#------------------------------------------------------------------------------ #$Date: 2024-09-03 04:57:09 +0300 (Tue, 03 Sep 2024) $ #$Revision: 294338 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/25/2312595.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2312595 loop_ _publ_author_name 'Chatkon, Aungkana' 'Haller, Kenneth J.' 'Haller, Joseph P.' _publ_section_title ; Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV10O285-)]0.4[(HGU+)(V10O286-)]0.6(H2Met2+)2(H3O+)·8H2O. ; _journal_coeditor_code AW5092SUP1 _journal_issue 5 _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_paper_doi 10.1107/S2052520624006929 _journal_volume 80 _journal_year 2024 _chemical_compound_source 'synthesized by authors, see text' _chemical_formula_moiety ; 0.4(C2 H7 N5), 0.4(H V10 O28) 5-, 0.6(C2 H7 N4 O) 1+, 0.6(V10 O28) 6-, 2(C4 H13 N5) 2+, (H3 O) +, 8(H2 O) ; _chemical_formula_sum 'C10 H53 N14.4 O37.6 V10' _chemical_formula_weight 1486.26 _chemical_name_common '[(Bg)(HV10O285-)]0.4/[(HGU+)(HV10O286-)]0.6(H2Met2+)2(H3O+) Octahydrate' _chemical_name_systematic ; imidodicarbonimidic diamide bis(dihydro-3-(diaminomethylidene)-1,1-dimethylguanidine) bis(\m~6~-oxo)-tetrakis(\m~3~-oxo)-tetradecakis(\m~2~-oxo)-octa-oxo- deca-vanadium(V) octahydrate ; _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary isomor _atom_sites_solution_secondary difmap _audit_creation_method 'SHELXL-2016/6 plus hand edits' _audit_update_record ; ; _cell_angle_alpha 90 _cell_angle_beta 111.519(8) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 13.4299(22) _cell_length_b 12.4338(22) _cell_length_c 14.4959(24) _cell_measurement_reflns_used 14535 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 40.717 _cell_measurement_theta_min 3.001 _cell_volume 2251.9(7) _computing_cell_refinement 'APEX-II (Bruker, 2005)' _computing_data_collection 'APEX-II (Bruker, 2005)' _computing_data_reduction 'SAINT V8-34A (Bruker, 2001)' _computing_molecular_graphics 'ORTEP-III (Burnett & Johnson, 1996), ORTEP3 (Farrugia, 2012)' _computing_publication_material ; Chemdraw Ultra V7.0.1, (Evans, 2014), PUBLCIF (Westrip, 2010), PLATON (Spek, 2020), POV-Ray (Persistence of Vision) ; _computing_structure_refinement 'SHELXL 2016/6 (Sheldrick, 2015)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker SMART diffractometer with APEX-II CCD area-detector' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0303 _diffrn_reflns_av_unetI/netI 0.0209 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 110394 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 40.717 _diffrn_reflns_theta_min 3.071 _exptl_absorpt_coefficient_mu 2.101 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Blessing, 1995), SADABS (Sheldrick, 2001)' _exptl_crystal_colour orange _exptl_crystal_density_diffrn 2.192 _exptl_crystal_description 'hexagonal plate' _exptl_crystal_F_000 1489 _exptl_crystal_size_max 0.235 _exptl_crystal_size_mid 0.217 _exptl_crystal_size_min 0.115 _refine_diff_density_max 1.138 _refine_diff_density_min -0.940 _refine_diff_density_rms 0.096 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 414 _refine_ls_number_reflns 14535 _refine_ls_number_restraints 41 _refine_ls_restrained_S_all 1.035 _refine_ls_R_factor_all 0.0378 _refine_ls_R_factor_gt 0.0278 _refine_ls_shift/su_max 0.086 _refine_ls_shift/su_mean 0.008 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0278P)^2^+1.5998P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0676 _refine_ls_wR_factor_ref 0.0723 _reflns_Friedel_coverage 0.000 _reflns_number_gt 12128 _reflns_number_total 14535 _reflns_threshold_expression 'I > 2\s(I)' _publcif_info_exptl_table_max_cols 4 _publcif_info_exptl_table_use_headnotes n _cod_data_source_file aw5092sup1.cif _cod_data_source_block I _cod_original_sg_symbol_H-M 'P 21/c' _cod_database_code 2312595 _shelx_shelxl_version_number 2016/6 _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. ; _shelx_estimated_absorpt_t_min 0.638 _shelx_estimated_absorpt_t_max 0.794 _shelx_res_file ; TITL [(Bg/HGU) (H2Met+2)2 H3O+ HV10O28-5] .8H2O P21/c Z=2 LT_BgHGU_2-postReview.res created by SHELXL-2016/6 at 14:07:12 on 14-Feb-2023 REM dcc23 CELL 0.71073 13.4299 12.4338 14.4959 90.000 111.519 90.000 ZERR 4.000 0.0022 0.0022 0.0024 0.000 0.008 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z REM 2{ [ (Bg)0.4 (H2Met+2)2 (H3O+) (HV10O28-5)0.4 ] REM [ (HGU+)0.6 (H2Met+2)2 (H3O+) (V10O28-6)0.6 ] 8H2O } REM 2{ [ (C2H7N5)0.4 (C4H13N5+2)2 (H3O+) (HV10O28-5)0.4 ] REM [ (C2H7N4O)0.6 (C4H13N5+2)2 (H3O+) (V10O28-6)0.6 ] 8H2O } REM 2{ C 0.8+1.2+8 H 2.8+4.2+26+3+1+16 N 2+2.4+10 O 0.6+1+28+8} = C20 H106 N2 SFAC C H N O V UNIT 20 106 28.8 75.2 20 SIZE 0.115 0.217 0.235 REM hexagonal orange TEMP -173 REM $1 Bg/H3O+ inversion center EQIV $1 -x+1, -y+1, -z+2 REM $2 cluster inversion center (1/2 0 1) EQIV $2 -x+1, -y , -z+2 FREE V1 V3_$2 FREE V1 V4 FREE V1 V5_$2 FREE V2 V3 FREE V2 V4 FREE V2 V5 FREE V3 V1_$2 FREE V3 V2 FREE V3 V4_$2 FREE V3 V5_$2 FREE V4 V1 FREE V4 V2 FREE V4 V3_$2 FREE V4 V5 FREE V5 V1_$2 FREE V5 V2 FREE V5 V4 FREE V5 V3_$2 FREE O1HB C1B_$1 FREE O1HB N2B_$1 FREE O1HG N4G_$1 FREE N1B N4B_$1 FREE N1B C3B_$1 FREE N5B N3B_$1 FREE N5B C1B_$1 FREE N5B C3B_$1 FREE C3B C3B_$1 FREE C3B N3B_$1 FREE C3B C1B_$1 FREE C3B N5B_$1 FREE C3B N1B_$1 FREE N4B N1B_$1 FREE N4B C1B_$1 FREE N3B N5B_$1 FREE N3B C3B_$1 FREE C1B O1HB_$1 FREE C1B C3B_$1 FREE C1B N5B_$1 FREE C1B N4B_$1 FREE N2B O1HB_$1 FREE O3G N2G_$1 FREE O3G C1G_$1 FREE N1G N3G_$1 FREE N1G C3G_$1 FREE N1G C1G_$1 FREE C1G N3G_$1 FREE C1G O3G_$1 FREE C1G C3G_$1 FREE C1G C1G_$1 FREE C1G N1G_$1 FREE N2G O3G_$1 FREE N2G C3G_$1 FREE N3G N1G_$1 FREE N3G C1G_$1 FREE C3G C1G_$1 FREE C3G N1G_$1 FREE C3G N2G_$1 FREE N4G O1HG_$1 FREE C1B H2G1_$1 FREE C1G H1G2_$1 FREE C3B H1G2_$1 FREE C3G H2G1_$1 FREE N1B H2G1_$1 FREE N1B H2G2_$1 FREE N1B H4B1_$1 FREE N1G H3G_$1 FREE N2G H1B1_$1 FREE N3B H1G2_$1 FREE N3G H1G2_$1 FREE N4B H1B1_$1 FREE N5B H3G_$1 FREE O1HB H2B1_$1 FREE O1HB H4G1_$1 FREE O1HG H2B1_$1 FREE O1HG H4G1_$1 FREE O3G H2G1_$1 FREE O3G H2G2_$1 FREE O3G H4B1_$1 SHEL 8.445 0.0 L.S. 1 FMAP 2 PLAN 20 ACTA CONF BOND $H LIST 4 FLAT 0.0010 C1b N1b N2b N3b FLAT 0.0010 N3b C3b N4b N5b FLAT 0.0010 C3g O3g N4g N3g FLAT 0.0010 N3g C1g N2g N1g REM N1b is NH2 REM Bg bond distances from averaging BIGUAN, BIGUAN01 exCSD DFIX 1.338 0.007 C1b N1b DFIX 1.362 0.007 C1b N2b DFIX 1.326 0.007 N3b C1b DFIX 1.382 0.007 N3b C3b DFIX 1.388 0.007 C3b N4b DFIX 1.295 0.007 C3b N5b REM HGU+ A.Chatkon, et al. InorgChimActa (2014) DFIX 1.225 0.007 C3g O3g DFIX 1.307 0.007 C1g N1g DFIX 1.307 0.007 C1g N2g DFIX 1.326 0.007 C3g N4g DFIX 1.398 0.007 N3g C3g DFIX 1.362 0.007 N3g C1g REM Metformium DFIXs - Free variables 2 & 3 for d[CH] and d[NH] DFIX 21 0.01 C3m H3m1 C3m H3m2 C3m H3m3 C4m H4m1 C4m H4m2 C4m H4m3 DFIX 31 0.01 N1m H1m1 N1m H1m2 N2m H2m1 N2m H2m2 N3m H3m N5m H5m1 N5m H5m2 REM Water DFIXs - Free variable 4 for d[HH] DFIX 0.84 0.010 O1W H1W1 O1W H1W2 O2W H2W1 O2W H2W2 O3W H3W1 O3W H3W2 = O4W H4W1 O4W H4W2 DFIX 41 0.010 H1w1 H1w2 H2w1 H2w2 H3w1 H3w2 H4w1 H4w2 MPLA 4 N1b C1b N2b N3b MPLA 4 N3b C3b N4b N5b MPLA 4 N3g C3g O3g N4g MPLA 4 N1g C1g N2g N3g MPLA 4 N1b C1b N2b N3b MPLA 7 N1b C1b N2b N3b C3b N4b N5b MPLA 7 N1g C1g N2g N3g C3g O3g N4g MPLA 6 N3m N4m N5m C2m C3m C4m MPLA 4 N1m N2m N3m C1m MPLA 4 N3m N4m N5m C2m HTAB REM EQIV $1 -x+1, -y, -z+1 HGU+/H3O+ inversion center (1/2 0 1/2) REM EQIV $2 -x+1, -y ,-z+2 cluster inversion center (1/2 0 1) REM Instructions for potential hydrogen bonds REM $1 -x+1, -y, -z+1 REM $2 -x+1, -y, -z+2 EQIV $3 -x+2, y-1/2, -z+5/2 EQIV $4 -x+2, -y, -z+2 EQIV $5 x+1, -y+1/2, z+1/2 EQIV $6 x, -y-1/2, z-1/2 EQIV $7 x, -y-1/2, z+1/2 EQIV $8 -x+1, -y+1, -z+2 EQIV $9 -x+1, y+1/2, -z+5/2 EQIV $10 x, -y+1/2, z+1/2 EQIV $11 -x+1, y+1/2, -z+3/2 EQIV $13 x, -y+1/2, z-1/2 EQIV $14 x, y-1, z EQIV $15 -x+1, y-1/2, -z+3/2 EQIV $16 -x+2, -y-1, -z+2 HTAB O123 N3b HTAB O1w O2w HTAB O1w O54 HTAB O1w O34 HTAB O2w O3w HTAB O2w O25_$3 HTAB O3w O24_$4 HTAB O3w O5_$3 HTAB O3w O2_$4 HTAB O4w O4 HTAB O4w O3w HTAB O4w O1w_$6 HTAB C3m O1w HTAB C3m O34 HTAB C3m O3w_$3 HTAB C3m O3_$2 HTAB C3m O14_$7 HTAB C3m O3g_$14 HTAB C3m O24_$7 HTAB C3m O4_$7 HTAB C4m O1w HTAB C4m O4_$7 HTAB C4m O4_$3 HTAB C4m O54_$3 HTAB C4m O24_$3 HTAB C4m O3w_$7 HTAB C4m O3w_$3 HTAB N1m O4 HTAB N1m O34 HTAB N1m O14 HTAB N1m O3g_$2 HTAB N1m O35_$15 HTAB N2m O2w_$3 HTAB N2m O4w_$16 HTAB N2m O2_$14 HTAB N2m O5_$6 HTAB N3m O34 HTAB N3m O4 HTAB N5m O1w_$3 HTAB N5m O54_$3 HTAB N5m O5_$3 HTAB N5m O4w HTAB N1b N5b ! Intramolecular HTAB N1b O3_$8 HTAB N1b O15_$9 HTAB N1b O35_$10 HTAB N1b O231_$10 HTAB N2b O25 HTAB N2b O15 HTAB N2b O123 HTAB N2b O3_$10 HTAB N2b O231_$10 HTAB N2b O35_$10 HTAB N4b O1hb HTAB N4b O2 HTAB N4b O3 HTAB N4b O123 HTAB N4b O35_$11 HTAB N4b O15_$13 HTAB N5b O1hb HTAB N5b O123_$8 HTAB N1g O3g ! Intramolecular HTAB N1g O1hg HTAB N1g O123_$8 HTAB N1g O2_$8 HTAB N2g O1hg HTAB N2g O3 HTAB N2g O2 HTAB N2g O35_$11 HTAB N2g O231_$11 HTAB N2g O15_$13 HTAB N3g O2 HTAB N3g O123 HTAB N3g O25 HTAB N4g O123 HTAB N4g O25 HTAB N4g O15 HTAB N4g O3_$10 HTAB N4g O231_$10 REM RTAB HHBH H1h2 H2b1 RTAB BGT N1b C1b C3b N4b RTAB GUT O3g C3g C1g N1g REM HFIX 137 -1.1 C3m C4m ! Ring Fourier Me group - rotating REM HFIX 93 -1.1 N1m N2m N5m ! terminal-planar NH2 groups REM HFIX 43 -1.1 N3m REM HFIX 137 -1.1 O1h REM HFIX 93 -1.1 N1b N2b N4b N5b REM HFIX 93 -1.1 N1g N2g N4g REM HFIX 43 -1.1 N3g REM FVAR scale d[CHm] d[NHm] d[HHw] REM FVAR5-11: thermals for Bg/HGU REM FVAR12: thermal for O1hb/O1hg REM Cluster WGHT 0.027800 1.599800 FVAR 0.29954 0.94643 0.84820 1.32351 0.02102 0.03079 0.04950 FVAR 0.01948 0.01465 0.02587 0.01136 0.05937 V1 5 0.526644 -0.074222 0.918959 11.00000 0.00687 0.00801 = 0.01006 -0.00170 0.00182 0.00060 O1 4 0.602183 -0.003007 1.057247 11.00000 0.00828 0.00924 = 0.00878 0.00087 0.00256 -0.00001 O123 4 0.506674 0.182655 0.997525 11.00000 0.00913 0.00861 = 0.01161 0.00095 0.00354 -0.00019 PART 1 H123 2 0.507466 0.255671 1.013901 10.20000 -1.10000 PART 0 O14 4 0.646177 -0.126536 0.929487 11.00000 0.00895 0.01061 = 0.01108 -0.00076 0.00392 0.00064 O15 4 0.563962 0.119025 1.189230 11.00000 0.01002 0.01187 = 0.01001 -0.00156 0.00274 0.00015 V2 5 0.651006 0.143003 0.991043 11.00000 0.00827 0.00871 = 0.01397 0.00291 0.00379 -0.00075 O2 4 0.670793 0.249597 0.937893 11.00000 0.01448 0.01232 = 0.02207 0.00563 0.00709 -0.00129 O231 4 0.544656 0.067012 0.875057 11.00000 0.00929 0.01001 = 0.01069 0.00183 0.00317 0.00048 O24 4 0.755572 0.052554 0.989624 11.00000 0.00890 0.01082 = 0.01313 0.00136 0.00497 -0.00011 O25 4 0.712895 0.176732 1.122984 11.00000 0.00958 0.00956 = 0.01382 -0.00076 0.00289 -0.00127 V3 5 0.408970 0.148529 0.855110 11.00000 0.00797 0.00798 = 0.01035 0.00261 0.00310 0.00086 O3 4 0.432537 0.252500 0.801369 11.00000 0.01433 0.01181 = 0.01862 0.00657 0.00721 0.00167 O34 4 0.705622 -0.188130 1.113385 11.00000 0.00932 0.00865 = 0.01205 0.00149 0.00387 0.00149 O35 4 0.335363 0.061584 0.753390 11.00000 0.01054 0.01207 = 0.00929 0.00093 0.00277 0.00070 V4 5 0.761624 -0.076681 1.058692 11.00000 0.00672 0.00928 = 0.01023 -0.00076 0.00278 0.00068 O4 4 0.862602 -0.136305 1.048311 11.00000 0.00930 0.01407 = 0.01624 -0.00090 0.00515 0.00222 V5 5 0.713657 0.067360 1.209399 11.00000 0.00789 0.01148 = 0.00977 -0.00243 0.00175 0.00027 O5 4 0.781104 0.118498 1.315701 11.00000 0.01292 0.01667 = 0.01233 -0.00437 0.00168 -0.00024 O54 4 0.815633 -0.007948 1.178303 11.00000 0.00771 0.01072 = 0.01082 -0.00048 0.00215 0.00018 REM H2Met2+ N1M 3 0.723997 -0.359722 0.940685 11.00000 0.02104 0.01282 = 0.00972 -0.00060 0.00179 0.00368 H1M1 2 0.700430 -0.388748 0.883522 11.00000 -1.10000 H1M2 2 0.709600 -0.294593 0.946771 11.00000 -1.10000 C1M 1 0.779432 -0.418598 1.018071 11.00000 0.01296 0.01135 = 0.01061 -0.00128 0.00323 0.00151 N2M 3 0.807562 -0.518462 1.009013 11.00000 0.02439 0.01235 = 0.01322 -0.00263 0.00326 0.00484 H2M1 2 0.794550 -0.543208 0.951020 11.00000 -1.10000 H2M2 2 0.830643 -0.557060 1.061805 11.00000 -1.10000 N3M 3 0.803302 -0.375369 1.110146 11.00000 0.01296 0.01130 = 0.00903 -0.00080 0.00245 0.00406 H3M 2 0.769079 -0.319089 1.113681 11.00000 -1.10000 C2M 1 0.890561 -0.406366 1.193138 11.00000 0.01096 0.00896 = 0.01010 -0.00029 0.00302 0.00127 N5M 3 0.982785 -0.425171 1.183127 11.00000 0.01102 0.01630 = 0.01268 0.00175 0.00468 0.00285 H5M1 2 1.037252 -0.449215 1.229933 11.00000 -1.10000 H5M2 2 0.991282 -0.406114 1.131380 11.00000 -1.10000 N4M 3 0.877627 -0.412275 1.278502 11.00000 0.01121 0.01395 = 0.00931 0.00052 0.00326 0.00326 C3M 1 0.773593 -0.399376 1.288004 11.00000 0.01457 0.02554 = 0.01574 0.00466 0.00792 0.00643 H3M1 2 0.718275 -0.410585 1.226463 11.00000 -1.10000 H3M2 2 0.766810 -0.448826 1.334121 11.00000 -1.10000 H3M3 2 0.765539 -0.331129 1.312649 11.00000 -1.10000 C4M 1 0.970767 -0.424422 1.370276 11.00000 0.01415 0.02005 = 0.01038 0.00128 0.00170 0.00496 H4M1 2 1.027581 -0.380262 1.367158 11.00000 -1.10000 H4M2 2 0.952803 -0.402502 1.425810 11.00000 -1.10000 H4M3 2 0.991025 -0.497684 1.378301 11.00000 -1.10000 REM the four water molecules O1W 4 0.929330 -0.179243 1.313432 11.00000 0.02698 0.01886 = 0.02092 0.00645 0.00329 0.00174 H1W1 2 0.986526 -0.169650 1.304444 11.00000 -1.10000 H1W2 2 0.885149 -0.137423 1.275354 11.00000 -1.10000 O2W 4 1.139437 -0.156852 1.314147 11.00000 0.02736 0.01767 = 0.01863 0.00271 0.00857 0.01078 H2W1 2 1.139114 -0.148925 1.256082 11.00000 -1.10000 H2W2 2 1.183742 -0.205680 1.337407 11.00000 -1.10000 O3W 4 1.142411 -0.163410 1.120210 11.00000 0.02290 0.01992 = 0.02663 0.00719 0.01444 0.00216 H3W1 2 1.170032 -0.122858 1.091705 11.00000 -1.10000 H3W2 2 1.176376 -0.220078 1.130930 11.00000 -1.10000 O4W 4 0.999092 -0.335447 1.015574 11.00000 0.03544 0.02947 = 0.01702 0.00229 0.00786 -0.00887 H4W1 2 0.965899 -0.331232 0.954417 11.00000 -1.10000 H4W2 2 1.016814 -0.275054 1.035640 11.00000 -1.10000 REM old O1H 0.383735 0.652308 0.766004 REM delta x0.02 z0.01 PART 1 O1HB 4 0.402455 0.648072 0.776600 10.20000 121.00000 PART 0 PART 2 O1HG 4 0.372222 0.654745 0.759627 10.30000 121.00000 PART 0 REM BG PART 1 N1B 3 0.507650 0.520995 1.160553 10.20000 111.00000 AFIX 93 H1B1 2 0.488881 0.584669 1.133181 10.20000 -1.10000 H1B2 2 0.518186 0.511443 1.223595 10.20000 -1.10000 AFIX 0 N5B 3 0.508119 0.598445 0.988092 10.20000 51.00000 AFIX 93 HDUM 2 0.495537 0.606918 1.043103 10.00000 -1.10000 H5B1 2 0.512385 0.654967 0.953191 10.20000 -1.10000 AFIX 0 C3B 1 0.520136 0.504526 0.959032 10.20000 61.00000 N4B 3 0.540163 0.450404 0.882647 10.20000 71.00000 AFIX 93 H4B1 2 0.548619 0.487117 0.834134 10.20000 -1.10000 H4B2 2 0.544265 0.379755 0.883264 10.20000 -1.10000 AFIX 0 N3B 3 0.513117 0.417945 1.014706 10.20000 81.00000 C1B 1 0.520045 0.439511 1.106848 10.20000 91.00000 N2B 3 0.547443 0.363382 1.177469 10.20000 101.00000 AFIX 93 H2B1 2 0.551560 0.379308 1.237911 10.20000 -1.10000 H2B2 2 0.561281 0.297563 1.163309 10.20000 -1.10000 AFIX 0 PART 0 REM HGU PART 2 O3G 4 0.487093 0.527230 1.134405 10.30000 111.00000 N1G 3 0.480537 0.595336 0.963856 10.30000 51.00000 AFIX 93 H1G1 2 0.461239 0.638386 0.912074 10.30000 -1.10000 H1G2 2 0.482554 0.619503 1.021573 10.30000 -1.10000 AFIX 0 C1G 1 0.505819 0.496998 0.955173 10.30000 61.00000 N2G 3 0.500013 0.469726 0.866198 10.30000 71.00000 AFIX 93 H2G1 2 0.480002 0.517343 0.817928 10.30000 -1.10000 H2G2 2 0.516118 0.403762 0.854605 10.30000 -1.10000 AFIX 0 N3G 3 0.537572 0.422589 1.033832 10.30000 81.00000 AFIX 43 H3G 2 0.565654 0.362069 1.023257 10.30000 -1.10000 AFIX 0 C3G 1 0.529674 0.433726 1.125986 10.30000 91.00000 N4G 3 0.564618 0.352476 1.184223 10.30000 101.00000 AFIX 93 H4G1 2 0.562335 0.353368 1.244117 10.30000 -1.10000 H4G2 2 0.590747 0.296136 1.164070 10.30000 -1.10000 PART 0 AFIX 0 HKLF 4 REM [(Bg/HGU) (H2Met+2)2 H3O+ HV10O28-5] .8H2O P21/c Z=2 REM R1 = 0.0278 for 12128 Fo > 4sig(Fo) and 0.0378 for all 14535 data REM 414 parameters refined using 41 restraints END WGHT 0.0277 1.5917 REM Instructions for potential hydrogen bonds HTAB O123 N5B_$1 HTAB O123 N3B HTAB O123 N2B HTAB N1M O35_$15 HTAB N1M O14 HTAB N2M O5_$6 HTAB N2M O2W_$3 HTAB N3M O34 HTAB N5M O54_$3 HTAB N5M O4W HTAB C3M O14_$7 HTAB C3M O24_$7 HTAB C4M O4_$7 HTAB C4M O4_$3 HTAB O1W O2W HTAB O1W O54 HTAB O2W O3W HTAB O2W O25_$3 HTAB O3W O24_$4 HTAB O3W O2_$4 HTAB O3W O5_$3 HTAB O4W O1W_$6 HTAB O4W O3W HTAB N1B O3_$1 HTAB N1B N5B HTAB N1B O15_$9 HTAB N1B O231_$10 HTAB N5B N1B HTAB N5B N4B_$1 HTAB N5B O123_$1 HTAB N5B O1HB HTAB N5B N2B_$1 HTAB N4B O15_$13 HTAB N4B O35_$11 HTAB N4B O2 HTAB N4B O3 HTAB N2B O231_$10 HTAB N2B O123 HTAB N2B O15 HTAB N1G O1HG HTAB N1G N4G_$1 HTAB N1G O3G HTAB N1G N2G_$1 HTAB N2G O1HG HTAB N2G N4G_$1 HTAB N2G O3 HTAB N3G O123 HTAB N3G O2 HTAB N4G O231_$10 HTAB N4G O3_$10 HTAB N4G O15 HTAB N4G O25 REM Highest difference peak 1.139, deepest hole -0.940, 1-sigma level 0.096 Q1 1 0.5505 0.4418 1.0724 11.00000 0.05 1.06 Q2 1 0.8193 -0.1045 1.0492 11.00000 0.05 0.62 Q3 1 0.9371 -0.4148 1.1908 11.00000 0.05 0.56 Q4 1 0.8437 -0.4896 1.0006 11.00000 0.05 0.56 Q5 1 0.7994 -0.4646 1.0201 11.00000 0.05 0.53 Q6 1 0.7538 -0.3906 0.9783 11.00000 0.05 0.50 Q7 1 0.8817 -0.4266 1.2378 11.00000 0.05 0.45 Q8 1 0.7199 0.0885 0.9933 11.00000 0.05 0.45 Q9 1 0.4077 0.2177 0.8207 11.00000 0.05 0.44 Q10 1 0.8423 -0.3915 1.1499 11.00000 0.05 0.44 Q11 1 0.7574 0.0984 1.2754 11.00000 0.05 0.43 Q12 1 0.7856 -0.4004 1.0636 11.00000 0.05 0.43 Q13 1 0.6706 0.2174 0.9739 11.00000 0.05 0.43 Q14 1 0.6398 0.4396 1.0620 11.00000 0.05 0.42 Q15 1 1.1901 -0.1512 1.1592 11.00000 0.05 0.40 Q16 1 0.7725 0.0130 1.1826 11.00000 0.05 0.40 Q17 1 0.5934 -0.1151 0.9291 11.00000 0.05 0.39 Q18 1 0.5648 0.1824 0.9959 11.00000 0.05 0.37 Q19 1 0.3308 0.0180 0.7879 11.00000 0.05 0.37 Q20 1 0.4920 0.1403 1.0312 11.00000 0.05 0.36 ; _shelx_res_checksum 95736 _shelx_hkl_file ; 3 0 0 324.872 9.070 9 -3 0 0 331.650 9.041 7 -3 0 0 331.282 9.114 9 3 0 0 341.957 9.112 7 3 0 0 324.923 8.387 8 3 0 0 326.402 9.105 9 -4 0 0 2095.92 49.10 8 -4 0 0 2194.76 53.25 9 4 0 0 2164.30 53.27 9 4 0 0 2161.75 53.21 9 4 0 0 2132.03 51.96 7 4 0 0 2192.99 49.11 8 -4 0 0 2164.01 51.98 7 -5 0 0 27.9307 2.1133 7 -5 0 0 27.4577 1.9100 8 5 0 0 25.7756 1.9839 9 5 0 0 24.0046 1.6436 2 -5 0 0 27.0550 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102.557 4.788 7 -6 -5 0 103.085 4.414 9 -6 5 0 101.226 4.735 7 -6 5 0 105.768 4.657 9 -6 5 0 98.3558 4.5854 9 -6 5 0 97.0215 4.2623 1 6 5 0 92.5307 4.3481 9 6 5 0 102.051 4.207 1 6 5 0 95.2660 4.4382 9 -6 5 0 94.5616 3.7040 2 6 5 0 102.398 4.645 9 6 5 0 102.898 4.350 8 6 5 0 103.861 3.731 2 6 5 0 100.900 3.832 6 7 -5 0 236.689 8.458 7 -7 -5 0 214.316 7.826 7 -7 -5 0 225.522 7.775 9 7 -5 0 225.646 6.600 2 7 -5 0 225.018 7.661 8 7 -5 0 214.788 8.068 9 -7 -5 0 215.592 7.127 8 7 -5 0 216.716 7.974 9 7 -5 0 217.754 7.295 1 -7 -5 0 218.052 7.624 9 -7 5 0 222.013 6.659 2 7 5 0 223.634 7.639 8 -7 5 0 208.468 7.265 1 -7 5 0 231.370 8.122 9 7 5 0 224.328 6.588 2 7 5 0 214.992 7.825 9 7 5 0 226.812 6.779 6 7 5 0 232.846 8.108 9 -7 5 0 234.306 8.387 7 7 5 0 217.475 7.988 9 7 5 0 217.169 7.213 1 -7 5 0 215.104 8.019 9 8 -5 0 1596.86 42.39 7 -8 -5 0 1601.12 42.52 9 8 -5 0 1639.68 43.04 9 -8 -5 0 1655.12 38.96 1 -8 -5 0 1641.98 42.47 9 -8 -5 0 1648.79 39.30 8 8 -5 0 1630.78 39.99 8 8 -5 0 1697.79 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25.3077 4.6030 1 20 -5 0 28.9407 5.0629 1 -20 5 0 27.8662 4.6302 1 20 5 0 34.7708 5.3366 1 20 5 0 30.9737 5.2438 8 21 -5 0 25.9620 5.0285 1 21 5 0 29.3453 5.2622 8 21 5 0 31.0964 5.2241 1 22 -5 0 21.9354 4.8547 1 22 5 0 13.4227 4.3401 1 22 5 0 20.9660 4.7651 8 0 -6 0 231.210 6.724 8 0 -6 0 232.802 7.218 9 0 -6 0 229.171 7.226 9 0 -6 0 219.865 6.659 7 0 6 0 235.552 6.166 2 0 6 0 231.228 6.893 8 0 6 0 232.907 6.629 5 0 6 0 228.970 7.344 9 0 6 0 222.269 7.280 9 1 -6 0 124.811 4.608 9 1 -6 0 124.711 4.272 7 -1 -6 0 119.724 4.484 9 -1 -6 0 124.704 4.080 7 -1 -6 0 119.600 4.484 9 1 -6 0 121.362 4.526 9 -1 -6 0 123.332 4.245 8 1 -6 0 125.988 4.325 8 -1 6 0 119.180 3.946 5 -1 6 0 122.266 4.196 7 -1 6 0 122.263 4.639 9 1 6 0 128.725 4.659 9 1 6 0 130.765 3.856 2 1 6 0 118.553 4.539 9 -1 6 0 121.874 4.412 8 -1 6 0 125.428 3.859 2 1 6 0 124.350 4.352 8 -1 6 0 118.671 4.666 9 2 -6 0 81.7060 3.3375 8 2 -6 0 75.7115 3.2355 7 2 -6 0 79.4568 2.8846 5 2 -6 0 75.6502 3.4473 9 -2 -6 0 79.2621 3.4070 9 -2 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585.828 17.405 9 5 -6 0 614.543 15.885 1 -5 -6 0 628.589 15.853 8 5 -6 0 624.719 16.335 8 -5 -6 0 638.741 17.109 9 5 -6 0 638.109 16.401 5 5 -6 0 628.016 17.331 7 -5 -6 0 634.800 17.223 9 -5 6 0 612.429 17.467 9 5 6 0 623.852 17.414 9 -5 6 0 618.675 15.009 2 5 6 0 636.710 17.412 9 -5 6 0 629.124 17.609 9 5 6 0 604.702 15.772 1 -5 6 0 617.232 16.063 1 5 6 0 610.951 14.787 2 5 6 0 619.677 16.161 8 5 6 0 625.133 15.785 6 -5 6 0 614.004 17.179 7 6 -6 0 152.777 6.302 7 6 -6 0 154.112 5.619 1 -6 -6 0 156.326 5.853 9 6 -6 0 152.013 6.019 9 6 -6 0 155.741 4.909 2 -6 -6 0 143.650 5.350 8 -6 -6 0 159.185 5.851 9 6 -6 0 150.694 5.457 5 6 -6 0 155.292 6.178 9 6 -6 0 155.265 5.847 8 6 6 0 156.282 5.284 6 -6 6 0 149.805 5.687 1 6 6 0 154.052 6.072 9 6 6 0 142.752 4.872 2 -6 6 0 145.621 5.058 2 6 6 0 145.986 5.476 1 -6 6 0 146.206 6.040 9 -6 6 0 156.294 6.266 7 -6 6 0 155.631 6.228 9 6 6 0 148.728 5.742 8 6 6 0 153.575 6.003 9 7 -6 0 52.3682 3.1928 1 -7 -6 0 51.6741 3.0290 8 7 -6 0 47.2499 3.3017 9 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2921.22 79.74 9 4 8 0 3284.51 73.21 1 5 -8 0 1702.98 43.66 9 5 -8 0 1721.72 41.43 5 -5 -8 0 1689.30 39.80 8 5 -8 0 1690.08 42.49 7 -5 -8 0 1679.52 43.08 9 -5 -8 0 1697.47 39.40 1 -5 -8 0 1638.27 42.99 9 5 -8 0 1675.46 40.43 8 5 -8 0 1670.56 39.79 1 5 8 0 1758.49 43.59 9 -5 8 0 1687.76 43.67 9 5 8 0 1656.99 40.08 6 5 8 0 1688.91 39.77 1 5 8 0 1689.14 37.67 2 5 8 0 1625.28 43.42 9 5 8 0 1661.55 40.34 8 -5 8 0 1690.66 37.92 2 -5 8 0 1689.11 42.37 7 -5 8 0 1723.34 43.86 9 6 -8 0 33.9273 2.3684 5 6 -8 0 28.8701 2.5541 1 6 -8 0 31.7460 2.9396 7 -6 -8 0 29.7003 2.5418 9 -6 -8 0 28.1817 2.4204 9 -6 -8 0 33.9235 2.5495 8 6 -8 0 37.5898 2.9825 8 6 -8 0 30.8260 2.7893 9 -6 -8 0 31.9918 2.4565 1 -6 8 0 29.0821 2.6740 7 6 8 0 30.5296 2.7377 9 6 8 0 37.5145 2.9027 9 6 8 0 30.5121 2.4623 6 6 8 0 29.8948 2.2520 2 6 8 0 37.8087 2.9084 1 -6 8 0 34.8808 2.8686 9 -6 8 0 30.1406 2.7419 9 -6 8 0 28.5174 2.3316 2 -6 8 0 29.0879 2.6840 1 6 8 0 32.7048 2.7547 8 7 -8 0 74.8061 4.6054 7 -7 -8 0 78.0944 4.1699 9 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1.50141 7 8 2 -2 7.83322 1.53237 9 -8 2 2 3.98386 1.24922 9 8 2 -2 6.03874 1.27871 6 8 2 -2 5.17182 1.34506 9 -8 2 2 7.95569 1.54691 8 8 2 -2 3.77132 1.16821 8 -8 2 2 6.31643 1.18463 2 -7 -2 2 2.10920 0.96427 8 7 -2 -2 -0.2333 0.7889 9 -7 -2 2 1.13283 0.87304 9 7 -2 -2 0.99894 0.87259 8 -7 -2 2 -0.0796 0.6419 9 -7 2 2 1.88901 0.79916 2 -7 2 2 0.75606 0.91654 7 7 2 -2 0.95078 0.83440 6 7 2 -2 1.40594 0.84497 8 7 2 -2 -0.4910 0.7519 9 7 2 -2 0.89401 0.83606 9 -7 2 2 2.12017 0.95948 9 -7 2 2 0.99623 0.81091 8 -7 2 2 0.70543 0.78372 9 6 -2 -2 2906.39 75.44 9 6 -2 -2 3059.64 69.72 8 -6 -2 2 2916.83 75.46 9 -6 -2 2 3129.96 69.84 8 -6 -2 2 3057.89 75.40 9 -6 2 2 3048.89 73.82 7 6 2 -2 3132.57 69.81 6 6 2 -2 3102.12 75.53 9 -6 2 2 3036.83 69.74 8 6 2 -2 3133.27 69.69 8 6 2 -2 3070.21 75.57 9 -6 2 2 3172.18 65.96 2 -6 2 2 3040.90 75.60 9 -6 2 2 3069.46 75.48 9 5 -2 -2 1976.80 49.62 9 -5 -2 2 1988.24 49.55 9 -5 -2 2 1980.82 49.64 9 5 -2 -2 1976.43 45.82 8 -5 -2 2 2037.89 45.92 8 5 2 -2 1995.61 49.62 9 5 2 -2 1983.95 49.56 9 5 2 -2 1997.87 45.78 8 -5 2 2 2053.17 43.28 2 -5 2 2 2015.62 48.61 7 -5 2 2 1986.49 49.53 9 -5 2 2 1992.85 49.73 9 5 2 -2 1975.62 45.86 6 5 2 -2 1957.09 49.52 9 4 -2 -2 56.4369 2.6494 9 -4 -2 2 53.9285 2.6232 9 4 -2 -2 56.0730 2.4726 9 -4 -2 2 59.2331 2.5659 8 -4 -2 2 60.0444 2.6651 9 4 -2 -2 58.6221 2.4984 8 -4 2 2 53.7141 2.5175 9 4 2 -2 58.8143 2.6485 9 4 2 -2 56.3071 2.4761 6 -4 2 2 57.4593 2.7140 9 -4 2 2 55.9668 2.7586 7 4 2 -2 57.1738 2.4728 8 4 2 -2 54.7709 2.5834 9 -3 -2 2 341.551 8.816 8 -3 -2 2 333.394 9.439 9 3 -2 -2 345.629 9.249 9 3 -2 -2 347.698 9.451 9 -3 -2 2 345.660 9.525 9 -3 -2 2 349.941 9.516 9 -3 2 2 345.089 9.363 7 -3 2 2 351.533 9.339 9 3 2 -2 350.051 9.486 9 3 2 -2 344.821 8.763 8 -3 2 2 355.884 9.552 9 3 2 -2 355.396 8.944 6 2 -2 -2 78.7266 2.4022 9 -2 -2 2 72.5060 2.6722 9 -2 -2 2 69.5257 2.5025 8 -2 -2 2 61.6840 2.5774 9 2 -2 -2 78.5406 2.5502 9 2 2 -2 75.8025 2.6753 9 -2 2 2 78.8925 2.6152 9 -2 2 2 78.6330 2.4789 9 2 2 -2 76.4870 2.6986 6 -2 2 2 78.5632 2.5891 7 -1 -2 2 652.044 15.303 8 -1 -2 2 643.335 16.537 9 1 -2 -2 670.193 15.956 9 1 -2 -2 660.921 16.010 9 -1 -2 2 649.058 16.540 9 1 2 -2 632.981 16.508 9 -1 2 2 674.159 16.120 9 -1 2 2 637.843 15.608 7 -1 2 2 658.407 16.174 9 -1 2 2 660.509 15.434 5 0 -2 2 0.34934 0.41353 9 0 -2 2 -0.0829 0.4629 7 0 -2 2 0.75531 0.44474 9 0 -2 2 0.11157 0.42523 5 0 -2 2 0.40947 0.41572 8 0 2 -2 0.11638 0.45138 5 0 2 2 0.33926 0.22402 9 0 2 -2 0.15685 0.39968 9 0 2 -2 0.10649 0.37129 9 0 2 2 0.51584 0.23097 9 0 2 -2 0.23595 0.49146 7 1 -2 2 5.57185 0.93785 8 1 -2 2 7.09708 0.90121 9 -1 -2 -2 5.14359 0.63952 7 1 -2 2 5.49463 0.86323 5 1 -2 2 2.97729 0.79497 7 1 -2 2 4.96214 0.74506 9 -1 -2 -2 5.25002 0.35641 9 1 2 2 5.24662 0.65370 8 -1 2 -2 4.41150 0.88747 7 1 2 