.28 5.82
-44 -4 4 78.98 12.28
-44 -4 6 45.92 10.94
-44 -4 8 67.03 13.72
-44 -4 10 41.02 12.79
44 -6 -6 147.18 13.86
44 -6 -4 19.25 5.09
44 -6 -2 159.33 12.60
-44 -6 -2 194.54 17.69
44 -6 0 16.41 4.25
-44 -6 0 21.05 6.56
44 -6 2 129.13 10.64
-44 -6 2 132.52 15.85
-44 -6 4 8.47 5.88
-44 -6 6 173.28 20.44
-44 -6 8 42.65 12.54
-44 -6 10 203.47 26.05
44 -8 -10 41.40 9.85
44 -8 -8 8.45 4.56
44 -8 -6 81.29 10.76
44 -8 -4 4.49 3.12
-44 -8 -2 137.71 15.46
44 -8 -2 106.10 10.37
-44 -8 0 15.55 6.69
44 -8 0 19.57 4.60
-44 -8 2 130.76 16.06
-44 -8 4 -6.83 6.43
-44 -8 6 122.61 17.56
-44 -8 8 18.66 9.51
44 -10 -10 102.85 15.28
44 -10 -8 6.49 5.70
44 -10 -6 201.83 16.93
44 -10 -4 10.83 3.99
-44 -10 -2 339.51 25.18
44 -10 -2 295.09 18.49
-44 -10 0 8.69 6.54
44 -10 0 21.46 4.89
-44 -10 2 340.82 27.41
-44 -10 4 15.64 7.18
-44 -10 6 244.28 26.10
-44 -10 8 13.11 9.20
44 -12 -8 102.20 13.53
44 -12 -6 57.50 9.25
44 -12 -4 107.93 11.56
44 -12 -2 57.58 8.15
-44 -12 -2 76.79 12.49
-44 -12 0 35.48 9.25
44 -12 0 55.38 8.20
-44 -12 2 63.81 12.69
-44 -12 4 114.13 16.95
-44 -12 6 58.55 13.56
44 -14 -8 72.96 11.49
44 -14 -6 69.05 10.37
44 -14 -4 28.53 6.78
44 -14 -2 51.25 8.24
-44 -14 -2 47.45 11.45
-44 -14 0 96.02 15.12
44 -14 0 78.49 10.01
-44 -14 2 44.95 11.32
-44 -14 4 31.68 9.50
44 -16 -6 21.40 6.68
44 -16 -4 240.35 18.66
44 -16 -2 38.28 7.56
-44 -16 -2 52.40 11.56
-44 -16 0 529.81 36.16
44 -16 0 534.79 27.04
-44 -16 2 55.55 12.78
44 -18 -2 6.88 4.93
44 -18 0 106.83 12.06
-45 -1 -1 25.94 6.67
-45 -1 1 31.48 7.24
-45 1 1 33.84 7.18
-45 -1 3 5.52 5.26
-45 1 3 12.89 5.91
-45 -1 5 58.56 10.93
-45 -1 7 56.98 12.11
-45 -1 9 32.42 10.92
-45 -3 -1 253.08 20.09
-45 -3 1 264.40 21.00
-45 -3 3 145.63 16.57
-45 -3 5 134.78 16.90
-45 -3 7 205.78 22.10
-45 -3 9 85.16 16.02
-45 -5 -1 19.65 6.47
-45 -5 1 29.76 8.21
-45 -5 3 16.60 6.75
-45 -5 5 33.41 9.70
-45 -5 7 31.85 10.27
-45 -5 9 12.16 8.19
45 -7 -5 86.02 10.92
45 -7 -3 82.96 9.51
45 -7 -1 91.11 9.54
-45 -7 -1 101.05 13.45
45 -7 1 87.25 9.14
-45 -7 1 78.18 12.50
-45 -7 3 78.10 13.32
-45 -7 5 100.82 15.62
-45 -7 7 80.65 15.59
-45 -7 9 110.08 19.23
45 -9 -9 73.24 12.06
45 -9 -7 97.25 12.65
45 -9 -5 68.89 9.83
45 -9 -3 140.93 12.88
-45 -9 -3 138.20 15.85
-45 -9 -1 87.25 13.60
45 -9 -1 77.94 9.21
45 -9 1 88.86 9.46
-45 -9 1 87.12 13.50
-45 -9 3 110.87 15.63
-45 -9 5 94.84 15.96
-45 -9 7 82.91 16.15
45 -11 -9 7.42 5.37
45 -11 -7 27.30 7.32
45 -11 -5 40.25 7.94
-45 -11 -3 16.04 6.45
45 -11 -3 17.75 5.17
-45 -11 -1 86.46 13.45
45 -11 -1 74.47 9.12
45 -11 1 81.74 9.51
-45 -11 1 90.32 13.90