2 6.09000 0.61900 9 -1 2 -2 5.47721 0.78710 9 1 2 2 4.52053 0.53891 9 1 2 2 5.70585 0.70497 7 -1 2 -2 4.22196 0.83933 5 -1 2 -2 3.32478 0.73812 9 -2 -2 -2 625.294 15.705 9 2 -2 2 633.416 16.281 9 -2 -2 -2 623.077 15.613 7 -2 -2 -2 635.301 15.628 9 2 -2 2 627.806 16.145 7 2 -2 2 617.437 16.004 5 2 -2 2 648.587 15.085 8 2 -2 2 650.433 16.307 9 -2 2 -2 631.198 16.228 9 2 2 2 636.186 15.730 7 2 2 2 621.659 14.790 8 2 2 2 604.973 15.971 9 -2 2 -2 629.810 16.203 9 2 2 2 642.611 15.866 9 -2 2 -2 641.092 16.207 7 3 -2 2 2983.48 65.45 8 -3 -2 -2 2871.00 68.79 7 -3 -2 -2 2863.76 70.24 9 -3 -2 -2 2820.63 70.35 9 3 -2 2 2938.67 70.92 9 3 -2 2 2904.64 69.28 7 3 -2 2 2960.29 62.02 2 3 -2 2 2856.38 70.83 9 3 2 2 2967.15 61.54 2 3 2 2 2959.64 64.62 6 3 2 2 2894.69 70.70 9 -3 2 -2 2943.68 70.86 9 -3 2 -2 2777.74 69.17 7 3 2 2 2883.83 70.52 9 3 2 2 2871.31 68.85 7 3 2 2 2830.08 65.20 8 -3 2 -2 3008.61 70.81 9 4 -2 2 382.298 10.039 8 -4 -2 -2 374.111 10.314 9 4 -2 2 383.822 9.239 2 4 -2 2 374.383 10.899 7 4 -2 2 370.002 10.713 9 4 -2 2 368.830 10.773 9 -4 -2 -2 372.598 10.587 7 -4 -2 -2 375.515 10.192 9 4 2 2 396.467 10.557 9 4 2 2 386.965 9.941 8 -4 2 -2 380.011 10.650 9 4 2 2 373.267 10.656 7 4 2 2 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7.073 1 -13 9 2 114.426 7.067 8 13 9 -2 125.294 6.116 2 -12 -9 2 -0.4391 1.7605 1 12 -9 -2 0.05161 1.76279 1 12 9 -2 -0.2378 1.8678 1 12 9 -2 0.69311 1.41720 2 12 9 -2 -0.1665 1.6381 8 -12 9 2 2.60452 1.97866 8 -12 9 2 3.55953 2.10739 1 -11 -9 2 1.07985 1.73342 1 -11 -9 2 1.03720 1.65807 7 11 -9 -2 2.89452 1.76602 8 11 -9 -2 1.12971 1.60549 1 11 9 -2 3.32541 1.86376 1 -11 9 2 3.63163 1.99528 1 -11 9 2 3.10883 1.58890 2 11 9 -2 0.15350 1.39900 2 11 9 -2 3.16962 1.86656 8 11 9 -2 0.77324 1.43622 6 10 -9 -2 227.204 9.376 9 -10 -9 2 217.900 8.280 1 10 -9 -2 196.470 8.085 1 10 -9 -2 208.383 8.585 8 -10 9 2 211.827 9.157 7 10 9 -2 204.951 8.428 1 10 9 -2 216.101 8.970 8 -10 9 2 200.849 8.625 1 10 9 -2 205.459 7.488 2 10 9 -2 209.186 7.969 6 -10 9 2 218.644 7.792 2 9 -9 -2 260.635 9.104 1 -9 -9 2 264.533 9.043 1 -9 -9 2 257.639 9.749 9 9 -9 -2 245.209 9.326 8 9 -9 -2 273.450 10.285 9 -9 9 2 261.304 9.669 1 9 9 -2 259.045 9.451 1 9 9 -2 246.138 8.302 2 -9 9 2 269.934 10.153 7 9 9 -2 260.412 9.074 6 -9 9 2 234.369 8.373 2 9 9 -2 262.913 9.807 8 8 -9 -2 26.1588 2.8319 9 8 -9 -2 24.3850 2.9869 7 -8 -9 2 21.7795 2.6523 9 -8 -9 2 24.7080 2.8227 1 8 -9 -2 26.9371 2.9135 8 8 -9 -2 20.0216 2.5825 1 -8 -9 2 25.6667 2.7665 8 8 9 -2 25.4301 3.0087 8 -8 9 2 31.6362 3.3290 1 -8 9 2 25.5525 2.9862 9 -8 9 2 23.8732 2.7038 7 8 9 -2 25.5317 2.4489 2 -8 9 2 29.2097 2.7358 2 8 9 -2 28.2843 2.8220 6 8 9 -2 27.4341 3.0981 1 8 9 -2 26.1543 2.8184 9 -7 -9 2 2.56686 1.32303 9 7 -9 -2 0.47483 1.15327 7 -7 -9 2 1.63434 1.15724 8 7 -9 -2 1.74597 0.82629 5 7 -9 -2 2.73343 1.38342 9 7 -9 -2 1.40632 1.18514 1 7 -9 -2 2.88388 1.39520 8 -7 -9 2 3.04336 1.33955 1 7 9 -2 3.27345 1.44856 1 -7 9 2 0.88938 1.11425 7 7 9 -2 2.64034 1.16559 2 7 9 -2 2.12417 1.33023 8 -7 9 2 1.47589 1.12584 2 -7 9 2 0.81922 1.29878 1 7 9 -2 1.10569 1.14179 9 -7 9 2 1.20424 1.32552 9 7 9 -2 1.18781 1.27027 6 -6 -9 2 2.35001 1.19307 8 -6 -9 2 4.68450 1.48071 1 6 -9 -2 3.85573 1.37408 9 6 -9 -2 1.25653 1.23811 7 -6 -9 2 1.59638 1.07364 9 6 -9 -2 1.09368 1.02424 9 6 -9 -2 2.90056 1.23424 1 6 -9 -2 3.36895 1.33097 8 -6 -9 2 3.15834 1.33444 9 6 -9 -2 2.18853 0.76685 5 6 9 -2 3.01354 1.07324 2 6 9 -2 3.42991 1.34881 9 -6 9 2 3.29208 1.20737 2 -6 9 2 1.82498 1.11863 9 -6 9 2 1.55989 1.09347 7 6 9 -2 2.54951 1.43351 8 -6 9 2 1.84656 1.34139 1 6 9 -2 4.15394 1.45279 1 -6 9 2 1.48373 1.18206 9 6 9 -2 3.13895 1.39532 9 6 9 -2 6.61442 1.57403 6 -5 -9 2 50.4951 3.3455 9 5 -9 -2 47.8238 3.2553 9 -5 -9 2 46.1302 3.2141 8 -5 -9 2 46.9351 3.1742 1 5 -9 -2 44.6175 3.0497 9 -5 -9 2 56.4491 3.4466 9 -5 -9 2 46.7421 3.2631 9 5 -9 -2 44.0468 2.9903 8 5 -9 -2 57.6688 3.1593 1 5 -9 -2 49.2178 3.1818 7 5 9 -2 51.6622 2.8828 2 5 9 -2 52.5978 3.5450 8 5 9 -2 57.0136 3.6555 9 -5 9 2 48.1988 2.9563 2 5 9 -2 46.4217 3.3536 6 -5 9 2 56.2450 3.5911 9 5 9 -2 50.0142 3.4183 1 5 9 -2 47.2924 3.4054 9 -5 9 2 54.6641 3.1514 7 -5 9 2 46.4907 3.3530 1 -5 9 2 45.3858 3.2880 9 -4 -9 2 49.5275 3.2739 9 4 -9 -2 46.2484 2.9857 9 -4 -9 2 50.7632 3.1698 1 4 -9 -2 54.9926 3.1810 8 4 -9 -2 46.0499 3.0878 9 4 -9 -2 52.5770 3.0180 1 -4 -9 2 53.7879 3.3381 8 -4 -9 2 54.8881 3.3990 9 4 -9 -2 48.4854 2.9959 7 -4 9 2 55.8574 3.4414 9 -4 9 2 50.4090 3.3432 9 4 9 -2 53.5435 3.4886 8 -4 9 2 53.0959 3.3318 1 -4 9 2 53.8415 2.9565 7 4 9 -2 55.4808 3.4552 1 4 9 -2 57.7962 2.9630 2 4 9 -2 49.3513 3.3445 6 4 9 -2 51.2317 3.4337 9 4 9 -2 58.9661 3.6519 9 -4 9 2 50.7217 2.8497 2 -3 -9 2 31.3435 2.6334 9 3 -9 -2 34.2763 2.5394 9 -3 -9 2 31.6189 2.4549 7 -3 -9 2 28.0758 2.5455 1 3 -9 -2 32.0023 2.3729 9 -3 -9 2 33.9420 2.6665 9 3 -9 -2 32.8044 2.2571 7 -3 -9 2 34.8842 2.7570 8 3 -9 -2 30.8906 2.3787 8 -3 9 2 29.1620 2.0484 7 -3 9 2 29.7562 2.4847 9 -3 9 2 26.3578 2.3779 9 3 9 -2 28.3836 2.5664 8 -3 9 2 31.6257 2.6205 8 3 9 -2 31.3996 2.2580 2 3 9 -2 25.8540 2.4738 1 -3 9 2 26.5782 2.5267 1 3 9 -2 30.7161 2.6425 9 3 9 -2 32.6040 2.6798 9 -3 9 2 27.5588 2.0834 2 -2 -9 2 1856.23 47.65 9 -2 -9 2 1872.93 45.91 7 2 -9 -2 1919.18 47.06 9 -2 -9 2 1864.73 44.13 8 2 -9 -2 1851.12 43.51 8 2 -9 -2 1846.62 45.07 7 -2 -9 2 1811.21 43.47 1 2 -9 -2 1856.25 47.05 9 2 9 -2 1842.09 43.70 1 -2 9 2 1885.76 41.33 2 2 9 -2 1864.02 41.45 2 -2 9 2 1907.31 47.54 9 2 9 -2 1817.82 47.76 9 -2 9 2 1895.91 44.14 8 2 9 -2 1863.27 47.84 9 2 9 -2 1836.72 44.33 8 -2 9 2 1838.92 43.47 1 -2 9 2 1901.23 44.53 5 -2 9 2 1893.50 47.69 9 2 9 -2 1831.81 46.08 5 -1 -9 2 1926.29 48.67 9 -1 -9 2 1940.21 45.07 8 1 -9 -2 1903.39 47.83 9 -1 -9 2 1903.41 44.42 1 1 -9 -2 1888.49 45.68 7 -1 -9 2 1877.77 46.85 7 1 -9 -2 1906.33 44.25 8 1 -9 -2 1881.59 47.86 9 1 9 -2 1992.08 45.32 8 -1 9 2 1900.58 44.27 1 1 9 -2 1848.66 44.48 1 -1 9 2 1918.37 42.07 2 1 9 -2 1890.53 48.73 9 -1 9 2 1899.08 45.57 5 1 9 -2 1908.95 42.26 2 -1 9 2 1837.27 48.38 9 1 9 -2 1946.35 48.80 9 1 9 -2 1870.46 46.84 5 -1 9 2 1907.61 48.39 9 -1 9 2 1901.44 44.83 8 0 -9 2 524.777 15.811 9 0 -9 2 546.051 14.524 1 0 -9 2 514.645 14.655 8 0 -9 -2 521.426 14.996 9 0 -9 2 552.962 15.215 7 0 -9 -2 533.842 15.007 9 0 -9 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17.5771 1.7692 9 2 9 2 19.2373 1.7848 2 -2 9 -2 17.9963 2.1552 9 -2 9 -2 19.0903 1.8787 2 2 9 2 19.3225 2.1280 8 -2 9 -2 22.5878 1.9927 5 2 9 2 21.5542 2.1379 9 -2 9 -2 20.3184 2.2234 9 -2 9 -2 16.5570 2.1714 1 2 9 2 20.1662 2.1809 1 2 9 2 18.1754 1.9599 9 -2 9 -2 17.9470 2.0769 7 -2 9 -2 18.5263 2.1637 8 -3 -9 -2 441.997 11.464 7 3 -9 2 425.598 11.130 2 3 -9 2 425.030 12.372 1 3 -9 2 438.235 13.591 9 3 -9 2 425.282 13.479 9 3 -9 2 434.833 12.735 8 -3 -9 -2 432.609 12.495 9 -3 -9 -2 431.920 12.452 9 3 -9 2 433.279 13.178 7 -3 9 -2 435.626 11.443 2 -3 9 -2 426.046 13.637 9 3 9 2 428.975 12.019 1 -3 9 -2 421.904 12.438 1 3 9 2 443.066 12.468 8 -3 9 -2 435.570 13.630 9 3 9 2 431.012 13.157 9 -3 9 -2 422.891 13.039 7 3 9 2 421.910 11.080 2 3 9 2 437.885 13.190 9 4 -9 2 28.4064 2.3453 5 4 -9 2 25.8373 2.7458 1 4 -9 2 33.0312 2.8853 9 4 -9 2 33.4141 2.8574 8 4 -9 2 31.2106 2.2578 2 -4 -9 -2 29.4328 2.3192 9 -4 -9 -2 33.4939 2.3223 9 4 -9 2 30.6099 2.7140 9 4 -9 2 32.4962 2.9734 7 4 9 2 28.5012 2.6205 1 -4 9 -2 26.2975 2.8096 9 -4 9 -2 33.6151 3.0083 1 4 9 2 32.5769 2.6652 8 4 9 2 28.8326 2.5589 9 -4 9 -2 29.1191 2.8107 7 4 9 2 34.8957 2.7329 9 -4 9 -2 31.0224 2.3527 2 -4 9 -2 29.1981 2.8010 9 4 9 2 31.9724 2.1784 2 -5 -9 -2 24.0171 2.0889 9 5 -9 2 26.6902 2.6822 9 5 -9 2 24.9350 2.7908 7 -5 -9 -2 29.3270 2.2546 7 -5 -9 -2 26.6771 2.3003 9 -5 -9 -2 22.5944 2.2216 3 5 -9 2 23.4634 2.1892 5 5 -9 2 22.7251 2.6627 9 5 -9 2 27.0640 2.2371 2 5 -9 2 28.6096 2.9072 8 5 -9 2 26.3024 2.6157 1 -5 9 -2 26.4539 2.8262 7 -5 9 -2 31.5687 2.9698 9 5 9 2 26.8266 2.5959 9 5 9 2 26.2747 2.6136 8 -5 9 -2 24.7940 2.6984 9 5 9 2 23.3756 2.4716 9 -5 9 -2 25.0650 2.3654 2 5 9 2 29.0373 2.3663 6 5 9 2 24.1019 2.1009 2 -5 9 -2 23.7192 2.7701 1 5 9 2 23.0582 2.5469 1 -6 -9 -2 125.935 5.257 9 6 -9 2 128.978 6.033 8 -6 -9 -2 124.345 5.371 3 6 -9 2 128.815 5.493 5 6 -9 2 134.696 4.985 2 -6 -9 -2 121.340 5.144 7 6 -9 2 111.445 5.896 9 6 -9 2 124.807 5.753 1 6 9 2 122.837 5.622 8 6 9 2 130.566 4.879 2 6 9 2 129.727 5.042 6 -6 9 -2 120.283 6.050 9 6 9 2 127.587 5.480 1 6 9 2 120.536 5.755 9 -6 9 -2 121.873 6.127 7 -6 9 -2 130.752 5.926 1 -6 9 -2 122.902 4.999 2 -7 -9 -2 64.1140 3.7698 7 7 -9 2 65.6701 4.3412 8 7 -9 2 54.9486 4.2356 9 -7 -9 -2 59.0689 3.5441 9 7 -9 2 62.8384 3.5055 2 7 -9 2 59.3154 3.8231 5 -7 -9 -2 58.2248 3.8167 3 7 -9 2 57.0596 4.0937 1 -7 9 -2 65.2082 4.4202 9 -7 9 -2 65.1309 4.6164 7 7 9 2 57.2381 3.9426 9 7 9 2 58.1449 3.9218 1 7 9 2 58.1884 3.3558 2 7 9 2 67.1637 4.2902 8 7 9 2 65.2045 3.4525 6 -7 9 -2 65.1766 4.2112 1 -8 -9 -2 301.318 10.297 9 8 -9 2 305.779 11.118 8 -8 9 -2 330.047 11.032 1 8 9 2 320.423 11.025 8 8 9 2 307.099 11.253 9 8 9 2 313.721 9.535 2 8 9 2 333.123 10.645 1 9 -9 2 41.9091 3.9508 1 9 -9 2 43.3589 3.9093 8 -9 9 -2 37.2674 3.8879 1 9 9 2 38.6482 3.7134 1 9 9 2 33.8396 3.4005 8 9 9 2 43.1225 3.1962 2 9 9 2 40.0073 3.6302 9 10 -9 2 88.9164 5.8092 8 10 -9 2 105.738 6.130 1 10 9 2 94.0973 5.6092 1 -10 9 -2 110.361 6.300 8 10 9 2 100.975 4.943 2 -10 9 -2 104.340 6.070 1 10 9 2 100.530 6.009 8 11 -9 2 117.256 6.760 1 11 -9 2 116.181 6.709 8 11 9 2 106.379 5.364 2 -11 9 -2 116.138 6.721 8 -11 9 -2 101.410 6.270 1 11 9 2 108.258 6.533 8 11 9 2 98.1703 6.0596 1 12 -9 2 -1.0046 1.8676 1 12 -9 2 -1.9941 1.5875 8 12 9 2 0.94046 1.99799 8 -12 9 -2 2.09198 2.03142 1 12 9 2 -0.4771 1.8901 1 12 9 2 -0.3731 1.4834 2 13 -9 2 11.6330 3.2272 8 13 -9 2 9.25942 2.90015 1 13 9 2 6.47633 2.64023 8 13 9 2 5.19737 2.16975 2 13 9 2 6.70886 2.68066 1 -13 9 -2 10.0343 2.7951 1 14 -9 2 4.29446 2.59807 8 14 -9 2 4.58168 2.74284 1 14 9 2 4.74231 2.66417 8 14 9 2 10.3409 3.1862 1 14 9 2 14.7679 3.0058 2 -14 9 -2 7.21017 2.80627 1 15 -9 2 443.558 16.575 1 15 -9 2 423.560 16.535 8 -15 9 -2 449.511 15.928 1 15 9 2 428.311 16.127 1 15 9 2 424.078 14.433 2 15 9 2 445.444 16.717 8 16 -9 2 457.791 17.684 8 16 -9 2 476.065 17.765 1 16 9 2 468.508 15.641 2 16 9 2 499.787 17.847 1 -16 9 -2 495.858 16.933 1 16 9 2 438.558 17.445 8 17 -9 2 4.37911 3.02402 8 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3 609.173 15.693 5 2 3 3 589.411 14.171 8 2 3 3 594.104 15.184 9 -2 3 -3 615.977 15.831 9 -2 3 -3 578.707 15.823 7 2 3 3 604.630 15.006 7 -2 3 -3 601.249 15.761 9 2 3 3 592.537 15.311 9 -3 -3 -3 490.377 12.654 9 3 -3 3 499.796 13.737 9 -3 -3 -3 498.295 13.021 7 3 -3 3 486.486 13.670 9 3 -3 3 484.412 13.543 5 3 -3 3 487.416 13.764 7 3 -3 3 501.773 11.751 2 3 -3 3 514.552 12.794 8 -3 -3 -3 503.327 12.597 9 -3 3 -3 501.771 13.592 9 3 3 3 508.810 11.048 2 -3 3 -3 508.533 13.676 9 3 3 3 516.577 11.494 6 3 3 3 500.280 12.374 8 3 3 3 514.135 13.184 9 3 3 3 485.347 13.301 9 -3 3 -3 474.354 13.752 7 4 -3 3 29.0545 2.0207 9 4 -3 3 29.5984 1.8306 2 4 -3 3 30.7361 2.3793 7 -4 -3 -3 33.1702 1.6708 9 4 -3 3 31.0788 2.1663 9 -4 -3 -3 33.3017 2.0817 7 -4 -3 -3 31.1114 1.5896 9 4 -3 3 34.8012 2.1398 8 -4 3 -3 36.1374 2.2220 9 4 3 3 32.9716 1.4732 2 -4 3 -3 30.9583 2.0391 9 4 3 3 32.1781 1.8986 9 4 3 3 32.3754 1.9750 8 4 3 3 29.5680 1.9525 9 -4 3 -3 28.5161 2.2744 7 5 -3 3 28.0878 2.1823 8 -5 -3 -3 24.7075 1.5658 9 5 -3 3 25.6563 2.0977 9 -5 -3 -3 25.8275 1.6535 9 5 -3 3 21.6580 2.1932 7 -5 -3 -3 27.2749 2.0985 7 5 -3 3 28.2630 1.8394 2 5 -3 3 28.3303 2.2031 9 5 3 3 22.7817 1.8095 9 5 3 3 26.8789 1.5123 2 -5 3 -3 27.5548 2.0467 9 5 3 3 23.2521 1.9144 8 -5 3 -3 23.5020 1.9757 8 5 3 3 23.3304 1.9188 9 -5 3 -3 22.3075 2.1555 7 -5 3 -3 23.4227 2.0069 9 6 -3 3 93.7374 4.4786 9 -6 -3 -3 102.600 3.866 9 6 -3 3 107.935 5.068 7 -6 -3 -3 97.2880 3.8803 9 6 -3 3 94.5730 4.2767 8 -6 -3 -3 107.104 4.651 7 6 -3 3 94.6179 4.2205 1 6 -3 3 92.4458 4.5167 9 6 -3 3 98.5979 3.8683 2 6 3 3 99.9422 4.2687 8 -6 3 -3 99.9516 4.4954 9 6 3 3 101.953 3.477 2 6 3 3 99.2605 4.4354 9 -6 3 -3 100.017 4.343 9 -6 3 -3 98.3065 4.8621 7 -6 3 -3 100.542 4.255 8 6 3 3 103.799 4.378 9 -7 -3 -3 958.181 25.697 7 -7 -3 -3 974.354 25.206 9 7 -3 3 950.922 26.248 9 7 -3 3 1006.44 26.52 9 7 -3 3 952.573 22.676 2 7 -3 3 984.313 24.552 8 7 -3 3 930.891 26.233 7 7 -3 3 939.130 24.161 1 -7 -3 -3 975.118 25.160 9 -7 3 -3 947.643 25.867 9 7 3 3 970.229 23.767 1 -7 3 -3 922.868 26.170 7 7 3 3 978.397 26.092 9 -7 3 -3 982.542 26.176 9 -7 3 -3 960.787 23.599 1 -7 3 -3 926.136 24.162 8 7 3 3 973.621 26.026 9 7 3 3 979.931 22.227 2 7 3 3 1007.92 24.41 8 8 -3 3 103.316 5.690 7 8 -3 3 122.164 5.388 8 8 -3 3 105.377 5.135 1 -8 -3 -3 116.309 5.530 7 8 -3 3 120.034 5.666 9 -8 -3 -3 109.952 4.645 9 8 -3 3 110.802 4.540 2 -8 -3 -3 111.870 4.695 9 8 -3 3 111.874 5.422 9 -8 3 -3 110.772 5.127 9 8 3 3 109.614 5.035 8 8 3 3 113.841 4.330 2 -8 3 -3 117.425 4.821 1 -8 3 -3 111.383 5.775 7 8 3 3 113.090 5.294 9 -8 3 -3 105.637 4.961 8 8 3 3 108.631 4.961 1 8 3 3 107.228 5.244 9 -8 3 -3 112.661 5.332 9 -9 -3 -3 4.07217 1.60366 7 -9 -3 -3 4.36095 1.26160 9 9 -3 3 2.78536 1.55998 1 -9 -3 -3 2.69792 1.16478 9 9 -3 3 4.62278 1.67348 9 9 -3 3 3.27131 1.58204 8 9 -3 3 3.86542 1.51800 9 9 -3 3 2.12078 1.18742 2 9 3 3 3.45827 1.22064 2 9 3 3 7.71015 1.75698 1 9 3 3 2.97360 1.40099 9 -9 3 -3 3.52519 1.39962 1 -9 3 -3 2.42088 1.31605 9 -9 3 -3 3.75252 1.53773 9 -9 3 -3 1.08175 1.41366 7 9 3 3 5.20544 1.59247 9 -9 3 -3 4.76369 1.58475 8 9 3 3 4.42552 1.50425 8 10 -3 3 357.521 11.998 8 10 -3 3 368.750 12.763 9 10 -3 3 351.649 10.547 2 10 -3 3 362.346 11.842 1 -10 -3 -3 338.867 12.388 7 -10 -3 -3 376.052 11.454 9 -10 -3 -3 344.914 10.249 1 10 3 3 351.281 12.356 9 10 3 3 339.146 11.333 1 10 3 3 349.510 11.688 8 -10 3 -3 363.934 11.053 1 -10 3 -3 361.556 12.226 9 10 3 3 367.070 10.484 2 -10 3 -3 336.716 12.846 7 11 -3 3 490.032 13.625 2 11 -3 3 472.426 15.015 1 11 -3 3 490.542 15.432 8 -11 -3 -3 483.404 16.100 7 -11 3 -3 478.758 14.152 1 11 3 3 483.255 14.764 1 11 3 3 474.126 13.432 2 11 3 3 467.774 14.963 8 11 3 3 481.559 15.968 9 12 -3 3 59.3451 4.7418 1 12 -3 3 53.3397 4.4328 8 12 -3 3 50.1655 3.6585 2 12 3 3 45.0049 4.1806 8 12 3 3 60.4083 3.9678 2 12 3 3 55.4176 4.4702 1 -12 3 -3 51.2566 3.9937 1 13 -3 3 113.052 6.726 1 13 -3 3 105.947 5.511 2 13 -3 3 108.670 6.743 8 13 3 3 111.446 5.603 2 13 3 3 116.783 6.590 1 -13 3 -3 123.548 6.197 1 13 3 3 124.286 6.798 8 14 -3 3 31.2961 4.1197 8 14 -3 3 31.2528 3.3223 2 14 -3 3 28.5055 4.1952 1 14 3 3 29.6052 3.6682 8 -14 3 -3 26.3795 3.7510 1 14 3 3 28.7797 4.1199 1 14 3 3 36.2163 3.4236 2 15 -3 3 3.61634 2.48105 8 15 -3 3 3.56552 2.53791 1 15 -3 3 4.49887 1.98629 2 15 3 3 4.41982 2.33086 8 -15 3 -3 5.30054 2.42213 1 15 3 3 7.58020 2.27962 2 15 3 3 9.44443 2.91770 1 16 -3 3 1.43267 2.23696 8 16 -3 3 0.30457 2.50333 1 16 3 3 -2.4239 2.1815 1 16 3 3 0.28180 2.15478 8 16 3 3 -2.7660 1.5431 2 17 -3 3 21.7857 4.1165 8 17 -3 3 15.5976 3.7877 1 17 3 3 21.2176 3.4217 2 17 3 3 19.0966 3.8581 8 17 3 3 20.4051 4.0297 1 18 -3 3 16.3533 3.9523 8 18 -3 3 10.7460 3.5497 1 18 3 3 14.1551 3.7898 1 18 3 3 13.1032 3.5293 8 18 3 3 16.8020 3.1759 2 19 -3 3 34.7745 5.4418 8 19 -3 3 30.0059 5.0879 1 19 3 3 38.7282 5.5146 1 19 3 3 35.8068 5.2010 8 20 -3 3 2.26851 3.08962 1 20 -3 3 0.47565 3.07790 8 20 3 3 -1.8717 2.9234 1 20 3 3 9.27192 3.66992 8 21 -3 3 6.31288 3.66050 1 21 -3 3 8.71140 3.87404 8 21 3 3 8.45765 3.56575 8 21 3 3 7.85423 3.65726 1 23 -4 -3 87.9973 7.6453 1 23 4 -3 82.8627 7.7498 1 -23 4 3 88.9872 7.5497 1 22 -4 -3 47.4882 6.1229 1 22 4 -3 45.3809 5.9350 1 -22 4 3 54.6689 6.4050 1 21 -4 -3 53.2093 6.1135 1 21 4 -3 44.1094 5.7092 8 -21 4 3 49.3163 6.3440 1 21 4 -3 50.6821 5.9639 1 20 -4 -3 -1.1555 2.5578 1 -20 -4 3 5.77565 2.90904 1 -20 4 3 5.80240 3.17279 1 20 4 -3 0.90722 2.55911 8 20 4 -3 7.62560 3.21092 1 -19 -4 3 366.858 13.827 1 19 -4 -3 352.225 14.321 1 19 4 -3 373.520 14.709 1 19 4 -3 356.350 14.752 8 -19 4 3 372.777 14.503 1 18 -4 -3 456.251 16.187 1 -18 -4 3 471.802 15.562 1 18 4 -3 414.703 16.276 8 -18 4 3 446.876 15.931 1 18 4 -3 439.850 16.152 1 17 -4 -3 -2.2600 1.8378 8 17 -4 -3 -1.4255 2.0567 1 -17 -4 3 1.57990 2.09532 1 -17 4 3 -1.3777 1.8475 8 -17 4 3 -0.7804 2.1055 1 17 4 -3 1.24066 2.20226 8 17 4 -3 1.57444 2.24018 1 16 -4 -3 5.46538 2.34511 8 16 -4 -3 8.33244 2.68281 1 -16 -4 3 5.32593 2.48747 1 16 4 -3 4.71383 2.15283 8 -16 4 3 5.85738 2.57791 1 16 4 -3 5.40222 2.58697 1 -16 4 3 7.02601 2.56415 8 15 -4 -3 25.7924 3.7784 1 15 -4 -3 31.1419 3.8508 8 -15 -4 3 30.5164 4.1166 1 15 4 -3 30.0391 4.0672 1 -15 4 3 28.5557 4.1899 1 -15 4 3 27.7186 3.7279 8 15 4 -3 23.5650 3.4912 8 -14 -4 3 4.69874 2.06884 1 -14 -4 3 6.95024 2.24123 1 14 -4 -3 8.29694 2.39760 8 14 -4 -3 7.59291 2.41198 1 -14 -4 3 7.42241 2.25636 8 14 4 -3 9.04832 2.47371 8 -14 4 3 7.24660 2.44958 8 14 4 -3 7.66222 2.38305 1 -14 4 3 9.45828 2.55438 1 14 4 -3 5.63492 1.78762 2 -13 -4 3 31.3213 3.3348 8 13 -4 -3 42.6397 3.9465 1 -13 -4 3 36.3687 3.7197 1 -13 -4 3 33.4814 3.6655 9 13 -4 -3 35.8082 3.6110 8 -13 -4 3 31.5732 3.8188 1 13 4 -3 40.4474 3.9494 8 -13 4 3 39.2205 3.8572 8 13 4 -3 36.9296 3.8660 1 13 4 -3 38.7026 3.0724 2 -13 4 3 37.9208 3.1704 2 -13 4 3 27.0658 3.7413 1 12 -4 -3 12.6031 2.4495 1 12 -4 -3 19.0159 2.8266 9 -12 -4 3 15.5760 2.7738 7 -12 -4 3 12.1728 2.4685 9 -12 -4 3 16.7073 2.6316 1 12 -4 -3 14.5015 2.4526 8 -12 -4 3 10.8501 2.2268 8 -12 4 3 12.6509 2.6072 7 12 4 -3 12.3507 2.4278 8 12 4 -3 12.0710 2.1807 6 12 4 -3 13.1717 2.0356 2 -12 4 3 15.3271 2.5845 1 -12 4 3 12.2938 2.4487 8 12 4 -3 14.5221 2.5201 1 -12 4 3 11.2987 1.9652 2 11 -4 -3 75.7489 4.6425 9 -11 -4 3 68.1995 4.4635 9 -11 -4 3 68.8827 4.4328 8 -11 -4 3 55.5019 4.3910 7 11 -4 -3 61.4102 4.1250 1 11 -4 -3 75.0945 4.3783 8 -11 -4 3 68.9661 4.3228 1 11 4 -3 68.2309 3.9941 6 -11 4 3 69.8784 3.7021 2 -11 4 3 68.8755 4.5837 9 -11 4 3 63.9196 4.4457 8 11 4 -3 68.2422 4.5416 9 -11 4 3 59.6071 4.5554 7 -11 4 3 73.6102 4.6831 9 11 4 -3 71.7836 4.6755 9 11 4 -3 71.8101 4.4166 1 -11 4 3 64.2714 4.4097 1 11 4 -3 68.6222 4.5740 9 11 4 -3 68.5640 3.7235 2 11 4 -3 68.5880 4.4096 8 -10 -4 3 9.47801 2.00475 9 10 -4 -3 11.5704 2.0130 8 -10 -4 3 14.4307 2.1660 8 10 -4 -3 12.1901 2.0726 1 -10 -4 3 10.5560 1.6273 2 10 -4 -3 8.47649 1.91471 9 -10 -4 3 9.29686 1.89452 1 10 4 -3 12.7715 2.1672 9 10 4 -3 13.0503 2.0772 6 10 4 -3 9.96562 1.96405 8 -10 4 3 7.02221 1.76600 1 -10 4 3 8.62283 1.93177 9 10 4 -3 10.0151 1.9939 9 -10 4 3 12.7871 2.2002 8 10 4 -3 9.27633 1.64777 2 10 4 -3 9.24986 2.05320 1 10 4 -3 12.5815 2.1399 9 -10 4 3 14.0223 1.9173 2 -10 4 3 8.03815 2.01465 7 -10 4 3 10.4946 2.0345 9 9 -4 -3 2.48472 1.25718 1 -9 -4 3 2.98273 1.16704 9 -9 -4 3 3.06857 1.02436 2 -9 -4 3 2.88708 1.31798 1 9 -4 -3 4.07872 1.35115 9 -9 -4 3 3.97485 1.33278 8 -9 -4 3 2.15627 1.22218 9 9 -4 -3 2.62466 1.20346 8 9 4 -3 5.20714 1.50443 1 -9 4 3 1.83589 1.02414 2 9 4 -3 4.54772 1.46072 9 -9 4 3 1.14185 1.08137 9 9 4 -3 3.24777 1.06168 2 9 4 -3 2.83624 1.22189 8 -9 4 3 2.86592 1.37418 1 -9 4 3 3.49964 1.38851 8 -9 4 3 0.58872 0.95749 9 9 4 -3 3.35471 1.31649 9 -9 4 3 2.26284 1.33064 7 9 4 -3 3.64646 1.25799 6 8 -4 -3 278.192 9.437 9 -8 -4 3 282.771 8.729 1 -8 -4 3 305.246 9.307 8 8 -4 -3 296.682 9.093 8 8 -4 -3 276.020 9.625 9 -8 -4 3 296.369 9.686 9 -8 -4 3 284.628 7.949 2 -8 -4 3 274.473 9.648 9 8 -4 -3 292.275 8.693 1 8 4 -3 291.162 9.845 9 8 4 -3 294.947 9.014 1 8 4 -3 276.156 8.074 2 8 4 -3 293.843 8.975 6 8 4 -3 288.696 9.706 9 8 4 -3 289.692 9.186 8 -8 4 3 289.225 8.173 2 -8 4 3 274.230 8.919 1 -8 4 3 290.535 9.975 7 -8 4 3 268.355 9.538 9 -8 4 3 297.296 9.252 8 -8 4 3 288.877 9.886 9 7 -4 -3 143.633 5.552 9 -7 -4 3 143.071 4.687 2 7 -4 -3 152.912 5.504 8 -7 -4 3 146.293 5.864 9 -7 -4 3 143.974 5.812 9 -7 -4 3 144.578 5.341 1 7 -4 -3 147.682 5.848 9 -7 -4 3 138.801 5.514 8 7 4 -3 148.748 5.420 6 7 4 -3 139.414 5.773 9 7 4 -3 148.718 5.532 8 -7 4 3 142.281 4.858 2 7 4 -3 143.405 4.795 2 -7 4 3 182.418 6.408 9 7 4 -3 142.661 5.761 9 -7 4 3 147.842 6.053 7 -7 4 3 148.129 5.785 9 -7 4 3 149.480 5.457 1 7 4 -3 148.369 5.415 1 6 -4 -3 1979.95 45.94 8 -6 -4 3 1963.92 46.12 8 6 -4 -3 1947.66 49.37 9 6 -4 -3 2007.99 49.79 9 -6 -4 3 1949.30 49.75 9 -6 -4 3 1927.20 49.80 9 6 4 -3 2060.10 46.36 6 6 4 -3 2023.39 46.05 8 6 4 -3 1931.95 49.73 9 -6 4 3 2043.97 49.74 9 6 4 -3 2010.98 49.89 9 -6 4 3 1924.95 49.88 9 -6 4 3 1952.96 48.70 7 -6 4 3 1993.34 43.38 2 -5 -4 3 45.5607 2.5957 8 -5 -4 3 40.8219 2.4860 9 5 -4 -3 39.7712 2.3361 8 5 -4 -3 43.6912 2.3080 9 -5 -4 3 42.9744 2.5351 9 -5 -4 3 43.8470 2.5727 9 5 -4 -3 43.6279 2.5105 9 5 4 -3 40.7710 2.5243 9 -5 4 3 41.4919 2.5283 9 -5 4 3 43.2112 2.4242 9 -5 4 3 50.8951 2.7480 7 5 4 -3 43.9096 2.4702 8 5 4 -3 42.6187 2.5228 9 5 4 -3 41.1345 2.5728 6 -5 4 3 41.9609 2.1132 2 4 -4 -3 225.643 7.007 9 4 -4 -3 233.804 6.786 9 -4 -4 3 219.588 7.178 9 -4 -4 3 225.484 7.243 9 -4 -4 3 223.135 6.766 8 -4 4 3 230.798 6.008 2 -4 4 3 242.871 7.246 9 4 4 -3 220.561 7.207 9 4 4 -3 225.256 6.736 8 -4 4 3 225.972 6.927 7 -4 4 3 237.285 7.059 9 4 4 -3 222.984 7.234 9 4 4 -3 234.344 6.987 6 3 -4 -3 258.064 7.392 9 -3 -4 3 248.021 7.733 9 -3 -4 3 255.425 7.266 8 3 -4 -3 260.953 7.198 9 -3 -4 3 232.768 7.677 9 -3 4 3 258.961 6.340 2 -3 4 3 256.213 7.138 7 3 4 -3 251.513 7.226 8 3 4 -3 264.748 7.552 6 3 4 -3 256.491 7.729 9 -3 4 3 251.644 7.518 9 -3 4 3 265.172 6.953 8 -3 4 3 266.295 7.439 9 2 -4 -3 4829.27 120.14 9 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4.4886 6 11 8 -3 69.3474 4.8660 8 11 8 -3 75.8685 4.2800 2 -11 8 3 74.4133 5.1520 1 -10 -8 3 3.10669 1.68818 1 10 -8 -3 -0.8592 1.2525 8 -10 -8 3 5.41526 1.85176 9 10 -8 -3 0.48787 1.43908 9 10 -8 -3 4.25561 1.66882 1 -10 -8 3 4.08985 1.66529 8 -10 8 3 4.48753 1.80119 7 10 8 -3 2.77215 1.30899 2 -10 8 3 5.01796 1.56183 2 10 8 -3 3.12574 1.67355 8 10 8 -3 1.16428 1.39063 1 10 8 -3 4.64625 1.58003 6 -10 8 3 5.36805 1.94183 1 -9 -8 3 127.707 5.958 8 9 -8 -3 118.162 5.396 1 -9 -8 3 121.177 6.120 9 -9 -8 3 129.758 5.786 1 9 -8 -3 130.316 6.299 9 9 -8 -3 138.715 6.003 8 -9 8 3 124.455 6.358 9 9 8 -3 121.701 5.891 1 9 8 -3 134.270 6.181 8 -9 8 3 127.706 6.149 1 9 8 -3 133.211 5.855 6 9 8 -3 133.705 5.263 2 -9 8 3 118.501 6.056 7 -9 8 3 121.812 5.268 2 8 -8 -3 42.1496 3.3463 9 -8 -8 3 39.7888 3.1960 1 -8 -8 3 40.6086 3.2711 8 -8 -8 3 34.5417 3.0875 9 8 -8 -3 38.7035 2.9909 9 8 -8 -3 43.2440 3.5946 7 8 -8 -3 39.2348 2.3497 5 8 -8 -3 40.8978 3.1645 8 -8 -8 3 37.6718 3.1124 9 8 -8 -3 38.8881 2.9697 1 -8 8 3 35.7614 3.3887 1 -8 8 3 43.3704 2.9284 2 8 8 -3 35.6511 3.0909 1 8 8 -3 32.0543 3.0041 9 8 8 -3 40.1621 3.2538 8 8 8 -3 35.9024 3.0736 6 -8 8 3 38.9244 3.2007 7 8 8 -3 40.2727 3.3423 9 8 8 -3 36.6086 2.6766 2 -8 8 3 44.8069 3.4584 9 -8 8 3 43.5627 3.3406 9 7 -8 -3 76.4535 4.0105 9 7 -8 -3 77.3161 3.0701 5 7 -8 -3 76.3681 3.7915 1 7 -8 -3 85.3687 4.5185 7 -7 -8 3 76.6519 4.1198 1 7 -8 -3 74.4157 4.0663 8 -7 -8 3 75.8790 4.1217 8 7 -8 -3 75.4220 4.2807 9 -7 -8 3 76.2903 4.3606 9 -7 8 3 73.7851 4.3027 9 7 8 -3 72.1035 4.2394 8 -7 8 3 81.4490 4.2406 7 7 8 -3 78.2253 3.6700 2 -7 8 3 75.6067 4.4598 9 7 8 -3 77.7752 4.4280 9 -7 8 3 73.3519 4.2480 1 7 8 -3 82.8132 4.3963 6 7 8 -3 74.9449 4.2406 1 7 8 -3 70.7917 4.2747 9 -7 8 3 75.0812 3.6997 2 -6 -8 3 54.0555 3.4984 9 6 -8 -3 51.6198 2.1527 5 -6 -8 3 50.1182 3.2435 8 6 -8 -3 49.2402 3.3137 7 6 -8 -3 45.4127 2.9779 9 -6 -8 3 48.9936 3.2398 1 6 -8 -3 49.7181 2.9325 1 6 -8 -3 49.2218 3.2655 9 6 -8 -3 46.6193 3.0670 8 6 8 -3 49.9753 2.8930 2 6 8 -3 56.9442 3.5853 6 6 8 -3 50.7944 3.3408 8 -6 8 3 46.6503 3.0227 7 6 8 -3 48.9354 3.3906 9 -6 8 3 48.9513 3.3385 1 -6 8 3 49.2372 3.2859 9 -6 8 3 49.9154 3.4124 9 6 8 -3 55.3946 3.5340 9 6 8 -3 49.0490 3.2537 1 -6 8 3 50.1823 2.8996 2 5 -8 -3 7.37923 1.44206 8 5 -8 -3 5.78527 1.27749 9 -5 -8 3 4.21482 1.27149 8 -5 -8 3 7.76656 1.60043 9 5 -8 -3 6.05528 1.35838 7 5 -8 -3 5.59183 1.37956 9 -5 -8 3 6.92180 1.50169 1 -5 8 3 5.70639 1.23844 7 -5 8 3 6.30542 1.41090 1 -5 8 3 7.21432 1.31976 2 -5 8 3 6.61642 1.45004 9 5 8 -3 7.78223 1.63240 8 5 8 -3 5.35364 1.18683 2 5 8 -3 7.32758 1.59176 9 5 8 -3 8.14579 1.62912 1 -5 8 3 2.66260 1.09335 9 5 8 -3 4.17343 1.31771 9 5 8 -3 5.77922 1.51131 6 4 -8 -3 25.2485 2.1493 9 -4 -8 3 34.5228 2.7040 8 4 -8 -3 25.3268 2.0908 8 -4 -8 3 28.4317 2.4858 1 4 -8 -3 26.8852 2.0805 9 4 -8 -3 27.5571 2.0652 7 -4 -8 3 25.9747 2.3693 9 -4 8 3 25.4543 2.0135 2 -4 8 3 28.8404 1.9712 7 4 8 -3 21.8377 1.8909 2 4 8 -3 30.1424 2.6001 6 4 8 -3 24.7930 2.4480 8 -4 8 3 26.5287 2.2754 9 4 8 -3 26.0086 2.3724 9 4 8 -3 25.9572 2.4424 9 -4 8 3 24.5913 2.2525 8 4 8 -3 21.3742 2.3832 1 -4 8 3 25.2075 2.2341 9 -4 8 3 27.5437 2.3978 1 -3 -8 3 325.612 9.446 1 3 -8 -3 320.652 9.068 7 3 -8 -3 325.284 9.714 9 3 -8 -3 333.116 9.585 9 -3 -8 3 315.621 9.651 8 -3 -8 3 326.317 9.938 7 -3 -8 3 318.833 10.344 9 3 8 -3 319.796 10.380 9 -3 8 3 325.203 10.094 9 3 8 -3 302.651 9.599 8 -3 8 3 307.771 9.393 8 -3 8 3 311.824 8.831 7 -3 8 3 329.306 9.269 1 3 8 -3 320.285 9.486 1 3 8 -3 306.656 8.608 2 -3 8 3 294.468 9.870 9 -3 8 3 321.910 8.494 2 3 8 -3 301.564 10.236 9 -2 -8 3 1853.64 48.00 9 -2 -8 3 1911.92 47.97 9 2 -8 -3 1870.03 46.96 9 -2 -8 3 1878.68 44.38 8 2 -8 -3 1943.74 46.91 9 2 -8 -3 1872.17 44.98 7 -2 -8 3 1889.10 41.42 2 -2 -8 3 1891.99 46.35 7 -2 8 3 1911.07 43.49 1 2 8 -3 1838.18 43.82 1 -2 8 3 1876.74 43.96 8 2 8 -3 1878.60 47.96 9 2 8 -3 1844.28 47.94 9 -2 8 3 1917.39 47.50 9 -2 8 3 1807.24 47.43 9 2 8 -3 1886.66 41.59 2 2 8 -3 1869.05 46.50 5 2 8 -3 1941.85 44.54 8 -2 8 3 1863.81 41.30 2 -1 -8 3 967.529 23.907 8 -1 -8 3 932.053 24.847 7 -1 -8 3 988.255 25.799 9 -1 -8 3 954.871 21.904 2 1 -8 -3 949.167 24.606 9 1 -8 -3 946.864 23.085 7 -1 -8 3 947.810 23.438 1 -1 -8 3 972.854 25.731 9 1 -8 -3 969.325 24.553 9 1 8 -3 979.995 23.957 8 -1 8 3 952.589 21.693 2 -1 8 3 977.211 25.255 9 1 8 -3 951.006 22.055 2 1 8 -3 974.234 23.542 1 -1 8 3 978.306 25.327 9 -1 8 3 912.151 23.305 8 1 8 -3 980.524 25.748 9 1 8 -3 801.478 25.356 9 -1 8 3 965.258 23.071 5 1 8 -3 982.655 24.841 5 0 -8 3 7.11918 1.41918 9 0 -8 3 9.35499 1.60209 1 0 -8 -3 7.40433 0.72467 7 0 -8 -3 7.74163 1.19872 9 0 -8 3 8.78730 1.58982 7 0 -8 -3 7.55945 1.14368 9 0 -8 -3 8.05763 1.15031 9 0 -8 3 8.79736 1.29385 2 0 -8 3 10.8101 1.6946 8 0 -8 3 9.73210 1.71991 9 0 8 -3 8.35653 1.47768 5 0 8 -3 11.2579 1.6279 8 0 8 -3 9.78782 1.63828 9 0 8 3 10.5202 1.2735 2 0 8 3 10.6225 1.4731 9 0 8 -3 8.00708 1.43784 1 0 8 3 9.37030 1.47003 8 0 8 -3 10.0090 1.3883 2 0 8 -3 5.46264 1.30789 9 0 8 3 8.30024 1.34899 9 1 -8 3 84.4811 4.2112 9 1 -8 3 82.0310 4.1013 7 -1 -8 -3 80.3559 2.4277 7 1 -8 3 75.4332 4.0244 9 -1 -8 -3 83.8544 3.3010 9 1 -8 3 82.5630 3.9999 8 -1 -8 -3 83.2350 3.2784 9 1 -8 3 78.9348 3.2591 2 1 -8 3 78.5624 3.8545 1 1 8 3 77.9433 2.9909 2 1 8 3 78.9257 3.7021 9 -1 8 -3 77.9823 4.0639 9 -1 8 -3 80.0580 4.1083 9 -1 8 -3 82.2116 3.9777 8 1 8 3 74.7139 3.6535 9 -1 8 -3 75.0645 3.2641 2 1 8 3 75.5964 3.5260 8 -1 8 -3 76.2226 3.7187 5 -1 8 -3 76.0745 3.8490 1 2 -8 3 102.032 4.335 5 2 -8 3 98.7044 4.6461 7 2 -8 3 83.9431 4.2622 8 2 -8 3 91.7015 4.5632 9 2 -8 3 91.1277 4.5540 9 -2 -8 -3 94.9829 3.0656 7 2 -8 3 96.8688 4.3128 1 -2 -8 -3 93.0945 3.6590 9 -2 -8 -3 97.5947 2.9819 7 -2 -8 -3 88.0352 3.5587 9 2 -8 3 89.1072 3.6593 2 2 8 3 97.7005 4.2608 9 2 8 3 104.142 3.989 1 -2 8 -3 80.2083 4.0709 1 2 8 3 95.3312 4.1972 9 -2 8 -3 85.9203 4.4478 7 -2 8 -3 99.7849 4.6749 9 -2 8 -3 94.5750 3.7283 2 2 8 3 90.7715 3.9728 8 -2 8 -3 87.5909 4.1288 5 2 8 3 96.5532 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70.4656 4.0821 1 5 -9 -4 6.60042 1.32346 9 -5 -9 4 5.55406 1.54403 9 -5 -9 4 8.36372 1.78707 8 -5 -9 4 7.75542 1.39284 2 5 -9 -4 7.47835 1.50316 9 -5 -9 4 12.0992 1.9879 1 -5 -9 4 8.94553 1.75115 9 5 9 -4 4.60772 1.49958 9 -5 9 4 8.93831 1.74317 9 -5 9 4 6.75088 1.33298 2 5 9 -4 5.86573 1.58486 8 -5 9 4 9.43519 1.44687 7 5 9 -4 7.26649 1.39074 2 5 9 -4 9.45629 1.81392 9 -5 9 4 7.94125 1.60915 1 5 9 -4 9.11486 1.87562 6 5 9 -4 5.04507 1.47469 1 -5 9 4 8.82945 1.63894 9 -4 -9 4 23.6426 2.1404 2 4 -9 -4 27.4367 2.0760 9 -4 -9 4 28.7212 2.7564 8 -4 -9 4 28.3309 2.6363 7 4 -9 -4 25.8015 2.1781 9 -4 -9 4 24.8583 2.5977 1 -4 -9 4 30.3322 2.6221 9 -4 -9 4 26.1561 2.5664 9 -4 9 4 25.9656 2.3959 8 -4 9 4 27.7280 2.0890 2 4 9 -4 25.0460 2.6343 9 -4 9 4 31.0217 2.5388 9 4 9 -4 30.1122 2.6506 8 4 9 -4 29.5215 2.6489 9 4 9 -4 31.4131 2.8872 6 4 9 -4 31.6750 2.3497 2 4 9 -4 26.2840 2.6605 1 -4 9 4 25.5276 2.4478 1 -4 9 4 27.4548 2.4030 9 -4 9 4 26.2404 1.8544 7 -3 -9 4 328.312 11.196 9 -3 -9 4 349.058 9.297 2 3 -9 -4 349.327 9.989 9 -3 -9 4 331.469 10.172 1 3 -9 -4 334.218 10.111 9 -3 -9 4 332.380 10.758 7 -3 -9 4 345.067 11.290 9 -3 -9 4 328.776 10.516 8 3 9 -4 330.085 11.204 9 -3 9 4 331.189 9.799 1 -3 9 4 341.988 9.110 7 3 9 -4 346.998 11.056 6 3 9 -4 356.835 10.732 8 -3 9 4 358.271 10.827 9 3 9 -4 342.787 11.284 9 3 9 -4 325.497 9.316 2 -3 9 4 328.293 10.095 8 -3 9 4 337.896 9.136 2 3 9 -4 339.591 10.846 5 -3 9 4 325.088 10.725 9 -2 -9 4 1993.04 46.97 1 -2 -9 4 2025.11 44.34 2 -2 -9 4 2010.88 47.62 8 -2 -9 4 2002.35 49.82 7 2 -9 -4 2032.42 49.81 9 -2 -9 4 2047.69 51.44 9 2 -9 -4 2074.72 49.68 9 -2 -9 4 1982.52 51.34 9 -2 9 4 1943.00 46.32 1 -2 9 4 2006.30 46.95 8 2 9 -4 1969.46 51.29 9 2 9 -4 2019.23 49.88 5 -2 9 4 1934.10 50.67 9 2 9 -4 2007.70 47.02 1 -2 9 4 2052.73 44.12 2 2 9 -4 2016.92 47.61 8 2 9 -4 2013.28 44.44 2 2 9 -4 1915.74 51.20 9 -2 9 4 2012.30 50.64 9 -1 -9 4 500.173 12.964 2 -1 -9 4 521.492 14.627 8 -1 -9 4 524.292 14.329 1 1 -9 -4 517.001 13.440 3 1 -9 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7.984 9 -1 -9 -4 220.763 6.778 3 -1 -9 -4 211.294 6.310 9 -1 -9 -4 210.588 6.311 9 -1 9 -4 223.219 8.129 9 -1 9 -4 200.999 6.427 2 -1 9 -4 209.340 7.922 9 1 9 4 218.533 6.144 2 1 9 4 211.216 6.813 1 1 9 4 204.421 7.353 9 1 9 4 211.788 7.399 9 -1 9 -4 206.611 7.339 1 1 9 4 212.388 7.068 8 -1 9 -4 223.086 7.706 8 -1 9 -4 211.055 7.556 5 2 -9 4 201.699 8.100 9 -2 -9 -4 217.887 6.365 9 -2 -9 -4 210.765 6.284 9 -2 -9 -4 213.757 6.813 3 2 -9 4 216.646 8.238 9 2 -9 4 204.890 8.077 7 2 -9 4 208.898 6.648 2 2 -9 4 208.807 7.789 8 2 -9 4 219.979 7.670 1 2 9 4 220.104 6.968 1 -2 9 -4 208.764 7.489 1 -2 9 -4 215.194 7.726 5 -2 9 -4 231.115 8.333 7 2 9 4 228.270 7.671 9 -2 9 -4 209.279 8.066 9 2 9 4 194.463 7.416 9 2 9 4 215.608 7.196 8 2 9 4 208.570 6.206 2 -2 9 -4 222.231 8.264 9 -2 9 -4 220.772 6.696 2 -3 -9 -4 0.81942 0.70118 9 3 -9 4 2.55786 1.24360 9 3 -9 4 -0.1431 0.9860 1 3 -9 4 -0.7773 0.8103 2 -3 -9 -4 0.98891 0.45982 7 3 -9 4 -0.5192 0.9488 8 -3 -9 -4 0.59630 0.56594 9 -3 -9 -4 1.18436 0.96547 3 3 -9 4 0.44272 1.17609 7 3 -9 4 0.14516 0.96012 5 3 -9 4 -0.1083 0.9702 9 3 9 4 -0.5141 0.7178 2 3 9 4 0.05654 0.90913 8 3 9 4 -0.0470 0.8481 9 3 9 4 0.03570 0.98293 1 -3 9 -4 1.30149 1.08145 7 -3 9 -4 1.33502 1.14554 1 -3 9 -4 0.03087 1.08140 9 3 9 4 1.12845 0.92721 9 -3 9 -4 -0.8156 0.8208 9 -3 9 -4 0.65453 0.89316 2 4 -9 4 236.424 8.675 8 -4 -9 -4 245.669 7.782 3 -4 -9 -4 238.770 7.065 9 4 -9 4 231.465 8.420 1 4 -9 4 246.668 8.613 5 -4 -9 -4 248.606 6.891 7 4 -9 4 235.426 7.474 2 4 -9 4 238.727 9.146 9 -4 9 -4 238.362 9.207 7 -4 9 -4 249.764 8.465 1 4 9 4 237.698 8.066 8 4 9 4 246.499 7.852 1 4 9 4 229.143 6.952 2 -4 9 -4 236.479 9.000 9 4 9 4 243.444 8.581 9 4 9 4 244.546 8.561 9 -5 -9 -4 532.844 14.098 9 5 -9 4 533.863 15.838 5 5 -9 4 528.315 15.314 1 -5 -9 -4 546.665 14.512 3 5 -9 4 492.012 13.804 2 5 -9 4 513.643 15.625 8 -5 9 -4 530.672 16.515 9 5 9 4 542.228 14.572 1 -5 9 -4 529.396 16.711 7 5 9 4 526.944 13.392 2 5 9 4 536.882 15.045 8 -5 9 -4 528.536 15.182 1 5 9 4 534.823 15.872 9 5 9 4 546.397 14.051 6 -6 -9 -4 1950.71 48.38 9 -6 -9 -4 1947.16 45.91 3 6 -9 4 1966.48 47.96 8 6 -9 4 1893.20 47.16 1 6 -9 4 1964.76 44.46 2 -6 9 -4 1927.71 46.94 1 6 9 4 1946.66 47.12 8 6 9 4 1986.31 43.83 2 6 9 4 2005.60 50.65 9 6 9 4 1958.61 46.34 1 -6 9 -4 1969.98 50.82 7 -6 9 -4 2022.87 51.41 9 7 -9 4 125.581 6.361 8 7 -9 4 114.803 6.018 1 -7 -9 -4 121.971 5.641 3 7 -9 4 110.192 5.096 2 7 9 4 125.358 5.938 8 7 9 4 118.504 4.865 2 7 9 4 134.379 5.880 1 -7 9 -4 120.573 5.989 1 -7 9 -4 127.698 6.424 9 8 -9 4 65.7545 4.7905 8 -8 -9 -4 60.0627 4.1414 3 8 -9 4 52.7038 4.2402 1 8 -9 4 61.2169 3.8309 2 -8 9 -4 65.5717 4.6020 1 8 9 4 66.4133 4.4055 1 8 9 4 60.0826 4.3515 8 8 9 4 68.2109 3.6968 2 9 -9 4 0.12653 1.76237 1 9 -9 4 1.35965 1.45060 2 9 -9 4 -0.2763 1.5347 8 -9 -9 -4 1.14379 1.53136 3 9 9 4 -0.4792 1.1820 2 9 9 4 1.98182 1.66572 8 -9 9 -4 -0.7326 1.6027 1 9 9 4 0.72581 1.65840 1 10 -9 4 56.6917 4.9914 8 10 -9 4 49.0296 4.5032 1 10 9 4 46.5123 4.2461 1 10 9 4 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2 -5 1861.95 44.97 9 -1 2 -5 1828.92 44.89 7 -1 2 -5 1797.58 45.01 9 -1 2 -5 1875.57 42.33 6 1 2 5 1861.17 43.97 7 2 -2 5 5577.66 130.57 7 2 -2 5 5257.51 134.94 9 2 -2 5 5658.92 123.27 8 2 -2 5 5401.15 117.72 2 -2 -2 -5 5618.60 129.70 7 2 -2 5 5504.55 133.58 9 2 -2 5 5585.44 131.12 5 2 2 5 5592.29 129.75 7 -2 2 -5 5301.71 135.09 9 2 2 5 5570.32 122.80 8 -2 2 -5 5461.94 130.62 7 -2 2 -5 5535.17 133.13 9 2 2 5 5486.97 133.10 9 2 2 5 5691.28 134.26 9 2 2 5 5632.24 122.79 6 3 -2 5 259.463 8.267 7 3 -2 5 248.223 7.620 9 3 -2 5 247.215 7.132 8 3 -2 5 250.074 7.720 9 3 -2 5 248.145 8.096 5 -3 -2 -5 245.526 7.526 7 3 -2 5 257.170 6.539 2 3 2 5 245.068 7.136 9 3 2 5 253.614 7.669 7 3 2 5 245.745 7.114 9 3 2 5 244.012 6.642 8 -3 2 -5 246.566 7.434 9 -3 2 -5 243.582 7.214 9 -3 2 -5 247.051 8.182 7 -4 -2 -5 1884.80 45.96 7 4 -2 5 1967.77 47.37 9 4 -2 5 1909.24 43.61 8 4 -2 5 1900.23 46.79 5 4 -2 5 1856.62 41.11 2 4 -2 5 1883.33 47.12 9 4 -2 5 1931.86 46.81 7 -4 2 -5 1752.33 46.50 9 -4 2 -5 1875.08 46.87 9 -4 2 -5 1846.50 46.68 7 4 2 5 1901.78 40.21 2 4 2 5 1893.03 46.08 7 4 2 5 1761.23 46.64 9 4 2 5 1913.27 43.21 8 4 2 5 1939.22 46.78 9 -5 -2 -5 57.8839 2.0072 9 5 -2 5 54.9397 2.7011 2 5 -2 5 54.7015 3.1735 9 5 -2 5 56.0657 3.1315 9 5 -2 5 58.5912 3.1268 8 -5 -2 -5 58.5824 2.0193 9 -5 -2 -5 54.9940 3.1618 7 5 -2 5 63.8329 3.7777 7 5 2 5 52.4641 3.3005 7 5 2 5 55.7558 2.9943 9 5 2 5 58.1634 3.0184 9 -5 2 -5 57.6242 2.8305 9 -5 2 -5 61.2555 3.6654 7 -5 2 -5 56.8611 3.0104 9 5 2 5 57.1703 2.2469 2 5 2 5 63.5186 3.0030 8 6 -2 5 4.40562 1.29982 8 -6 -2 -5 6.42643 0.93734 9 -6 -2 -5 6.72700 0.89437 9 6 -2 5 5.85919 1.17164 2 6 -2 5 4.44456 1.26416 9 6 -2 5 3.72600 1.35726 1 6 -2 5 7.40127 1.50531 9 6 -2 5 6.67060 1.62488 7 -6 -2 -5 5.99161 1.50373 7 -6 2 -5 5.54367 1.27506 9 -6 2 -5 5.49090 1.14838 9 6 2 5 4.23151 1.41041 7 6 2 5 6.84696 1.39542 8 6 2 5 7.31824 1.45644 9 6 2 5 6.01790 1.03413 2 6 2 5 9.11517 1.48809 9 -6 2 -5 7.35966 1.70152 7 7 -2 5 30.0142 2.7322 1 -7 -2 -5 24.3618 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35.73 6 -2 3 5 1524.61 33.97 8 -2 3 5 1539.71 36.24 5 2 3 -5 1526.58 37.78 9 -1 -3 5 138.707 4.623 9 -1 -3 5 140.923 3.793 2 -1 -3 5 135.792 4.962 7 -1 -3 5 145.275 4.974 5 -1 -3 5 133.799 4.320 8 -1 -3 5 128.545 4.554 9 -1 3 5 137.736 4.057 5 -1 3 5 133.141 3.816 7 1 3 -5 130.958 4.400 9 1 3 -5 138.463 4.931 5 1 3 -5 137.111 4.458 9 1 3 -5 136.887 4.721 6 0 -3 5 221.231 6.759 9 0 -3 5 220.174 6.784 9 0 -3 5 226.422 7.273 7 0 -3 5 220.937 7.051 5 0 -3 5 228.073 6.372 8 0 -3 5 222.383 5.664 2 0 3 -5 222.681 6.587 9 0 3 -5 227.849 6.624 9 0 3 5 226.542 5.962 7 0 3 -5 236.405 7.291 7 0 3 -5 210.980 7.034 5 0 3 -5 233.175 6.744 6 1 -3 5 1800.72 44.46 7 1 -3 5 1822.81 39.15 2 -1 -3 -5 1854.17 43.08 7 1 -3 5 1794.15 41.56 8 1 -3 5 1777.32 44.43 5 1 -3 5 1781.29 44.99 9 1 -3 5 1766.32 44.96 9 -1 3 -5 1768.60 44.40 7 -1 3 -5 1896.87 44.77 9 1 3 5 1879.82 43.71 9 -1 3 -5 1738.71 44.46 5 -1 3 -5 1812.83 44.72 9 1 3 5 1849.52 43.75 9 1 3 5 1845.02 43.13 7 1 3 5 1805.88 40.37 8 2 -3 5 2889.61 65.00 8 2 -3 5 2926.82 70.42 9 2 -3 5 2881.14 69.24 5 2 -3 5 2779.69 70.33 9 2 -3 5 2807.55 61.43 2 2 -3 5 2813.22 69.10 7 -2 -3 -5 2918.31 67.85 7 2 3 5 2911.68 69.34 9 2 3 5 2944.10 67.99 7 -2 3 -5 2809.67 70.07 9 -2 3 -5 2806.30 69.17 7 2 3 5 2931.12 69.51 9 2 3 5 2828.07 64.09 8 -2 3 -5 2889.21 70.02 9 3 -3 5 429.662 12.719 5 3 -3 5 438.879 12.539 9 -3 -3 -5 449.791 11.940 7 3 -3 5 413.510 12.473 9 3 -3 5 449.446 10.750 2 3 -3 5 455.770 13.038 7 3 -3 5 442.017 11.694 8 3 3 5 442.209 11.961 9 3 3 5 440.569 11.100 8 -3 3 -5 435.681 12.179 9 3 3 5 450.311 11.801 9 -3 3 -5 437.001 12.290 9 3 3 5 454.724 12.122 7 -3 3 -5 426.832 12.961 7 4 -3 5 58.4938 3.1269 9 4 -3 5 55.7701 2.9776 8 4 -3 5 56.8755 3.5005 7 4 -3 5 55.9782 2.6182 2 -4 -3 -5 54.3905 2.9096 7 4 -3 5 53.6072 3.0149 9 4 3 5 66.2938 2.9744 9 -4 3 -5 53.8490 2.8930 9 4 3 5 62.7005 3.1673 7 4 3 5 55.6452 1.8780 2 4 3 5 57.2178 2.6789 9 -4 3 -5 61.8441 2.9395 9 4 3 5 56.3233 2.7242 8 -4 3 -5 50.8647 3.3312 7 5 -3 5 9.60793 1.57578 9 5 -3 5 7.70309 1.39382 8 5 -3 5 6.48349 1.17103 2 5 -3 5 5.47127 1.50962 7 -5 -3 -5 5.94984 1.26480 7 5 -3 5 6.84090 1.60291 5 5 -3 5 4.19357 1.17046 9 5 -3 5 5.66833 1.38572 1 -5 3 -5 4.46231 1.12141 8 5 3 5 5.69218 1.11705 9 -5 3 -5 6.09522 1.26548 9 -5 3 -5 4.94868 1.41630 7 5 3 5 4.95530 1.14195 8 -5 3 -5 5.29109 1.16932 9 5 3 5 6.02704 1.20205 9 5 3 5 5.12376 1.38905 7 5 3 5 5.52066 0.83236 2 6 -3 5 1.60645 1.20489 7 6 -3 5 0.94855 0.96139 9 6 -3 5 0.88248 0.95595 9 -6 -3 -5 0.92376 0.52791 9 6 -3 5 0.96508 1.03628 8 6 -3 5 0.89900 1.09768 1 6 -3 5 3.22048 1.04186 2 -6 -3 -5 -0.0015 0.4890 9 -6 -3 -5 0.50584 1.02505 7 -6 3 -5 -0.4489 1.0493 4 6 3 5 -0.0458 0.8785 8 6 3 5 0.90830 0.72985 2 -6 3 -5 1.31044 0.96244 8 6 3 5 1.87126 0.96354 9 -6 3 -5 0.17134 0.83969 9 6 3 5 0.63332 0.89802 9 -6 3 -5 -0.5310 1.0102 7 -6 3 -5 1.20826 0.92746 9 6 3 5 3.15387 1.29959 7 7 -3 5 157.584 6.696 9 7 -3 5 156.814 7.151 7 -7 -3 -5 153.981 4.878 9 -7 -3 -5 153.618 4.898 9 7 -3 5 153.559 6.190 8 7 -3 5 148.340 5.483 2 -7 -3 -5 160.995 6.510 7 -7 -3 -5 148.927 6.014 4 7 -3 5 161.198 6.579 9 7 -3 5 152.877 6.196 1 -7 3 -5 153.288 5.994 9 -7 3 -5 148.595 6.977 7 -7 3 -5 144.723 6.119 