-45 -11 3 11.50 6.79
-45 -11 5 48.26 12.54
-45 -11 7 41.24 12.48
45 -13 -7 129.42 14.84
45 -13 -5 160.68 15.05
-45 -13 -3 280.43 23.73
45 -13 -3 201.74 16.21
45 -13 -1 173.91 14.77
-45 -13 -1 186.85 20.14
-45 -13 1 202.38 21.64
45 -13 1 168.79 13.80
-45 -13 3 275.30 26.38
-45 -13 5 181.01 22.89
45 -15 -5 31.03 7.39
45 -15 -3 7.71 4.53
-45 -15 -3 10.70 6.20
-45 -15 -1 74.33 13.77
45 -15 -1 63.64 9.24
45 -15 1 64.30 9.08
-45 -15 1 59.10 12.90
-45 -15 3 11.70 7.91
45 -17 -3 99.47 11.99
45 -17 -1 78.19 10.55
45 -17 1 90.16 11.02
-46 -2 0 80.18 11.58
-46 -2 2 11.17 5.72
-46 -2 4 49.69 9.83
-46 -2 6 13.30 7.50
-46 -2 8 68.14 14.26
-46 -4 0 8.53 5.94
-46 -4 2 121.74 14.89
-46 -4 4 1.18 4.36
-46 -4 6 126.65 17.28
-46 -4 8 18.82 9.01
-46 -6 -2 10.06 5.63
-46 -6 0 391.32 27.12
-46 -6 2 16.41 7.46
-46 -6 4 291.93 25.47
-46 -6 6 22.74 8.79
-46 -6 8 230.70 26.40
46 -8 -4 6.73 3.52
-46 -8 -2 8.30 5.61
46 -8 -2 4.60 3.13
46 -8 0 27.43 6.04
-46 -8 0 39.28 9.52
46 -8 2 4.64 3.11
-46 -8 2 5.55 5.90
-46 -8 4 7.03 4.82
-46 -8 6 11.85 8.61
-46 -8 8 14.88 9.93
46 -10 -6 2.01 3.52
46 -10 -4 216.10 16.66
-46 -10 -2 4.13 4.15
46 -10 -2 6.77 3.41
46 -10 0 416.60 22.26
-46 -10 0 482.66 32.12
46 -10 2 5.40 3.60
-46 -10 2 15.83 7.92
-46 -10 4 242.62 24.43
-46 -10 6 13.06 8.67
46 -12 -6 65.88 10.37
46 -12 -4 5.12 3.66
-46 -12 -2 151.10 17.51
46 -12 -2 163.69 14.13
46 -12 0 4.66 3.41
-46 -12 0 -0.97 4.29
46 -12 2 167.05 13.90
-46 -12 2 183.41 20.68
-46 -12 4 -2.05 5.59
46 -14 -6 15.92 5.95
46 -14 -4 77.69 10.57
-46 -14 -2 26.49 9.03
46 -14 -2 11.52 4.74
46 -14 0 143.70 13.29
-46 -14 0 156.50 19.46
46 -14 2 14.48 4.70
-46 -14 2 13.59 8.07
46 -16 -2 216.01 17.60
46 -16 0 18.39 5.43
46 -16 2 224.17 17.16
-47 -3 -1 157.79 15.98
-47 -3 1 123.96 14.92
-47 -3 3 157.08 17.49
-47 -3 5 166.05 19.00
-47 -3 7 105.88 16.46
-47 -5 -1 9.24 5.01
-47 -5 1 15.56 6.30
-47 -5 3 5.20 5.76
-47 -5 5 13.49 7.97
-47 -5 7 11.71 9.05
-47 -7 -1 86.23 12.88
-47 -7 1 106.89 14.77
-47 -7 3 93.44 14.58
-47 -7 5 54.56 11.90
-47 -7 7 99.80 17.48
47 -9 -1 103.39 10.81
-47 -9 -1 129.64 16.08
-47 -9 1 139.44 17.64
47 -9 1 114.33 11.02
-47 -9 3 64.25 12.52
-47 -9 5 46.41 12.29
47 -11 -5 42.66 8.55
47 -11 -3 17.28 5.60
47 -11 -1 55.45 8.47
-47 -11 -1 76.26 13.80
-47 -11 1 54.44 12.27
47 -11 1 51.60 7.62
-47 -11 3 40.85 11.14
-47 -11 5 34.35 10.71
47 -13 -5 70.81 10.47
47 -13 -3 132.28 13.45
-47 -13 -1 156.02 19.45
47 -13 -1 162.53 14.53
-47 -13 1 182.45 21.17
47 -13 1 195.61 15.39
47 -15 -3 37.71 7.82
47 -15 -1 10.43 4.71
47 -15 1 25.21 6.25
-48 -4 0 115.86 14.39
-48 -4 2 45.66 9.84
-48 -4 4 98.23 14.76
-48 -4 6 65.80 13.12
-48 -6 0 6.53 5.84
-48 -6 2 181.55 19.55
-48 -6 4 7.72 6.22
-48 -6 6 115.87 17.33
-48 -8 -2 57.94 10.73
-48 -8 0 26.67 8.52
-48 -8 2 62.27 12.71
-48 -8 4 5.32 6.26
-48 -8 6 58.14 13.58
-48 -10 -2 201.82 20.67
-48 -10 0 -3.22 4.08
-48 -10 2 195.62 21.33
-48 -10 4 -2.53 6.29
48 -12 -4 22.78 6.85
48 -12 -2 62.05 9.20
-48 -12 -2 56.54 11.82
-48 -12 0 88.98 14.87
48 -12 0 59.83 9.12
48 -12 2 57.23 8.51
48 -14 -2 72.05 10.20
48 -14 0 72.25 9.98
48 -14 2 71.37 9.71
-49 -5 -1 42.64 9.77
-49 -5 1 35.93 9.62
-49 -5 3 48.34 11.40
-49 -5 5 63.00 13.29
-49 -7 -1 85.79 13.21
-49 -7 1 96.92 14.33
-49 -7 3 70.74 13.18
-49 -7 5 80.79 14.91
-49 -9 -1 44.03 10.42
-49 -9 1 49.50 11.32
-49 -9 3 68.45 14.16
-50 -6 0 52.79 11.12
-50 -6 2 35.47 9.34
-50 -8 0 175.76 19.78
-50 -8 2 8.32 6.53
0 0 0 0.00 0.00
TITL TBA2 WS4 in Fdd2
REM Fdd2 (#43, found as F2dd in -cba setting)
CELL 0.71073 35.558248 28.721640 15.565803 90.0000 90.0000 90.0000
ZERR 23.00 0.000623 0.000507 0.000373 0.0000 0.0000 0.0000
LATT -4
SYMM -x,-y, z
SYMM x+1/4,-y+1/4, z+1/4
SYMM -x+1/4, y+1/4, z+1/4
SFAC C H N S W
UNIT 736.00 1656.00 46.00 92.00 23.00
TREF
HKLF 4
END
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 60437
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.851
_oxdiff_exptl_absorpt_empirical_full_min 0.327
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
W1 W 0.70642(2) 0.40360(2) 0.65155(3) 0.01593(10) Uani 1 1 d . . . . .
S1 S 0.70260(7) 0.47833(8) 0.68158(17) 0.0215(5) Uani 1 1 d . . . . .
S2 S 0.73209(6) 0.39367(8) 0.52492(16) 0.0195(4) Uani 1 1 d . . . . .
S4 S 0.74117(8) 0.36808(8) 0.74775(18) 0.0291(6) Uani 1 1 d . . . . .
S3 S 0.65054(7) 0.37226(11) 0.6487(3) 0.0392(7) Uani 1 1 d . . . . .
N1 N 0.70538(19) 0.5328(2) 0.4141(5) 0.0159(15) Uani 1 1 d . . . . .
C25 C 0.7402(2) 0.5106(3) 0.4551(6) 0.0182(17) Uani 1 1 d . . . . .
H25A H 0.737547 0.512258 0.518358 0.022 Uiso 1 1 calc R U . . .
H25B H 0.740809 0.477208 0.439079 0.022 Uiso 1 1 calc R U . . .
C23 C 0.6013(3) 0.5031(4) 0.4644(7) 0.026(2) Uani 1 1 d . . . . .
H23A H 0.602488 0.509929 0.526696 0.031 Uiso 1 1 calc R U . . .
H23B H 0.603747 0.469047 0.456835 0.031 Uiso 1 1 calc R U . . .
N2 N 0.67395(19) 0.2196(2) 0.5528(6) 0.0185(15) Uani 1 1 d . . . . .
C2 C 0.6720(3) 0.1376(3) 0.6174(8) 0.032(2) Uani 1 1 d . . . . .
H2A H 0.684762 0.149298 0.669705 0.039 Uiso 1 1 calc R U . . .
H2B H 0.691380 0.124857 0.578153 0.039 Uiso 1 1 calc R U . . .
C29 C 0.7056(2) 0.5849(3) 0.4257(7) 0.0185(18) Uani 1 1 d . . . . .