9 -7 3 -5 155.468 6.259 4 7 3 5 157.976 5.915 1 7 3 5 151.670 4.992 2 7 3 5 155.991 6.057 8 7 3 5 153.574 6.258 9 7 3 5 150.508 6.267 9 -8 -3 -5 18.1174 2.4236 4 8 -3 5 12.7701 2.1879 8 -8 -3 -5 14.3714 1.5123 9 8 -3 5 17.4746 2.4462 9 8 -3 5 15.5275 1.9918 2 -8 -3 -5 16.3916 2.3856 7 8 -3 5 12.8836 2.2870 1 8 3 5 10.8908 1.9866 8 -8 3 -5 15.9774 2.0576 9 8 3 5 11.9764 1.9962 1 -8 3 -5 14.2112 2.1566 1 8 3 5 12.5220 2.0493 9 -8 3 -5 16.0506 2.1830 9 8 3 5 16.2130 2.1578 9 -8 3 -5 19.5836 2.4785 4 -8 3 -5 12.4819 2.3655 7 8 3 5 15.1985 1.8474 2 -9 -3 -5 395.474 13.478 7 9 -3 5 402.693 13.897 9 9 -3 5 397.899 12.832 1 9 -3 5 403.780 13.000 8 -9 -3 -5 420.874 11.720 9 9 -3 5 401.765 11.667 2 9 3 5 427.315 12.878 8 -9 3 -5 405.896 11.748 1 9 3 5 398.625 13.434 9 9 3 5 404.261 11.298 2 -9 3 -5 402.138 14.311 7 9 3 5 417.532 12.496 1 -10 -3 -5 217.227 7.225 9 10 -3 5 220.440 7.712 2 10 -3 5 215.659 8.877 8 -10 -3 -5 224.002 9.226 7 10 -3 5 207.071 8.587 1 10 3 5 211.508 8.872 9 10 3 5 205.484 8.198 1 -10 3 -5 205.231 7.549 1 10 3 5 216.278 8.515 8 10 3 5 209.195 7.351 2 11 -3 5 11.1036 2.4171 8 11 -3 5 14.6932 2.3564 2 11 -3 5 13.2789 2.7303 1 11 3 5 8.23812 1.92968 2 -11 3 -5 14.2242 2.3114 1 11 3 5 11.5303 2.5099 1 11 3 5 11.1769 2.5186 8 12 -3 5 67.2949 5.2837 1 12 -3 5 75.3796 4.6040 2 12 -3 5 73.2629 5.4733 8 12 3 5 67.5042 5.0627 1 12 3 5 68.9296 5.0348 8 12 3 5 75.5080 4.5212 2 13 -3 5 274.060 11.356 8 13 -3 5 275.571 9.710 2 13 -3 5 242.657 10.645 1 13 3 5 264.055 9.499 2 13 3 5 270.366 10.931 8 13 3 5 258.088 10.567 1 14 -3 5 12.4912 3.1303 8 14 -3 5 12.9185 3.2581 1 14 -3 5 10.4636 2.5180 2 14 3 5 10.9648 2.9746 1 14 3 5 12.8611 2.5444 2 14 3 5 5.22280 2.29368 8 15 -3 5 53.4437 4.4372 2 15 -3 5 66.1986 5.9189 1 15 -3 5 69.7309 6.0176 8 15 3 5 52.8325 4.4619 2 15 3 5 53.4642 5.1792 8 15 3 5 61.7448 5.5863 1 16 -3 5 18.9175 3.9378 8 16 -3 5 12.1009 2.7719 2 16 -3 5 8.92309 3.29767 1 16 3 5 11.1573 2.6859 2 16 3 5 7.32306 2.89246 8 16 3 5 10.2248 3.1990 1 17 -3 5 32.8315 4.9953 1 17 -3 5 30.4617 5.0421 8 17 3 5 23.3314 4.3557 1 17 3 5 23.9695 4.4695 8 17 3 5 24.6916 3.6553 2 18 -3 5 73.0994 6.8935 1 18 -3 5 80.7151 7.2154 8 18 3 5 83.4338 7.0245 8 18 3 5 78.7365 5.8832 2 18 3 5 80.5856 7.1330 1 19 -3 5 19.9310 4.7593 8 19 -3 5 19.0764 4.3981 1 19 3 5 16.4499 4.2592 1 19 3 5 19.6092 4.3384 8 20 -3 5 0.78066 3.00585 8 20 -3 5 -2.6752 2.8747 1 20 3 5 -3.1612 2.2883 8 20 3 5 0.78831 3.22470 1 23 -4 -5 12.5275 4.0111 1 23 4 -5 10.1726 3.9453 1 -23 4 5 8.14744 3.78652 1 22 -4 -5 114.421 7.920 1 -22 -4 5 106.636 7.958 1 -22 4 5 109.389 8.226 1 22 4 -5 102.552 7.954 1 -21 -4 5 11.6755 3.8081 1 21 -4 -5 1.93140 2.80531 1 21 4 -5 5.62200 3.22741 1 -21 4 5 1.19618 2.86857 1 20 -4 -5 133.447 8.317 1 -20 -4 5 137.576 8.808 1 20 4 -5 154.290 8.974 1 -20 4 5 162.817 9.527 1 -19 -4 5 150.790 8.677 1 19 -4 -5 123.590 7.927 1 -19 4 5 124.898 8.290 8 19 4 -5 127.993 8.133 1 -19 4 5 135.952 8.377 1 19 4 -5 137.645 8.483 8 -18 -4 5 26.8871 4.2481 1 18 -4 -5 22.1921 3.8033 1 -18 4 5 19.4425 3.9133 8 -18 4 5 32.9068 4.8580 1 18 4 -5 25.4595 4.1373 1 18 4 -5 22.8856 4.0166 8 -17 -4 5 15.8781 3.5015 1 17 -4 -5 16.3326 3.3529 1 17 4 -5 16.2428 3.4802 1 -17 4 5 13.7125 3.2292 8 -17 4 5 17.1525 3.5664 1 17 4 -5 17.0649 3.4915 8 -16 -4 5 114.230 6.864 8 16 -4 -5 103.439 6.435 1 -16 -4 5 93.3843 6.4994 1 -16 -4 5 109.844 6.762 1 -16 4 5 111.296 6.906 1 -16 4 5 119.250 7.136 8 16 4 -5 113.784 6.923 1 16 4 -5 110.577 6.785 8 -15 -4 5 222.936 9.730 1 15 -4 -5 220.101 9.371 1 -15 -4 5 230.482 9.717 1 -15 -4 5 237.138 10.057 8 -15 4 5 246.432 9.989 1 15 4 -5 222.733 9.782 8 15 4 -5 226.729 9.706 1 -15 4 5 226.080 10.079 8 -14 -4 5 79.0994 5.2828 8 -14 -4 5 64.5418 5.0135 1 14 -4 -5 67.4042 4.9194 9 14 -4 -5 67.3756 4.7938 8 14 -4 -5 76.5064 5.1587 1 -14 4 5 74.3345 5.4291 8 14 4 -5 75.2000 5.1574 8 14 4 -5 71.2695 5.2066 1 -14 4 5 76.3367 4.3600 2 14 4 -5 77.5721 4.9754 6 -14 4 5 72.4252 5.2897 1 13 -4 -5 3.51302 1.71564 9 -13 -4 5 0.52862 1.57715 8 13 -4 -5 2.76456 1.58788 8 -13 -4 5 1.16266 1.78558 1 13 -4 -5 2.28969 1.57392 1 13 4 -5 5.26500 2.02444 1 -13 4 5 2.83785 1.72424 8 13 4 -5 3.28331 1.69096 8 -13 4 5 1.08948 1.32832 2 13 4 -5 1.16509 1.44959 6 -13 4 5 -0.6296 1.4052 1 -12 -4 5 1011.92 26.87 1 -12 -4 5 1033.40 24.87 2 12 -4 -5 1028.27 26.95 8 -12 -4 5 988.729 29.459 9 12 -4 -5 1027.41 26.62 1 -12 -4 5 1034.30 27.71 8 12 -4 -5 1070.26 29.16 9 -12 4 5 1039.91 25.12 2 12 4 -5 1049.29 29.42 9 12 4 -5 1020.33 27.06 1 12 4 -5 1032.01 27.30 6 -12 4 5 1035.21 27.75 8 -12 4 5 1037.37 27.04 1 12 4 -5 1071.48 27.56 8 -12 4 5 1053.14 29.60 7 11 -4 -5 1668.49 42.96 9 -11 -4 5 1716.08 43.44 9 -11 -4 5 1594.55 40.43 8 11 -4 -5 1593.81 42.82 9 -11 -4 5 1621.90 39.67 1 -11 -4 5 1578.23 43.41 9 -11 -4 5 1633.95 37.11 2 11 -4 -5 1650.27 39.76 8 11 -4 -5 1628.85 39.20 1 -11 4 5 1625.36 43.37 9 -11 4 5 1545.11 39.52 1 -11 4 5 1634.38 40.49 8 11 4 -5 1640.05 43.23 9 11 4 -5 1586.89 39.69 1 11 4 -5 1625.68 37.14 2 11 4 -5 1578.03 40.05 8 -11 4 5 1674.64 43.05 7 -11 4 5 1655.24 37.40 2 -11 4 5 1654.17 43.55 9 11 4 -5 1674.51 40.37 6 10 -4 -5 33.8680 2.8945 9 -10 -4 5 29.4251 2.9012 9 -10 -4 5 31.5578 2.4441 2 -10 -4 5 37.2643 3.2578 8 -10 -4 5 26.7567 2.7153 9 10 -4 -5 27.9781 2.6077 9 10 -4 -5 33.9002 2.7128 8 10 -4 -5 32.5662 2.8141 1 -10 -4 5 26.9254 2.8441 1 10 4 -5 37.2702 3.0774 9 10 4 -5 28.1838 2.9022 6 -10 4 5 34.0197 2.5515 2 -10 4 5 29.5598 2.8425 8 -10 4 5 31.9382 3.1143 7 -10 4 5 32.3731 2.9963 9 10 4 -5 38.9217 2.5782 2 -10 4 5 34.8082 3.0791 9 10 4 -5 32.3900 2.9362 1 10 4 -5 32.0690 3.0061 9 -10 4 5 29.0222 3.1733 1 10 4 -5 36.9787 3.0836 8 -9 -4 5 21.7164 2.0075 2 -9 -4 5 28.2646 2.7431 9 9 -4 -5 23.2824 2.1802 1 -9 -4 5 24.2451 2.4621 9 9 -4 -5 25.3202 2.2527 9 9 -4 -5 24.0977 2.3447 8 9 -4 -5 25.0025 2.3902 9 -9 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8.30236 1.45881 9 -7 4 5 10.3147 1.3701 2 -7 4 5 11.9061 1.8290 7 7 4 -5 10.1090 1.6131 1 7 4 -5 10.4425 1.5861 8 7 4 -5 7.50559 1.43564 9 -7 4 5 7.16438 1.50710 9 7 4 -5 9.72730 1.71981 6 -6 -4 5 160.776 4.945 2 -6 -4 5 160.329 5.991 9 -6 -4 5 154.583 6.015 9 -6 -4 5 157.913 5.982 9 -6 -4 5 162.273 5.808 8 6 -4 -5 168.721 5.537 9 6 -4 -5 162.335 5.280 9 6 4 -5 160.193 5.949 9 -6 4 5 162.934 5.712 9 -6 4 5 163.630 6.012 9 6 4 -5 155.640 5.913 6 -6 4 5 158.404 4.785 2 6 4 -5 159.619 5.551 8 -6 4 5 162.499 5.994 7 -5 -4 5 1.97759 1.02494 9 5 -4 -5 2.56806 0.86947 9 -5 -4 5 -0.3288 0.9341 8 -5 -4 5 2.36409 1.12356 9 -5 -4 5 2.13071 0.87024 2 5 -4 -5 4.30937 0.89385 9 -5 4 5 3.05368 0.79639 2 5 4 -5 3.20237 1.24304 6 5 4 -5 1.69367 0.99273 9 -5 4 5 2.03794 0.89281 9 5 4 -5 0.79907 0.93092 8 -5 4 5 5.36179 1.28098 9 -5 4 5 1.25019 1.00517 7 5 4 -5 1.90499 1.01382 9 4 -4 -5 7.76387 0.61228 5 4 -4 -5 8.38511 0.73118 9 -4 -4 5 8.82450 1.16684 2 -4 -4 5 9.13765 1.37419 8 4 -4 -5 9.38123 0.81097 9 -4 -4 5 8.28718 1.25554 9 -4 -4 5 5.98542 1.15928 9 -4 4 5 9.63812 1.06669 9 4 4 -5 10.3781 1.4069 8 4 4 -5 7.80303 1.25750 9 4 4 -5 7.70707 1.27239 9 -4 4 5 8.66119 1.18215 9 -4 4 5 9.02429 0.88542 2 -4 4 5 8.89497 1.24895 7 4 4 -5 7.43896 1.34395 6 -3 -4 5 925.347 22.582 8 -3 -4 5 957.234 21.003 2 -3 -4 5 926.744 24.332 9 -3 -4 5 921.274 24.329 9 -3 4 5 926.608 23.476 9 3 4 -5 942.204 24.239 9 -3 4 5 970.891 23.733 9 3 4 -5 912.708 24.168 9 3 4 -5 965.873 22.412 8 3 4 -5 896.169 23.985 5 -3 4 5 950.085 21.742 8 -3 4 5 949.770 22.985 7 3 4 -5 930.608 23.116 6 -2 -4 5 106.715 4.145 9 -2 -4 5 111.154 4.420 7 -2 -4 5 106.221 3.952 8 -2 -4 5 106.116 3.418 2 -2 -4 5 109.853 4.207 9 2 4 -5 109.443 4.048 9 -2 4 5 109.409 3.046 5 2 4 -5 106.126 4.263 6 -2 4 5 107.138 3.130 8 -2 4 5 110.854 3.368 9 -2 4 5 109.748 3.456 9 2 4 -5 112.857 3.861 8 2 4 -5 105.927 4.283 5 2 4 -5 108.875 4.057 9 -1 -4 5 142.135 4.079 2 -1 -4 5 144.522 4.726 8 -1 -4 5 137.951 5.087 5 -1 -4 5 135.017 4.896 9 -1 -4 5 143.258 4.974 9 -1 -4 5 140.281 5.217 7 -1 4 5 141.783 3.925 9 -1 4 5 142.744 3.609 7 1 4 -5 133.620 4.727 9 -1 4 5 145.476 3.979 9 -1 4 5 136.641 4.028 5 1 4 -5 135.348 4.480 8 1 4 -5 134.419 5.086 5 1 4 -5 141.697 5.025 6 -1 4 5 137.423 3.636 8 1 4 -5 136.525 4.797 9 0 -4 5 430.261 11.351 8 0 -4 5 442.755 12.259 9 0 -4 5 424.292 12.166 9 0 -4 5 435.382 12.452 7 0 -4 5 417.179 10.320 2 0 -4 5 451.242 12.303 5 0 4 5 445.880 11.005 9 0 4 -5 426.018 12.248 5 0 4 5 439.585 10.964 9 0 4 5 422.791 10.140 8 0 4 -5 444.366 12.047 9 0 4 5 448.974 10.563 7 0 4 -5 425.911 11.988 9 1 -4 5 1074.79 23.93 2 1 -4 5 1074.10 27.42 5 -1 -4 -5 1093.18 25.69 7 1 -4 5 1073.63 27.69 9 1 -4 5 1093.21 25.67 8 1 -4 5 1057.62 27.54 7 1 -4 5 1058.93 27.65 9 -1 4 -5 1067.94 27.56 7 -1 4 -5 1076.83 27.44 9 -1 4 -5 1033.30 27.41 5 1 4 5 1079.96 25.82 7 1 4 5 1115.80 26.48 9 1 4 5 1102.82 26.58 9 1 4 5 1077.86 24.53 8 -1 4 -5 1058.00 27.42 9 2 -4 5 28.9801 2.3385 7 -2 -4 -5 33.1767 1.6562 7 2 -4 5 31.3889 2.1688 9 2 -4 5 29.6296 2.0245 8 2 -4 5 29.2456 2.1039 9 2 -4 5 30.3916 2.2771 5 2 -4 5 32.8962 1.8508 2 2 4 5 33.7675 1.5993 9 2 4 5 30.3228 1.6524 9 -2 4 -5 32.0937 2.0148 9 2 4 5 30.1295 1.6385 8 -2 4 -5 27.3890 1.9321 9 -2 4 -5 33.4118 2.4972 7 2 4 5 31.6070 1.7548 7 3 -4 5 64.1753 3.3120 9 3 -4 5 64.7304 2.7670 2 -3 -4 -5 68.1027 2.8569 7 3 -4 5 66.7039 3.5299 5 3 -4 5 62.5883 3.1810 8 3 -4 5 67.3419 3.3769 9 3 -4 5 71.1904 3.8167 7 3 4 5 64.9125 2.8973 9 -3 4 -5 70.1512 3.2241 9 3 4 5 72.1042 3.0786 7 3 4 5 64.3641 2.7891 8 -3 4 -5 68.7524 3.8173 7 -3 4 -5 65.0120 3.1760 9 3 4 5 69.0867 2.7736 9 -4 -4 -5 4.12180 1.33258 4 4 -4 5 2.40969 0.93819 8 -4 -4 -5 -0.3803 0.6952 7 4 -4 5 1.27415 0.69370 2 4 -4 5 1.63741 0.97306 5 4 -4 5 0.25482 0.92690 1 4 -4 5 0.95512 0.97106 7 4 -4 5 0.81215 0.78094 9 4 -4 5 1.55197 0.87136 9 -4 4 -5 0.99834 0.80187 9 4 4 5 1.81433 0.50828 2 4 4 5 0.91779 0.72886 8 4 4 5 0.62464 0.70731 9 -4 4 -5 3.16481 1.00954 9 4 4 5 1.47079 0.71387 9 -4 4 -5 1.71432 1.07841 7 5 -4 5 1939.16 49.48 9 5 -4 5 1932.54 45.90 8 5 -4 5 1975.44 49.16 7 5 -4 5 1906.15 45.39 1 -5 -4 -5 1967.26 47.65 7 5 -4 5 1982.65 48.93 5 5 -4 5 1889.60 49.55 9 -5 -4 -5 1952.56 48.55 4 5 -4 5 1961.50 43.15 2 5 4 5 1965.27 48.76 9 5 4 5 1970.19 49.03 9 -5 4 -5 1982.55 49.30 9 -5 4 -5 1948.14 49.11 7 5 4 5 1990.38 42.12 2 -5 4 -5 1900.38 49.02 9 5 4 5 1868.06 45.28 8 -5 4 -5 1943.18 45.51 8 -5 4 -5 1979.75 48.76 4 6 -4 5 1309.70 35.54 9 6 -4 5 1333.83 32.54 1 6 -4 5 1299.47 30.69 2 6 -4 5 1354.14 35.44 7 -6 -4 -5 1349.57 34.06 7 6 -4 5 1326.42 35.37 9 -6 -4 -5 1356.54 32.66 9 6 -4 5 1373.59 33.00 8 -6 -4 -5 1347.87 34.45 4 6 -4 5 1372.36 35.16 5 -6 4 -5 1338.86 32.47 8 6 4 5 1322.35 34.87 9 6 4 5 1346.41 34.72 9 -6 4 -5 1389.80 34.79 4 -6 4 -5 1315.48 34.80 9 6 4 5 1336.69 31.73 1 6 4 5 1364.42 29.83 2 -6 4 -5 1307.47 34.99 9 -6 4 -5 1321.71 35.39 7 6 4 5 1372.43 32.50 8 -7 -4 -5 14.0519 2.0619 4 -7 -4 -5 8.29844 1.00671 9 7 -4 5 9.80207 1.92559 9 -7 -4 -5 8.85249 0.99439 9 7 -4 5 7.42302 1.50054 2 7 -4 5 5.86876 1.62735 8 7 -4 5 11.0966 1.9200 1 -7 -4 -5 10.6893 1.8617 7 7 -4 5 9.54106 1.85412 9 -7 4 -5 9.28895 1.71882 9 7 4 5 6.64855 1.20947 2 7 4 5 9.07561 1.72873 8 7 4 5 7.94898 1.61510 1 -7 4 -5 10.5734 1.9684 4 7 4 5 8.89523 1.67668 9 -7 4 -5 11.4523 2.1745 7 -7 4 -5 7.73195 1.54418 9 7 4 5 9.97125 1.71018 9 -7 4 -5 10.1562 1.6237 1 8 -4 5 265.852 8.645 2 8 -4 5 280.323 10.451 9 8 -4 5 296.838 9.998 8 -8 -4 -5 279.108 9.396 4 -8 -4 -5 277.644 9.887 7 -8 -4 -5 283.270 8.109 9 8 -4 5 267.863 9.548 1 8 4 5 286.376 9.217 1 -8 4 -5 281.519 9.961 9 8 4 5 282.712 9.977 9 -8 4 -5 271.816 8.795 1 8 4 5 275.127 9.424 8 8 4 5 278.847 8.130 2 8 4 5 273.777 9.884 9 -8 4 -5 285.812 9.629 4 -8 4 -5 283.006 9.673 9 -9 -4 -5 315.758 11.131 7 9 -4 5 314.956 9.768 2 9 -4 5 323.382 10.896 1 9 -4 5 313.961 10.929 8 -9 -4 -5 311.043 9.119 9 9 -4 5 321.197 11.722 9 9 4 5 316.364 9.243 2 9 4 5 313.733 11.190 9 9 4 5 280.351 10.001 1 9 4 5 303.505 10.497 8 -9 4 -5 303.617 9.780 1 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2.6073 6 -9 5 5 21.8736 2.5565 9 9 5 -5 17.3046 2.4782 1 9 5 -5 24.6228 2.6096 8 9 5 -5 25.6152 2.2431 2 -9 5 5 17.4248 2.3872 1 -8 -5 5 449.210 13.692 9 -8 -5 5 434.529 12.902 8 -8 -5 5 430.802 13.737 9 -8 -5 5 434.816 12.458 1 8 -5 -5 411.873 12.753 9 8 -5 -5 430.079 12.197 8 -8 -5 5 433.090 11.387 2 8 -5 -5 436.942 13.146 9 8 5 -5 448.580 11.502 2 -8 5 5 436.705 11.540 2 8 5 -5 443.188 12.696 8 -8 5 5 459.299 13.533 9 -8 5 5 442.869 13.748 9 8 5 -5 446.623 13.631 9 -8 5 5 458.973 13.724 7 8 5 -5 438.006 12.999 6 8 5 -5 451.184 13.719 9 -8 5 5 444.050 12.530 1 8 5 -5 442.007 12.539 1 -7 -5 5 743.423 17.591 2 -7 -5 5 734.895 18.869 1 7 -5 -5 742.837 20.066 9 -7 -5 5 717.281 