H29A H 0.683322 0.598036 0.396239 0.022 Uiso 1 1 calc R U . . .
H29B H 0.728231 0.597688 0.397092 0.022 Uiso 1 1 calc R U . . .
C26 C 0.7773(2) 0.5324(3) 0.4302(7) 0.0222(19) Uani 1 1 d . . . . .
H26A H 0.779814 0.563229 0.458145 0.027 Uiso 1 1 calc R U . . .
H26B H 0.778141 0.537113 0.367188 0.027 Uiso 1 1 calc R U . . .
C17 C 0.7054(2) 0.5239(3) 0.3173(6) 0.0178(17) Uani 1 1 d . . . . .
H17A H 0.684074 0.541235 0.291616 0.021 Uiso 1 1 calc R U . . .
H17B H 0.728818 0.536973 0.292900 0.021 Uiso 1 1 calc R U . . .
C3 C 0.6436(3) 0.0992(3) 0.6416(10) 0.034(3) Uani 1 1 d . . . . .
H3A H 0.627694 0.092410 0.590909 0.040 Uiso 1 1 calc R U . . .
H3B H 0.657576 0.070479 0.656104 0.040 Uiso 1 1 calc R U . . .
C9 C 0.6467(2) 0.2544(3) 0.5140(7) 0.0191(18) Uani 1 1 d . . . . .
H9A H 0.630707 0.266751 0.560820 0.023 Uiso 1 1 calc R U . . .
H9B H 0.629934 0.237369 0.473946 0.023 Uiso 1 1 calc R U . . .
C1 C 0.6507(2) 0.1768(3) 0.5737(7) 0.0198(18) Uani 1 1 d . . . . .
H1A H 0.639753 0.164748 0.519702 0.024 Uiso 1 1 calc R U . . .
H1B H 0.629663 0.186342 0.611368 0.024 Uiso 1 1 calc R U . . .
C12 C 0.6454(3) 0.3677(4) 0.3826(8) 0.033(3) Uani 1 1 d . . . . .
H12A H 0.660865 0.356556 0.334736 0.049 Uiso 1 1 calc R U . . .
H12B H 0.660502 0.387701 0.419981 0.049 Uiso 1 1 calc R U . . .
H12C H 0.624003 0.385450 0.359971 0.049 Uiso 1 1 calc R U . . .
C18 C 0.7024(3) 0.4735(3) 0.2900(7) 0.030(2) Uani 1 1 d . . . . .
H18A H 0.681119 0.458458 0.320322 0.036 Uiso 1 1 calc R U . . .
H18B H 0.725739 0.456741 0.305646 0.036 Uiso 1 1 calc R U . . .
C13 C 0.6933(3) 0.2398(3) 0.6327(7) 0.025(2) Uani 1 1 d . . . . .
H13A H 0.714935 0.219553 0.647317 0.030 Uiso 1 1 calc R U . . .
H13B H 0.703470 0.270808 0.617764 0.030 Uiso 1 1 calc R U . . .
C21 C 0.6714(3) 0.5107(3) 0.4566(7) 0.0203(18) Uani 1 1 d . . . . .
H21A H 0.671995 0.517901 0.518785 0.024 Uiso 1 1 calc R U . . .
H21B H 0.673128 0.476508 0.450220 0.024 Uiso 1 1 calc R U . . .
C10 C 0.6634(3) 0.2955(3) 0.4659(7) 0.0201(18) Uani 1 1 d . . . . .
H10A H 0.678562 0.284321 0.416589 0.024 Uiso 1 1 calc R U . . .
H10B H 0.680031 0.313602 0.504438 0.024 Uiso 1 1 calc R U . . .
C19 C 0.6963(3) 0.4706(3) 0.1939(6) 0.0232(19) Uani 1 1 d . . . . .
H19A H 0.717891 0.485161 0.164292 0.028 Uiso 1 1 calc R U . . .
H19B H 0.673437 0.488549 0.178742 0.028 Uiso 1 1 calc R U . . .
C22 C 0.6336(3) 0.5270(3) 0.4199(7) 0.027(2) Uani 1 1 d . . . . .
H22A H 0.631293 0.561139 0.427193 0.033 Uiso 1 1 calc R U . . .
H22B H 0.632711 0.520071 0.357594 0.033 Uiso 1 1 calc R U . . .
C6 C 0.6934(3) 0.1828(3) 0.4104(8) 0.026(2) Uani 1 1 d . . . . .
H6A H 0.672368 0.199973 0.383228 0.031 Uiso 1 1 calc R U . . .
H6B H 0.684506 0.151000 0.424190 0.031 Uiso 1 1 calc R U . . .