20.628 9 -7 -5 5 754.696 20.863 9 7 -5 -5 694.377 19.678 9 -7 -5 5 743.433 19.386 8 7 -5 -5 743.062 18.599 8 -7 5 5 750.327 20.294 7 7 5 -5 761.100 20.661 9 7 5 -5 756.292 18.941 1 -7 5 5 754.694 20.369 9 7 5 -5 739.501 19.579 6 7 5 -5 746.850 19.150 8 -7 5 5 750.949 17.679 2 -7 5 5 773.857 20.817 9 -7 5 5 693.919 18.689 1 6 -5 -5 114.773 4.260 9 -6 -5 5 121.415 5.155 9 6 -5 -5 114.712 4.480 9 -6 -5 5 117.005 5.048 9 -6 -5 5 107.684 4.871 9 -6 -5 5 114.048 4.793 8 -6 -5 5 122.055 4.173 2 -6 -5 5 122.168 4.687 1 -6 5 5 127.246 5.089 9 -6 5 5 122.205 4.093 2 6 5 -5 109.085 4.823 9 -6 5 5 120.053 4.891 7 6 5 -5 124.512 5.113 6 6 5 -5 119.419 4.681 1 6 5 -5 117.708 4.727 8 -6 5 5 117.070 4.679 9 5 -5 -5 172.917 5.618 9 -5 -5 5 181.168 5.334 2 -5 -5 5 166.842 5.842 1 -5 -5 5 182.329 6.200 8 -5 -5 5 176.297 6.422 9 -5 -5 5 181.023 6.538 9 5 -5 -5 171.803 5.437 9 -5 5 5 183.717 6.015 9 -5 5 5 176.701 5.070 2 -5 5 5 183.236 6.261 9 5 5 -5 179.587 6.012 8 5 5 -5 171.975 6.278 9 5 5 -5 170.339 6.352 6 -5 5 5 174.992 5.973 7 -4 -5 5 710.124 19.862 9 -4 -5 5 757.803 18.609 8 4 -5 -5 745.804 18.470 9 4 -5 -5 737.194 18.575 9 -4 -5 5 732.227 19.945 9 -4 -5 5 735.504 17.042 2 -4 5 5 744.071 18.677 7 4 5 -5 712.066 18.306 8 -4 5 5 745.961 19.427 9 -4 5 5 723.045 16.502 2 -4 5 5 733.916 19.175 9 4 5 -5 736.181 19.015 6 4 5 -5 740.353 19.801 9 -3 -5 5 2527.28 62.85 9 -3 -5 5 2536.24 62.85 9 -3 -5 5 2612.43 54.79 2 -3 5 5 2616.03 59.86 7 3 5 -5 2490.30 58.79 6 3 5 -5 2566.50 62.74 9 3 5 -5 2486.11 61.54 5 3 5 -5 2486.33 57.89 8 3 5 -5 2486.61 62.70 9 -3 5 5 2488.99 53.84 2 -3 5 5 2590.52 62.09 9 -3 5 5 2556.48 57.21 8 -3 5 5 2484.26 61.87 9 -2 -5 5 1341.70 31.55 8 -2 -5 5 1353.95 34.09 9 -2 -5 5 1324.90 34.04 9 -2 -5 5 1277.82 29.41 2 -2 -5 5 1324.27 33.42 7 2 5 -5 1341.22 33.88 9 2 5 -5 1314.56 33.46 5 2 5 -5 1332.01 32.12 6 -2 5 5 1361.08 33.04 9 2 5 -5 1356.02 31.37 8 -2 5 5 1303.29 33.06 9 -2 5 5 1349.71 30.52 8 2 5 -5 1315.95 33.91 9 -2 5 5 1359.21 31.37 7 1 -5 -5 1.11850 0.95077 4 -1 -5 5 1.55282 0.74999 9 -1 -5 5 2.27374 0.86832 8 -1 -5 5 1.10268 0.73117 9 -1 -5 5 3.13310 0.74450 2 -1 -5 5 1.42706 0.95652 7 1 5 -5 1.56536 0.73895 9 1 5 -5 2.27870 0.96251 5 -1 5 5 1.39633 0.52630 9 1 5 -5 1.05018 0.71120 8 -1 5 5 1.67597 0.45511 5 -1 5 5 2.20903 0.56040 9 -1 5 5 2.16950 0.54669 8 1 5 -5 1.17331 0.70945 9 1 5 -5 -1.2830 0.6427 6 0 -5 5 32.8515 2.2748 9 0 -5 5 32.9924 2.2803 5 0 -5 5 36.2023 2.3208 9 0 -5 5 32.0055 1.8580 2 0 -5 -5 26.0941 2.4715 4 0 -5 5 34.0561 2.2585 8 0 -5 5 33.2270 2.4939 7 0 5 -5 33.3506 2.1456 9 0 5 -5 35.4002 2.0843 8 0 5 5 31.7706 1.5524 8 0 5 -5 30.5300 2.2394 5 0 5 5 33.5865 1.6021 9 0 5 -5 32.9056 2.1446 9 0 5 5 32.5047 1.5847 9 1 -5 5 502.160 13.174 8 -1 -5 -5 468.875 14.356 4 1 -5 5 468.598 13.974 9 1 -5 5 494.358 11.997 2 1 -5 5 505.877 14.312 7 1 -5 5 501.565 14.130 9 1 -5 5 486.784 13.926 5 -1 5 -5 486.247 14.221 7 -1 5 -5 499.459 14.067 5 -1 5 -5 493.260 13.868 9 -1 5 -5 506.867 13.959 9 1 5 5 503.535 13.035 9 1 5 5 507.945 12.080 8 1 5 5 514.969 13.030 9 1 5 5 504.913 12.974 9 2 -5 5 142.161 5.394 9 2 -5 5 146.981 5.534 5 -2 -5 -5 134.589 5.818 4 2 -5 5 134.431 4.412 2 2 -5 5 131.349 5.025 8 -2 -5 -5 144.740 4.104 7 2 -5 5 140.612 5.420 9 2 -5 5 136.967 5.680 7 -2 5 -5 133.523 5.157 9 -2 5 -5 137.983 5.189 9 -2 5 -5 135.411 5.670 7 2 5 5 142.948 4.541 9 2 5 5 140.946 4.331 8 2 5 5 145.179 4.674 9 -3 -5 -5 2.72897 0.71560 7 3 -5 5 1.12162 0.65696 2 3 -5 5 0.80379 0.82912 5 3 -5 5 -0.1134 0.7159 9 3 -5 5 -0.4675 0.7997 1 3 -5 5 2.83467 1.24504 7 3 -5 5 2.17729 0.95589 8 3 -5 5 1.94146 0.97077 9 -3 -5 -5 0.74652 0.59181 3 -3 -5 -5 1.50585 1.09502 4 -3 5 -5 0.24861 0.89338 7 3 5 5 1.70010 0.71921 8 -3 5 -5 2.07056 0.88434 9 3 5 5 0.83914 0.67647 9 3 5 5 1.24129 0.66687 9 3 5 5 0.62854 0.38318 2 -3 5 -5 0.97443 0.71246 9 4 -5 5 14.5888 2.0699 7 4 -5 5 15.1765 1.8617 1 4 -5 5 14.8120 1.8386 9 -4 -5 -5 20.2179 1.7999 3 4 -5 5 21.8217 2.0833 8 -4 -5 -5 14.9606 2.3292 4 4 -5 5 13.5280 1.8889 5 4 -5 5 18.4641 1.7355 2 -4 -5 -5 16.3005 1.5633 7 4 -5 5 17.3180 1.8910 9 4 5 5 16.9121 1.7068 8 -4 5 -5 18.1519 1.8166 9 4 5 5 17.2116 1.5626 9 4 5 5 17.0474 1.6687 9 4 5 5 17.5402 1.1979 2 -4 5 -5 15.9557 2.0846 7 4 5 5 18.3842 0.9653 6 -4 5 -5 16.2736 1.8217 9 -5 -5 -5 20.4982 2.6634 4 5 -5 5 19.1947 2.0275 2 -5 -5 -5 23.6258 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2 -9 58.0423 3.3318 6 -2 -2 9 469.916 11.595 8 2 -2 -9 436.514 14.063 4 -2 -2 9 418.637 13.161 7 -2 -2 9 454.367 12.386 9 -2 -2 9 472.771 12.442 9 2 -2 -9 439.458 12.556 6 -2 -2 9 448.763 10.216 2 -2 -2 9 447.148 13.204 5 2 2 -9 442.519 13.280 5 2 2 -9 465.101 14.376 4 -2 2 9 455.617 12.550 5 -2 2 9 451.936 12.468 7 2 2 -9 451.725 12.680 6 -1 -2 9 6872.64 165.15 9 -1 -2 9 6812.07 162.02 7 -1 -2 9 6830.72 162.54 5 1 -2 -9 6598.70 163.89 4 -1 -2 9 6969.47 152.43 8 -1 -2 9 7086.36 165.20 9 -1 -2 9 6833.49 144.71 2 -1 2 9 6900.24 160.85 7 1 2 -9 6896.17 154.30 6 1 2 -9 6630.88 164.02 4 -1 2 9 6893.70 161.90 5 1 2 -9 6788.72 162.75 5 0 -2 9 2395.39 58.78 7 0 -2 9 2295.03 58.78 5 0 -2 9 2395.38 54.38 8 0 -2 9 2411.85 51.06 2 0 -2 9 2395.58 58.85 9 0 -2 -9 2334.20 59.97 4 0 -2 9 2443.68 58.89 9 0 2 9 2417.91 57.72 7 0 2 -9 2473.13 55.60 6 0 2 -9 2359.04 60.08 4 0 2 9 2359.83 58.22 5 -1 -2 -9 0.45417 0.38329 3 -1 -2 -9 -0.2507 1.1053 4 1 -2 9 4.66472 0.78513 2 1 -2 9 0.06112 1.08544 7 1 -2 9 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30.8226 3.3081 7 -5 2 -10 35.4942 3.8788 4 5 2 10 29.5795 2.5625 8 5 2 10 29.5411 1.8411 2 5 2 10 28.6381 2.4299 9 6 -2 10 61.4363 3.9825 8 6 -2 10 56.4241 3.9647 1 -6 -2 -10 62.1362 4.3225 7 6 -2 10 61.4584 3.4763 2 -6 -2 -10 58.8529 3.6217 3 -6 -2 -10 62.8670 4.8912 4 -6 2 -10 61.8666 4.9099 4 6 2 10 59.9998 2.9673 2 6 2 10 53.0743 3.6348 1 6 2 10 57.3918 3.6306 8 7 -2 10 181.999 7.545 8 7 -2 10 183.054 7.510 1 -7 -2 -10 203.771 8.499 7 -7 -2 -10 181.797 8.383 4 7 -2 10 189.015 6.797 2 -7 2 -10 181.327 8.444 4 7 2 10 188.171 7.353 8 7 2 10 184.380 7.164 1 7 2 10 182.086 6.250 2 -8 -2 -10 88.6034 5.6911 4 8 -2 10 80.5590 5.0897 1 8 -2 10 93.1012 5.4908 8 8 -2 10 90.4693 4.6246 2 8 2 10 76.0770 4.8570 8 8 2 10 82.9617 4.2180 2 8 2 10 85.9511 4.9873 1 -8 2 -10 94.5632 6.0607 4 9 -2 10 6.25635 2.20898 8 9 -2 10 3.59367 2.13992 1 9 -2 10 1.68792 1.52648 2 9 2 10 4.89152 1.66087 2 9 2 10 4.54768 1.92883 8 9 2 10 5.82443 2.12487 1 10 -2 10 2.98852 1.76637 2 10 -2 10 -1.2246 1.6990 8 10 -2 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14.660 1 -10 3 10 504.931 15.123 8 10 3 -10 538.188 16.442 6 -10 3 10 523.635 13.332 2 -10 3 10 520.339 16.090 9 -10 3 10 529.494 16.156 9 10 3 -10 531.340 15.747 9 10 3 -10 522.929 14.401 1 10 3 -10 537.789 15.364 9 10 3 -10 529.450 15.501 4 -9 -3 10 49.5852 3.4071 9 9 -3 -10 42.7959 1.6528 9 9 -3 -10 41.9271 2.9959 3 -9 -3 10 48.9382 3.3236 1 -9 -3 10 43.1159 2.7221 2 9 -3 -10 41.4046 3.5200 4 -9 -3 10 41.2684 3.3124 9 -9 -3 10 40.7490 3.3233 8 -9 3 10 43.7709 2.5476 2 9 3 -10 41.7738 2.7643 9 -9 3 10 41.2492 3.0597 9 9 3 -10 41.6611 3.6647 6 9 3 -10 45.1028 3.0560 9 -9 3 10 43.4473 3.1436 9 -9 3 10 42.9450 3.1759 1 -9 3 10 41.2770 2.4624 2 9 3 -10 42.6187 3.4939 4 -9 3 10 40.5905 3.0925 8 8 -3 -10 274.257 9.476 4 -8 -3 10 254.870 9.027 9 -8 -3 10 256.266 7.511 2 -8 -3 10 260.676 8.411 1 -8 -3 10 263.784 9.322 9 -8 -3 10 269.063 8.956 8 8 -3 -10 248.547 7.842 3 -8 -3 10 257.064 9.079 9 8 -3 -10 252.465 8.150 5 8 3 -10 256.819 8.327 9 -8 3 10 266.316 8.855 9 8 3 -10 263.888 8.721 9 8 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30.7749 3.1077 2 -5 -9 -10 36.2199 2.9584 3 5 9 10 29.5998 2.2863 2 -5 9 -10 34.1463 3.8012 6 5 9 10 25.5497 2.9084 8 -5 9 -10 26.9569 4.5137 4 -6 -9 -10 5.67323 1.81179 3 -6 -9 -10 3.95235 2.41583 4 6 -9 10 2.54806 2.12686 1 6 -9 10 4.97947 1.91405 2 6 -9 10 1.88758 1.87706 8 6 9 10 5.97372 1.91071 8 -6 9 -10 7.73349 2.95243 4 -6 9 -10 8.07286 2.36596 6 6 9 10 5.45711 1.42448 2 -7 -9 -10 30.5147 3.4464 3 7 -9 10 26.6034 3.9818 1 -7 -9 -10 30.6400 4.4261 4 7 -9 10 34.7750 4.0046 8 7 -9 10 27.4034 3.4116 2 7 9 10 32.4511 2.7833 2 7 9 10 34.5001 3.6269 8 -7 9 -10 29.7809 3.8006 6 -7 9 -10 37.0967 4.9981 4 -8 -9 -10 44.7957 4.0603 3 8 -9 10 44.8131 4.7887 8 8 -9 10 45.9283 4.2403 2 -8 -9 -10 50.9740 5.2640 4 8 -9 10 45.3757 5.1111 1 -8 9 -10 50.9448 5.7277 4 8 9 10 46.2943 4.1906 8 8 9 10 42.8490 3.2766 2 -9 -9 -10 4.25684 2.12263 3 9 -9 10 1.47727 2.41804 1 9 -9 10 3.86557 2.22896 2 9 -9 10 0.23698 2.07994 8 -9 9 -10 8.14497 3.03545 4 9 9 10 5.01010 1.79764 2 9 9 10 3.49533 2.04839 8 10 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2.6055 5 -4 4 11 33.3687 2.2439 7 4 4 -11 31.4640 1.7997 9 4 4 -11 31.8139 3.8589 4 -4 4 11 31.0451 1.5065 9 -3 -4 11 10.5082 1.7574 9 3 -4 -11 7.49310 2.12913 4 -3 -4 11 8.87253 1.60084 8 -3 -4 11 7.65499 1.48264 9 -3 -4 11 12.2479 2.2819 7 -3 -4 11 6.55753 1.15308 2 -3 -4 11 8.13480 1.50108 1 3 4 -11 8.36025 1.82892 5 3 4 -11 7.54685 0.87207 9 3 4 -11 8.63272 2.39442 4 3 4 -11 6.26773 1.68288 6 -3 4 11 8.20348 1.35343 5 -3 4 11 8.36893 1.32215 7 -2 -4 11 212.592 6.858 1 -2 -4 11 203.545 6.056 2 -2 -4 11 205.138 7.386 9 2 -4 -11 211.965 9.171 4 -2 -4 11 214.256 7.077 8 -2 -4 11 220.573 7.505 9 2 4 -11 220.274 8.459 5 -2 4 11 215.552 7.087 5 2 4 -11 204.078 7.800 6 2 4 -11 212.959 9.380 4 -2 4 11 213.436 6.820 7 1 -4 -11 147.916 7.640 4 -1 -4 11 152.283 5.929 9 -1 -4 11 151.333 4.797 2 -1 -4 11 154.784 5.934 9 -1 -4 11 153.500 5.502 1 -1 -4 11 145.421 5.559 8 -1 4 11 142.297 5.634 5 1 4 -11 156.342 6.376 6 1 4 -11 150.370 7.628 4 1 4 -11 145.430 6.721 5 -1 4 11 150.315 5.356 7 0 -4 11 220.107 7.791 9 0 -4 11 223.985 6.439 2 0 -4 -11 213.147 9.477 4 0 -4 11 219.822 7.763 9 0 -4 11 217.310 7.407 8 0 -4 11 219.127 7.188 1 0 4 11 233.113 7.261 7 0 4 -11 237.745 9.864 4 0 4 -11 208.854 7.855 6 0 4 11 220.009 7.742 5 1 -4 11 57.8302 3.4532 1 -1 -4 -11 58.1656 2.0023 3 1 -4 11 64.7143 3.7151 9 1 -4 11 64.0653 3.6345 9 -1 -4 -11 58.3668 4.8094 4 1 -4 11 59.8556 2.9808 2 1 -4 11 63.0968 3.5666 8 1 4 11 62.8640 3.6996 5 -1 4 -11 59.5972 3.7285 6 1 4 11 61.2240 2.1728 9 1 4 11 60.6800 3.2867 7 -1 4 -11 66.5806 5.2494 4 1 4 11 59.1934 2.0852 8 2 -4 11 1973.42 49.08 9 2 -4 11 1919.64 45.47 8 2 -4 11 1904.95 44.87 1 -2 -4 -11 1869.29 50.30 4 -2 -4 -11 1912.46 42.68 3 2 -4 11 1902.31 42.50 2 2 4 11 1895.28 43.53 8 -2 4 -11 1865.27 45.83 6 -2 4 -11 1942.07 50.68 4 2 4 11 1916.59 47.11 9 2 4 11 1955.81 47.27 7 3 -4 11 739.753 17.907 2 3 -4 11 747.805 19.580 8 3 -4 11 745.189 19.158 1 -3 -4 -11 687.465 17.428 3 -3 -4 -11 726.833 22.406 4 3 4 11 713.614 17.961 8 3 4 11 741.668 19.414 9 -3 4 -11 715.456 19.426 6 -3 4 -11 754.221 22.659 4 4 -4 11 12.2453 2.1524 1 4 -4 11 8.87998 1.62103 2 4 -4 11 6.66202 1.78716 8 -4 -4 -11 4.95094 1.24635 3 -4 -4 -11 12.5954 2.9031 4 4 4 11 8.44091 1.52631 8 4 4 11 9.53780 1.63889 9 -4 4 -11 10.9069 1.9487 6 -4 4 -11 10.1835 2.7130 4 5 -4 11 49.7942 3.2370 2 -5 -4 -11 44.7033 3.1992 3 5 -4 11 43.2705 3.5653 1 -5 -4 -11 41.2866 4.6036 4 5 -4 11 39.7465 3.4966 8 5 4 11 50.5891 2.2710 2 -5 4 -11 55.5781 4.8164 4 5 4 11 49.7869 3.2275 8 -6 -4 -11 120.503 7.145 4 6 -4 11 118.998 5.365 2 -6 -4 -11 117.029 5.199 3 6 -4 11 117.410 6.060 8 6 -4 11 109.911 5.916 1 6 4 11 114.800 4.262 2 -6 4 -11 136.540 7.532 4 6 4 11 129.902 5.599 8 -7 -4 -11 134.482 7.733 4 7 -4 11 144.860 6.952 1 7 -4 11 135.977 6.943 8 7 -4 11 161.543 6.478 2 -7 4 -11 141.975 7.877 4 7 4 11 157.358 5.489 2 7 4 11 147.932 6.525 8 8 -4 11 3.59486 2.16026 1 8 -4 11 2.98581 1.66278 2 -8 -4 -11 1.92840 2.06047 4 8 -4 11 3.53632 2.02967 8 -8 4 -11 1.60838 2.29930 4 8 4 11 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34.6070 3.0245 8 -7 -5 11 33.5834 2.9570 1 -7 -5 11 28.7091 2.2718 2 -7 -5 11 26.5972 2.6443 9 7 -5 -11 32.6719 2.0219 5 7 -5 -11 37.1790 3.8341 4 7 -5 -11 30.2667 2.2635 3 7 5 -11 29.2492 2.5189 9 -7 5 11 26.7616 2.1481 9 -7 5 11 34.9934 2.6077 9 7 5 -11 26.3812 3.0959 6 7 5 -11 30.9446 3.7101 4 7 5 -11 31.6679 3.0973 5 -7 5 11 28.1719 1.6575 2 -6 -5 11 86.6892 4.5485 9 6 -5 -11 86.3107 3.3620 3 -6 -5 11 88.1349 3.7215 2 -6 -5 11 90.3431 4.6403 9 6 -5 -11 89.8910 5.6121 4 -6 -5 11 89.8504 4.3577 1 -6 -5 11 79.4247 4.3714 8 6 5 -11 82.4002 4.9472 6 -6 5 11 83.5796 3.5667 9 6 5 -11 82.2388 4.0118 9 -6 5 11 88.5643 3.9171 9 6 5 -11 86.2326 3.8643 9 6 5 -11 87.8330 5.5728 4 6 5 -11 82.4785 4.8801 5 -5 -5 11 2.20975 1.20490 9 -5 -5 11 2.21171 1.30558 1 5 -5 -11 3.24247 1.84531 4 -5 -5 11 3.64001 1.28890 9 -5 -5 11 6.16080 1.24115 2 5 -5 -11 2.16007 0.74131 3 -5 -5 11 3.02662 1.27934 8 -5 5 11 2.70479 0.76944 9 5 5 -11 3.31502 1.08799 9 5 5 -11 2.33128 1.82583 