C20 C 0.6918(4) 0.4206(5) 0.1617(10) 0.047(2) Uani 1 1 d . . . . .
H20A H 0.691180 0.420451 0.098732 0.071 Uiso 1 1 calc R U . . .
H20B H 0.668224 0.407492 0.183869 0.071 Uiso 1 1 calc R U . . .
H20C H 0.712979 0.401722 0.181774 0.071 Uiso 1 1 calc R U . . .
C32 C 0.7464(4) 0.6731(4) 0.4964(10) 0.042(3) Uani 1 1 d . . . . .
H32A H 0.750833 0.666685 0.435438 0.063 Uiso 1 1 calc R U . . .
H32B H 0.765741 0.657684 0.531012 0.063 Uiso 1 1 calc R U . . .
H32C H 0.747407 0.706788 0.506383 0.063 Uiso 1 1 calc R U . . .
C31 C 0.7082(3) 0.6550(4) 0.5217(9) 0.035(3) Uani 1 1 d . . . . .
H31A H 0.689060 0.668497 0.482791 0.042 Uiso 1 1 calc R U . . .
H31B H 0.702395 0.665556 0.580763 0.042 Uiso 1 1 calc R U . . .
C11 C 0.6309(3) 0.3262(3) 0.4339(7) 0.0222(18) Uani 1 1 d . . . . .
H11A H 0.613900 0.307353 0.397278 0.027 Uiso 1 1 calc R U . . .
H11B H 0.616177 0.337507 0.483688 0.027 Uiso 1 1 calc R U . . .
C5 C 0.7052(2) 0.2073(4) 0.4920(8) 0.025(2) Uani 1 1 d . . . . .
H5A H 0.723341 0.187205 0.522721 0.030 Uiso 1 1 calc R U . . .
H5B H 0.718520 0.236333 0.476077 0.030 Uiso 1 1 calc R U . . .
C24 C 0.5635(3) 0.5190(4) 0.4293(10) 0.040(3) Uani 1 1 d . . . . .
H24A H 0.561394 0.510012 0.368718 0.061 Uiso 1 1 calc R U . . .
H24B H 0.561430 0.552894 0.434363 0.061 Uiso 1 1 calc R U . . .
H24C H 0.543209 0.504224 0.462154 0.061 Uiso 1 1 calc R U . . .
C7 C 0.7267(3) 0.1801(4) 0.3478(8) 0.033(3) Uani 1 1 d . . . . .
H7A H 0.733597 0.211988 0.329522 0.040 Uiso 1 1 calc R U . . .
H7B H 0.748634 0.166543 0.378020 0.040 Uiso 1 1 calc R U . . .
C14 C 0.6692(3) 0.2449(4) 0.7118(8) 0.032(2) Uani 1 1 d . . . . .
H14A H 0.653621 0.216555 0.719202 0.039 Uiso 1 1 calc R U . . .
H14B H 0.652014 0.271738 0.704500 0.039 Uiso 1 1 calc R U . . .
C28 C 0.8127(3) 0.4561(3) 0.4064(9) 0.028(2) Uani 1 1 d . . . . .
H28A H 0.810069 0.463027 0.345033 0.042 Uiso 1 1 calc R U . . .
H28B H 0.792701 0.434758 0.424248 0.042 Uiso 1 1 calc R U . . .
H28C H 0.837250 0.441555 0.416760 0.042 Uiso 1 1 calc R U . . .
C30 C 0.7054(3) 0.6014(3) 0.5182(8) 0.026(2) Uani 1 1 d . . . . .
H30A H 0.726822 0.587393 0.549474 0.032 Uiso 1 1 calc R U . . .
H30B H 0.681846 0.591104 0.546588 0.032 Uiso 1 1 calc R U . . .
C8 C 0.7182(4) 0.1512(4) 0.2694(9) 0.041(3) Uani 1 1 d . . . . .
H8A H 0.738924 0.154174 0.228170 0.062 Uiso 1 1 calc R U . . .
H8B H 0.694861 0.162205 0.242957 0.062 Uiso 1 1 calc R U . . .
H8C H 0.715427 0.118516 0.286135 0.062 Uiso 1 1 calc R U . . .
C15 C 0.6932(4) 0.2521(5) 0.7910(9) 0.042(3) Uani 1 1 d . . . . .
H15A H 0.713090 0.228003 0.792709 0.051 Uiso 1 1 calc R U . . .
H15B H 0.705698 0.282896 0.787270 0.051 Uiso 1 1 calc R U . . .
C4 C 0.6183(4) 0.1120(5) 0.7167(11) 0.048(4) Uani 1 1 d . . . . .
H4A H 0.600585 0.136256 0.698714 0.072 Uiso 1 1 calc R U . . .
H4B H 0.633744 0.123675 0.764238 0.072 Uiso 1 1 calc R U . . .
H4C H 0.604384 0.084430 0.735458 0.072 Uiso 1 1 calc R U . . .
C27 C 0.8099(3) 0.5010(4) 0.4577(8) 0.028(2) Uani 1 1 d . . . . .
H27A H 0.833762 0.518499 0.451554 0.033 Uiso 1 1 calc R U . . .
H27B H 0.806858 0.493172 0.519276 0.033 Uiso 1 1 calc R U . . .
C16 C 0.6707(4) 0.2498(5) 0.8722(8) 0.047(2) Uani 1 1 d . . . . .
H16A H 0.649624 0.271802 0.868683 0.071 Uiso 1 1 calc R U . . .
H16B H 0.686703 0.258033 0.921122 0.071 Uiso 1 1 calc R U . . .
H16C H 0.660914 0.218209 0.879897 0.071 Uiso 1 1 calc R U . . .
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
W1 0.01746(15) 0.01706(14) 0.01326(17) -0.00193(14) 0.00022(14) -0.00240(12)
S1 0.0275(10) 0.0194(10) 0.0176(11) -0.0019(8) -0.0010(9) 0.0059(8)
S2 0.0210(9) 0.0198(9) 0.0177(12) -0.0015(8) 0.0026(9) 0.0020(8)
S4 0.0477(14) 0.0198(10) 0.0197(13) 0.0035(9) -0.0090(11) 0.0024(10)
S3 0.0260(11) 0.0532(15) 0.0383(17) -0.0248(16) 0.0117(14) -0.0170(11)
N1 0.024(3) 0.015(3) 0.009(4) -0.001(3) 0.001(3) 0.000(2)
C25 0.020(4) 0.019(4) 0.016(5) -0.005(3) 0.002(3) 0.003(3)
C23 0.025(4) 0.029(5) 0.023(6) 0.005(4) 0.004(4) -0.001(4)
N2 0.015(3) 0.020(3) 0.021(4) 0.004(3) -0.004(3) 0.001(3)
C2 0.030(5) 0.023(4) 0.044(7) 0.009(4) 0.002(5) 0.003(4)
C29 0.023(4) 0.014(3) 0.018(5) -0.001(3) 0.004(3) 0.000(3)
C26 0.019(4) 0.024(4) 0.024(5) -0.002(4) -0.002(3) -0.001(3)
C17 0.023(4) 0.020(4) 0.010(4) 0.003(3) 0.000(3) -0.001(3)
C3 0.043(5) 0.024(4) 0.034(8) 0.008(5) 0.013(6) -0.001(4)
C9 0.017(4) 0.021(4) 0.019(5) 0.003(3) -0.002(3) 0.002(3)
C1 0.017(4) 0.018(4) 0.025(5) 0.002(3) 0.003(3) 0.000(3)
C12 0.038(5) 0.024(4) 0.036(8) 0.010(4) -0.013(5) -0.003(4)
C18 0.057(7) 0.019(4) 0.013(5) -0.003(4) 0.002(5) 0.005(4)
C13 0.026(4) 0.028(4) 0.022(6) 0.002(4) -0.009(4) -0.004(4)
C21 0.021(4) 0.021(4) 0.018(5) 0.001(3) 0.000(3) -0.002(3)
C10 0.023(4) 0.017(4) 0.021(5) 0.001(3) 0.000(4) 0.001(3)
C19 0.033(5) 0.027(4) 0.010(5) -0.004(4) -0.002(4) -0.005(4)
C22 0.023(4) 0.034(5) 0.025(7) 0.011(4) 0.003(4) -0.004(4)
C6 0.027(4) 0.022(4) 0.029(6) 0.002(4) 0.004(4) 0.005(3)
C20 0.069(6) 0.048(5) 0.025(5) -0.003(4) -0.010(5) 0.016(5)
C32 0.053(7) 0.028(5) 0.044(8) -0.010(5) 0.003(6) -0.009(5)
C31 0.047(7) 0.022(5) 0.035(7) -0.007(5) 0.000(5) 0.009(4)
C11 0.029(4) 0.023(4) 0.015(5) 0.001(4) -0.003(4) -0.003(4)
C5 0.014(4) 0.026(4) 0.034(6) 0.008(4) 0.001(4) -0.001(3)
C24 0.024(5) 0.039(6) 0.059(10) 0.009(6) 0.005(5) -0.004(4)
C7 0.027(5) 0.038(5) 0.035(7) 0.013(5) 0.009(5) 0.010(5)
C14 0.032(5) 0.041(6) 0.023(6) -0.005(5) -0.010(4) 0.006(5)
C28 0.026(4) 0.028(4) 0.031(6) -0.001(5) 0.008(5) 0.007(3)
C30 0.036(6) 0.023(4) 0.020(6) -0.002(4) 0.005(4) 0.004(4)
C8 0.050(7) 0.040(6) 0.034(8) 0.005(5) 0.015(6) 0.023(6)
C15 0.041(6) 0.051(7) 0.035(8) -0.006(6) -0.009(6) -0.023(6)
C4 0.059(8) 0.031(5) 0.055(10) 0.008(6) 0.014(7) -0.007(6)
C27 0.023(4) 0.037(5) 0.023(6) -0.004(4) -0.003(4) 0.004(4)
C16 0.069(6) 0.048(5) 0.025(5) -0.003(4) -0.010(5) 0.016(5)
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
S2 W1 S1 110.11(9) . . ?
S2 W1 S4 108.60(10) . . ?
S4 W1 S1 110.08(10) . . ?
S3 W1 S1 110.52(10) . . ?
S3 W1 S2 107.92(11) . . ?
S3 W1 S4 109.56(13) . . ?
C29 N1 C25 111.1(7) . . ?
C29 N1 C17 106.5(7) . . ?
C29 N1 C21 111.5(7) . . ?
C17 N1 C25 109.9(7) . . ?
C21 N1 C25 106.7(7) . . ?
C21 N1 C17 111.1(7) . . ?
N1 C25 H25A 108.5 . . ?
N1 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 N1 115.1(8) . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
H23A C23 H23B 107.9 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
C22 C23 C24 111.9(9) . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C9 N2 C13 111.1(7) . . ?
C1 N2 C9 105.7(6) . . ?
C1 N2 C13 112.0(8) . . ?
C5 N2 C9 112.1(8) . . ?
C5 N2 C1 110.4(7) . . ?
C5 N2 C13 105.5(7) . . ?
H2A C2 H2B 108.4 . . ?
C3 C2 H2A 110.1 . . ?
C3 C2 H2B 110.1 . . ?
C1 C2 H2A 110.1 . . ?
C1 C2 H2B 110.1 . . ?
C1 C2 C3 108.2(9) . . ?
N1 C29 H29A 108.5 . . ?
N1 C29 H29B 108.5 . . ?
N1 C29 C30 115.0(8) . . ?
H29A C29 H29B 107.5 . . ?
C30 C29 H29A 108.5 . . ?
C30 C29 H29B 108.5 . . ?
C25 C26 H26A 109.6 . . ?
C25 C26 H26B 109.6 . . ?
C25 C26 C27 110.1(8) . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 H26A 109.6 . . ?
C27 C26 H26B 109.6 . . ?
N1 C17 H17A 108.3 . . ?
N1 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
C18 C17 N1 115.9(8) . . ?
C18 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
C2 C3 H3A 108.8 . . ?
C2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 C2 113.7(10) . . ?
C4 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
N2 C9 H9A 108.0 . . ?
N2 C9 H9B 108.0 . . ?
N2 C9 C10 117.1(7) . . ?
H9A C9 H9B 107.3 . . ?
C10 C9 H9A 108.0 . . ?
C10 C9 H9B 108.0 . . ?
N2 C1 C2 115.3(7) . . ?
N2 C1 H1A 108.5 . . ?
N2 C1 H1B 108.5 . . ?
C2 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
C17 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
C17 C18 C19 109.9(8) . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
N2 C13 H13A 108.2 . . ?
N2 C13 H13B 108.2 . . ?
H13A C13 H13B 107.4 . . ?
C14 C13 N2 116.3(8) . . ?
C14 C13 H13A 108.2 . . ?
C14 C13 H13B 108.2 . . ?
N1 C21 H21A 108.7 . . ?
N1 C21 H21B 108.7 . . ?
N1 C21 C22 114.1(8) . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C9 C10 H10A 110.1 . . ?
C9 C10 H10B 110.1 . . ?
C9 C10 C11 108.0(7) . . ?
H10A C10 H10B 108.4 . . ?
C11 C10 H10A 110.1 . . ?
C11 C10 H10B 110.1 . . ?
C18 C19 H19A 109.0 . . ?
C18 C19 H19B 109.0 . . ?
C18 C19 C20 113.0(9) . . ?
H19A C19 H19B 107.8 . . ?
C20 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
C23 C22 C21 110.9(8) . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 108.0 . . ?
H6A C6 H6B 108.2 . . ?
C5 C6 H6A 109.7 . . ?
C5 C6 H6B 109.7 . . ?
C5 C6 C7 110.0(9) . . ?
C7 C6 H6A 109.7 . . ?
C7 C6 H6B 109.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
C32 C31 H31A 108.9 . . ?
C32 C31 H31B 108.9 . . ?
C32 C31 C30 113.2(9) . . ?
H31A C31 H31B 107.7 . . ?
C30 C31 H31A 108.9 . . ?
C30 C31 H31B 108.9 . . ?
C12 C11 C10 111.3(8) . . ?
C12 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C10 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
N2 C5 C6 115.7(7) . . ?
N2 C5 H5A 108.4 . . ?
N2 C5 H5B 108.4 . . ?
C6 C5 H5A 108.4 . . ?
C6 C5 H5B 108.4 . . ?
H5A C5 H5B 107.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C6 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 C6 112.8(10) . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 C15 110.8(10) . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
C29 C30 C31 110.1(10) . . ?
C29 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
C31 C30 H30A 109.6 . . ?
C31 C30 H30B 109.6 . . ?
H30A C30 H30B 108.2 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 C14 112.2(11) . . ?
C16 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C26 C27 H27A 108.8 . . ?
C26 C27 H27B 108.8 . . ?
C28 C27 C26 113.7(9) . . ?
C28 C27 H27A 108.8 . . ?
C28 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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
W1 S1 2.201(2) . ?
W1 S2 2.191(2) . ?
W1 S4 2.193(3) . ?
W1 S3 2.182(2) . ?
N1 C25 1.532(11) . ?
N1 C29 1.508(11) . ?
N1 C17 1.529(12) . ?
N1 C21 1.517(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.514(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C22 1.507(13) . ?
C23 C24 1.523(15) . ?
N2 C9 1.518(11) . ?
N2 C1 1.515(11) . ?
N2 C13 1.536(13) . ?
N2 C5 1.501(13) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.541(14) . ?
C2 C1 1.520(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.515(16) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.530(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.513(13) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.52(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.520(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 C11 1.524(14) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.514(14) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.507(16) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.532(13) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.539(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.530(16) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.512(17) . ?
C6 C7 1.537(15) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C31 1.506(18) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C30 1.545(15) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.51(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.515(16) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C27 1.521(15) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.50(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C25 C26 C27 -167.1(8) . . . . ?
N1 C29 C30 C31 176.4(8) . . . . ?
N1 C17 C18 C19 170.7(8) . . . . ?
N1 C21 C22 C23 179.3(8) . . . . ?
C25 N1 C29 C30 -60.7(9) . . . . ?
C25 N1 C17 C18 63.7(10) . . . . ?
C25 N1 C21 C22 -176.8(8) . . . . ?
C25 C26 C27 C28 69.7(12) . . . . ?
N2 C9 C10 C11 -179.0(8) . . . . ?
N2 C13 C14 C15 164.4(9) . . . . ?
C29 N1 C25 C26 -50.3(10) . . . . ?
C29 N1 C17 C18 -175.8(8) . . . . ?
C29 N1 C21 C22 61.6(10) . . . . ?
C17 N1 C25 C26 67.3(9) . . . . ?
C17 N1 C29 C30 179.5(7) . . . . ?
C17 N1 C21 C22 -57.0(10) . . . . ?
C17 C18 C19 C20 -178.3(10) . . . . ?
C3 C2 C1 N2 174.7(10) . . . . ?
C9 N2 C1 C2 -177.4(9) . . . . ?
C9 N2 C13 C14 71.7(10) . . . . ?
C9 N2 C5 C6 -63.8(10) . . . . ?
C9 C10 C11 C12 -178.4(9) . . . . ?
C1 N2 C9 C10 -164.6(8) . . . . ?
C1 N2 C13 C14 -46.4(11) . . . . ?
C1 N2 C5 C6 53.8(11) . . . . ?
C1 C2 C3 C4 -72.9(15) . . . . ?
C13 N2 C9 C10 73.6(10) . . . . ?
C13 N2 C1 C2 -56.2(11) . . . . ?
C13 N2 C5 C6 175.0(8) . . . . ?
C13 C14 C15 C16 -171.0(11) . . . . ?
C21 N1 C25 C26 -172.1(8) . . . . ?
C21 N1 C29 C30 58.2(10) . . . . ?
C21 N1 C17 C18 -54.2(10) . . . . ?
C32 C31 C30 C29 -71.0(13) . . . . ?
C5 N2 C9 C10 -44.2(11) . . . . ?
C5 N2 C1 C2 61.1(11) . . . . ?
C5 N2 C13 C14 -166.6(9) . . . . ?
C5 C6 C7 C8 173.3(9) . . . . ?
C24 C23 C22 C21 179.7(10) . . . . ?
C7 C6 C5 N2 170.1(8) . . . . ?