4 5 5 -11 1.95830 1.34127 5 -5 5 11 2.68902 0.89374 9 5 5 -11 2.97474 1.53306 6 5 5 -11 5.75969 1.13592 9 -4 -5 11 28.2400 2.5249 9 4 -5 -11 29.0386 1.5059 3 4 -5 -11 33.3422 3.6780 4 -4 -5 11 33.1068 2.6781 1 -4 -5 11 31.6957 2.1843 2 -4 -5 11 25.1829 2.4393 9 -4 -5 11 28.0027 2.5195 8 4 5 -11 20.9089 3.3619 4 4 5 -11 30.4340 2.9739 6 4 5 -11 31.4706 2.2171 9 4 5 -11 32.7782 3.0135 5 -4 5 11 30.3036 1.5393 9 4 5 -11 29.7450 1.9690 9 -4 5 11 31.2346 1.7561 9 -4 5 11 28.5429 1.9665 7 3 -5 -11 24.3517 1.1469 3 -3 -5 11 24.8692 2.3847 9 -3 -5 11 28.1251 2.5289 8 -3 -5 11 24.7330 2.3996 1 3 -5 -11 26.0100 3.3876 4 -3 -5 11 27.7726 2.5766 9 -3 -5 11 28.3418 2.0771 2 -3 5 11 28.2764 1.8851 7 3 5 -11 29.8337 3.7045 4 3 5 -11 30.4655 3.0096 5 3 5 -11 22.9552 2.6718 6 3 5 -11 28.0140 1.9230 9 3 5 -11 27.2052 1.8223 9 -3 5 11 26.1817 1.1781 8 -3 5 11 25.7150 1.1710 9 -2 -5 11 299.001 9.137 1 2 -5 -11 302.361 11.697 4 -2 -5 11 300.671 9.962 9 -2 -5 11 312.558 8.378 2 -2 -5 11 283.630 9.336 8 -2 -5 11 315.621 10.068 9 2 5 -11 303.722 8.689 9 -2 5 11 307.594 8.628 7 2 5 -11 300.430 11.861 4 2 5 -11 303.161 10.849 5 2 5 -11 284.709 10.100 6 -2 5 11 297.674 9.021 5 -1 -5 11 8.97386 1.73756 9 1 -5 -11 8.20378 2.33297 4 -1 -5 11 6.70079 1.51322 9 -1 -5 11 8.93557 1.74121 8 -1 -5 11 10.0875 1.7764 1 -1 -5 11 8.57443 1.34823 2 1 5 -11 8.66939 1.19006 9 1 5 -11 16.6295 3.1412 4 1 5 -11 5.92797 1.65243 6 1 5 -11 10.1278 2.0591 5 -1 5 11 7.58047 1.23799 7 -1 5 11 9.54351 1.49772 5 0 -5 11 37.6636 2.8720 9 0 -5 11 35.7167 2.8681 9 0 -5 11 37.6412 3.0241 1 0 -5 11 43.1098 3.0537 8 0 -5 11 40.9042 2.5036 2 0 -5 -11 38.2534 4.0724 4 0 5 -11 37.7163 1.9379 9 0 5 -11 35.2506 3.1371 6 0 5 -11 34.9831 3.3618 5 0 5 11 37.4462 2.6435 5 0 5 -11 42.7935 4.2145 4 1 -5 11 310.558 9.638 1 1 -5 11 318.499 10.510 9 -1 -5 -11 300.090 12.054 4 1 -5 11 291.691 9.790 8 1 -5 11 310.838 8.776 2 1 5 11 312.358 8.491 9 1 5 11 325.336 10.223 5 -1 5 -11 313.660 8.530 9 1 5 11 317.301 7.937 8 -1 5 -11 301.123 12.206 4 -1 5 -11 305.044 10.295 6 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52.30 4 3 -7 -13 1964.36 43.08 3 -3 -7 13 1972.16 43.83 2 -3 -7 13 1926.84 46.28 1 -3 -7 13 1932.30 47.01 8 -3 7 13 1949.26 43.84 8 3 7 -13 1932.93 52.56 4 3 7 -13 1831.82 48.18 6 2 -7 -13 367.560 14.792 4 -2 -7 13 372.729 10.836 2 -2 -7 13 376.474 12.308 8 2 -7 -13 384.293 9.249 3 -2 -7 13 378.409 11.915 1 -2 7 13 376.161 9.422 8 2 7 -13 397.515 13.353 6 2 7 -13 376.164 15.085 4 -1 -7 13 101.812 4.642 2 -1 -7 13 105.160 5.526 8 1 -7 -13 106.440 3.333 3 1 -7 -13 95.8324 6.9646 4 -1 -7 13 107.643 5.379 1 1 7 -13 115.662 7.619 4 1 7 -13 105.022 5.944 6 -1 7 13 101.651 3.327 8 0 -7 -13 -1.1454 1.7843 4 0 -7 13 -0.3353 1.1047 2 0 -7 13 2.51248 1.63880 1 0 -7 -13 2.24871 0.78719 3 0 -7 13 3.90635 1.66959 8 0 7 -13 -0.0338 1.3693 6 0 7 13 2.85956 0.77697 8 0 7 -13 -1.0964 2.0112 4 -1 -7 -13 6.91233 2.76100 4 -1 -7 -13 4.97812 1.01555 3 -1 -7 -13 4.55145 1.03928 3 1 -7 13 3.52715 1.44255 2 1 -7 13 4.48902 1.89554 8 1 -7 13 5.86488 2.01654 1 -1 7 -13 3.84631 2.65530 4 -1 7 -13 5.13173 1.94852 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-2.2153 3.6079 4 -8 -6 25 -0.0541 1.9688 2 -8 6 25 -0.0413 1.3701 2 8 6 -25 2.47528 4.17425 4 7 -6 -25 1.16782 4.15931 4 -7 -6 25 5.85990 2.36835 2 -7 -6 25 2.36786 2.67464 8 7 6 -25 4.12148 4.10761 4 6 -6 -25 9.00701 4.96637 4 -6 -6 25 17.3244 3.1820 2 -6 -6 25 19.0368 3.7686 8 6 6 -25 13.1963 5.2488 4 -5 -6 25 27.8601 4.4683 8 -5 -6 25 21.2416 3.4958 2 5 -6 -25 24.9304 6.3067 4 5 6 -25 22.8802 6.2854 4 -4 -6 25 -1.4764 2.6174 8 -4 -6 25 -0.0283 1.9753 2 4 -6 -25 3.13456 4.12833 4 4 6 -25 -2.3619 3.4890 4 -11 -7 25 4.76072 2.46796 2 -11 -7 25 10.8236 3.6091 8 11 -7 -25 9.56259 4.55098 4 11 7 -25 17.8234 5.5948 4 -11 7 25 7.65557 2.22950 2 10 -7 -25 34.1831 6.9034 4 -10 -7 25 39.5239 5.0910 8 -10 -7 25 22.7857 3.6336 2 -10 7 25 32.4785 3.2114 2 10 7 -25 28.7138 6.4878 4 -9 -7 25 -0.8035 2.0340 2 9 -7 -25 0.27390 4.13185 4 -9 -7 25 -0.4263 2.6372 8 9 7 -25 0.76907 4.07420 4 -9 7 25 1.10646 1.53485 2 -8 -7 25 51.5767 5.5520 8 8 -7 -25 49.5590 7.6676 4 -8 -7 25 51.3717 4.6984 2 8 7 -25 55.1752 7.9675 4 -7 -7 25 7.51672 3.22058 8 7 -7 -25 15.7798 5.2396 4 -7 -7 25 14.8041 3.0338 2 7 7 -25 12.0069 5.4008 4 -6 -7 25 20.8828 4.1585 8 -6 -7 25 17.1778 3.2299 2 6 -7 -25 14.6465 5.4351 4 6 7 -25 15.7508 5.8723 4 5 -7 -25 -0.7629 3.7445 4 5 7 -25 6.29017 4.55833 4 -13 0 26 39.4036 4.6358 8 -13 0 26 34.5706 3.9710 2 13 0 -26 28.5939 6.1656 4 -12 0 26 10.6553 2.7678 2 12 0 -26 12.9401 4.9065 4 -12 0 26 12.4708 3.2472 8 11 0 -26 0.93120 3.75598 4 -11 0 26 2.37392 2.07229 2 -10 0 26 2.41207 2.00901 2 10 0 -26 3.72570 4.28891 4 9 0 -26 17.6460 5.6729 4 -9 0 26 17.6158 2.7166 2 8 0 -26 16.8314 2.8593 3 8 0 -26 11.6350 5.0379 4 -8 0 26 15.3896 2.4757 2 7 0 -26 -1.5638 3.8205 4 -7 0 26 -0.6250 1.5987 2 7 0 -26 0.93484 1.78164 3 -6 0 26 60.3117 4.1091 2 6 0 -26 72.2451 4.3677 3 6 0 -26 67.0901 8.7530 4 -5 0 26 -1.2825 1.5887 2 5 0 -26 -0.2889 1.6570 3 5 0 -26 -4.0383 3.3585 4 4 0 -26 140.744 5.689 3 4 0 -26 114.517 10.866 4 -13 -1 26 5.98997 3.04895 8 13 -1 -26 11.3244 4.7022 4 -13 -1 26 8.45191 2.70065 2 13 1 -26 9.35966 4.66456 4 -13 1 26 10.1571 3.2009 8 -13 1 26 7.70233 2.50380 2 12 -1 -26 -0.2139 3.8542 4 -12 -1 26 4.81046 2.67077 8 -12 -1 26 0.97993 2.10046 2 -12 1 26 2.88390 2.14805 2 12 1 -26 16.7754 5.1391 4 11 -1 -26 60.1973 8.1561 4 -11 -1 26 61.0753 5.3764 8 -11 -1 26 62.3808 4.6832 2 11 1 -26 63.5291 8.4647 4 -11 1 26 67.2672 4.5878 2 10 -1 -26 184.748 12.820 4 -10 -1 26 169.451 7.343 2 -10 1 26 181.984 7.193 2 10 1 -26 180.493 12.720 4 9 -1 -26 0.30038 3.72658 4 -9 -1 26 0.55099 1.91997 2 -9 1 26 2.06678 1.77872 2 9 1 -26 0.05501 3.71392 4 8 -1 -26 9.08606 5.10740 4 -8 -1 26 7.58975 2.23149 2 -8 1 26 15.2347 2.4752 2 8 1 -26 10.2497 4.9277 4 7 -1 -26 -0.8426 3.8047 4 -7 -1 26 0.26797 1.65925 2 7 1 -26 -1.0659 1.8699 3 -7 1 26 2.03453 1.75022 2 7 1 -26 -1.2544 3.7598 4 -6 -1 26 5.52319 2.07206 2 6 -1 -26 5.21889 4.64940 4 6 -1 -26 3.45280 1.68111 3 6 1 -26 -1.9660 3.6804 4 -6 1 26 1.90024 1.72825 2 6 1 -26 0.66963 1.80474 3 5 -1 -26 18.6161 2.4848 3 5 -1 -26 3.23629 4.39537 4 -5 -1 26 15.3503 2.5724 2 -5 1 26 13.9323 2.2863 2 5 1 -26 14.3148 2.5417 3 5 1 -26 11.3335 5.2346 4 -13 -2 26 2.92710 2.36175 2 -13 -2 26 3.37879 2.79183 8 13 -2 -26 5.64875 4.12956 4 13 2 -26 1.38990 3.72340 4 -13 2 26 5.27551 2.31848 2 -12 -2 26 1.33698 2.71253 8 -12 -2 26 0.83958 2.19413 2 12 -2 -26 8.67520 4.44793 4 12 2 -26 -0.5412 3.6309 4 -12 2 26 -1.5285 1.9488 2 11 -2 -26 5.29052 4.31539 4 -11 -2 26 7.25230 2.59971 2 -11 -2 26 11.5673 3.3783 8 -11 2 26 6.48335 2.28706 2 11 2 -26 3.86015 4.13713 4 -10 -2 26 8.99158 3.04828 8 10 -2 -26 5.60667 4.61012 4 -10 -2 26 8.96332 2.47070 2 10 2 -26 4.38443 4.60171 4 -10 2 26 6.97278 2.20187 2 -9 -2 26 29.5504 4.1597 8 9 -2 -26 34.2821 6.9206 4 -9 -2 26 28.3489 3.5196 2 9 2 -26 21.5548 6.0373 4 -9 2 26 33.8153 3.2030 2 8 -2 -26 4.18637 4.17853 4 -8 -2 26 7.57111 2.36834 2 8 2 -26 12.4516 5.1868 4 -8 2 26 12.6464 2.2336 2 7 -2 -26 1.34155 3.99344 4 -7 -2 26 1.70497 1.90448 2 -7 2 26 2.26430 1.62648 2 7 2 -26 -0.3003 3.7303 4 6 -2 -26 2.75925 4.07007 4 -6 -2 26 4.12453 2.06999 2 -6 2 26 4.60427 1.72162 2 6 2 -26 2.09881 4.21718 4 5 -2 -26 13.0707 5.3486 4 -5 -2 26 11.4870 2.5518 2 5 2 -26 9.26558 4.93962 4 -5 2 26 8.37366 1.90293 2 -12 -3 26 17.9734 3.8565 8 -12 -3 26 12.2843 2.9372 2 12 -3 -26 20.2148 5.5320 4 12 3 -26 5.86333 4.12083 4 -12 3 26 9.78124 2.39121 2 11 -3 -26 127.300 10.661 4 -11 -3 26 117.977 7.339 8 -11 -3 26 115.368 6.386 2 11 3 -26 122.035 10.784 4 -11 3 26 121.893 5.807 2 -10 -3 26 277.339 11.322 8 10 -3 -26 285.463 16.211 4 -10 -3 26 266.908 10.034 2 10 3 -26 290.952 16.229 4 -10 3 26 276.430 9.110 2 -9 -3 26 7.28192 2.49925 2 -9 -3 26 10.2089 3.1534 8 9 -3 -26 -2.4517 3.9407 4 -9 3 26 6.92562 1.99453 2 9 3 -26 2.58760 4.11251 4 8 -3 -26 14.7037 5.3615 4 -8 -3 26 17.4093 2.9736 2 -8 -3 26 14.8418 3.4437 8 8 3 -26 13.1705 5.1525 4 -8 3 26 23.9856 2.7184 2 -7 -3 26 7.04492 3.01506 8 7 -3 -26 11.8326 4.9475 4 -7 -3 26 5.98012 2.32679 2 7 3 -26 9.91000 4.49480 4 -7 3 26 8.38511 1.87323 2 6 -3 -26 50.9811 8.5415 4 -6 -3 26 41.2990 3.9287 2 6 3 -26 52.3653 7.8910 4 -6 3 26 43.1946 3.0561 2 5 -3 -26 17.8434 5.8387 4 5 3 -26 14.1614 5.4695 4 11 -4 -26 11.5414 4.8610 4 -11 -4 26 2.40690 2.84975 8 -11 -4 26 7.45920 2.69658 2 11 4 -26 6.77384 4.51728 4 -11 4 26 3.16442 2.01147 2 10 -4 -26 30.6268 6.5657 4 -10 -4 26 19.5470 3.3273 2 -10 -4 26 25.5500 4.2202 8 10 4 -26 21.7441 5.9897 4 -10 4 26 26.1812 3.0368 2 -9 -4 26 3.11592 2.35108 2 9 -4 -26 5.29172 4.41303 4 -9 -4 26 4.67530 2.92698 8 -9 4 26 5.91733 1.88509 2 9 4 -26 1.02682 3.96610 4 8 -4 -26 1.43414 4.09190 4 -8 -4 26 5.34409 2.34385 2 -8 -4 26 0.34840 2.54763 8 8 4 -26 4.35369 4.32236 4 -8 4 26 0.60970 1.52006 2 7 -4 -26 -1.1251 3.7826 4 -7 -4 26 3.06261 2.21363 2 -7 -4 26 2.19720 2.78287 8 -7 4 26 0.26432 1.45082 2 7 4 -26 2.18942 4.10682 4 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 7714 _publcif_funding_html 'Nakhon Ratchasima Rajabhat University (NRRU).' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group V1 V 0.52664(2) -0.07422(2) 0.91896(2) 0.00868(3) Uani 1 1 d . . . . . O1 O 0.60218(5) -0.00301(5) 1.05725(5) 0.00893(10) Uani 1 1 d . . . . . O123 O 0.50667(5) 0.18266(5) 0.99753(5) 0.00986(10) Uani 1 1 d . . . . . H123 H 0.507(6) 0.256(6) 1.014(6) 0.011 Uiso 0.2 1 d . U P A 1 O14 O 0.64618(5) -0.12654(6) 0.92949(5) 0.01015(10) Uani 1 1 d . . . . . O15 O 0.56396(6) 0.11902(6) 1.18923(5) 0.01090(10) Uani 1 1 d . . . . . V2 V 0.65101(2) 0.14300(2) 0.99104(2) 0.01040(3) Uani 1 1 d . . . . . O2 O 0.67079(6) 0.24960(6) 0.93789(6) 0.01618(13) Uani 1 1 d . . . . . O231 O 0.54466(5) 0.06701(5) 0.87506(5) 0.01014(10) Uani 1 1 d . . . . . O24 O 0.75557(5) 0.05255(6) 0.98962(5) 0.01069(10) Uani 1 1 d . . . . . O25 O 0.71289(6) 0.17673(6) 1.12298(5) 0.01138(11) Uani 1 1 d . . . . . V3 V 0.40897(2) 0.14853(2) 0.85511(2) 0.00884(3) Uani 1 1 d . . . . . O3 O 0.43254(6) 0.25250(6) 0.80137(6) 0.01459(12) Uani 1 1 d . . . . . O34 O 0.70562(5) -0.18813(5) 1.11338(5) 0.01002(10) Uani 1 1 d . . . . . O35 O 0.33536(6) 0.06158(6) 0.75339(5) 0.01088(10) Uani 1 1 d . . . . . V4 V 0.76162(2) -0.07668(2) 1.05869(2) 0.00884(3) Uani 1 1 d . . . . . O4 O 0.86260(6) -0.13630(6) 1.04831(6) 0.01307(11) Uani 1 1 d . . . . . V5 V 0.71366(2) 0.06736(2) 1.20940(2) 0.01013(3) Uani 1 1 d . . . . . O5 O 0.78110(6) 0.11850(6) 1.31570(5) 0.01481(12) Uani 1 1 d . . . . . O54 O 0.81563(5) -0.00795(5) 1.17830(5) 0.01010(10) Uani 1 1 d . . . . . N1M N 0.72400(8) -0.35972(7) 0.94069(6) 0.01562(14) Uani 1 1 d D . . . . H1M1 H 0.7004(13) -0.3887(13) 0.8835(9) 0.017 Uiso 1 1 d D U . . . H1M2 H 0.7096(13) -0.2946(9) 0.9468(12) 0.017 Uiso 1 1 d D U . . . C1M C 0.77943(8) -0.41860(8) 1.01807(7) 0.01195(14) Uani 1 1 d . . . . . N2M N 0.80756(8) -0.51846(7) 1.00901(7) 0.01768(16) Uani 1 1 d D . . . . H2M1 H 0.7946(14) -0.5432(13) 0.9510(9) 0.019 Uiso 1 1 d D U . . . H2M2 H 0.8306(13) -0.5571(13) 1.0618(10) 0.019 Uiso 1 1 d D U . . . N3M N 0.80330(7) -0.37537(7) 1.11015(6) 0.01154(12) Uani 1 1 d D . . . . H3M H 0.7691(12) -0.3191(10) 1.1137(12) 0.013 Uiso 1 1 d D U . . . C2M C 0.89056(7) -0.40637(7) 1.19314(6) 0.01024(13) Uani 1 1 d . . . . . N5M N 0.98278(7) -0.42517(7) 1.18313(6) 0.01324(13) Uani 1 1 d D . . . . H5M1 H 1.0373(10) -0.4492(13) 1.2299(10) 0.015 Uiso 1 1 d D U . . . H5M2 H 0.9913(13) -0.4061(13) 1.1314(9) 0.015 Uiso 1 1 d D U . . . N4M N 0.87763(7) -0.41228(7) 1.27850(6) 0.01163(12) Uani 1 1 d . . . . . C3M C 0.77359(9) -0.39938(10) 1.28800(8) 0.01795(18) Uani 1 1 d D . . . . H3M1 H 0.7183(11) -0.4106(14) 1.2265(9) 0.020 Uiso 1 1 d D U . . . H3M2 H 0.7668(14) -0.4488(12) 1.3341(11) 0.020 Uiso 1 1 d D U . . . H3M3 H 0.7655(14) -0.3311(10) 1.3126(12) 0.020 Uiso 1 1 d D U . . . C4M C 0.97077(8) -0.42442(9) 1.37028(7) 0.01565(16) Uani 1 1 d D . . . . H4M1 H 1.0276(11) -0.3803(12) 1.3672(12) 0.017 Uiso 1 1 d D U . . . H4M2 H 0.9528(13) -0.4025(13) 1.4258(10) 0.017 Uiso 1 1 d D U . . . H4M3 H 0.9910(13) -0.4977(9) 1.3783(12) 0.017 Uiso 1 1 d D U . . . O1W O 0.92933(8) -0.17924(8) 1.31343(7) 0.02381(17) Uani 1 1 d D . . . . H1W1 H 0.9865(9) -0.1697(15) 1.3044(13) 0.026 Uiso 1 1 d D U . . . H1W2 H 0.8851(11) -0.1374(13) 1.2754(12) 0.026 Uiso 1 1 d D U . . . O2W O 1.13944(8) -0.15685(7) 1.31415(6) 0.02118(16) Uani 1 1 d D . . . . H2W1 H 1.1391(14) -0.1489(14) 1.2561(8) 0.023 Uiso 1 1 d D U . . . H2W2 H 1.1837(12) -0.2057(11) 1.3374(11) 0.023 Uiso 1 1 d D U . . . O3W O 1.14241(8) -0.16341(8) 1.12021(7) 0.02163(16) Uani 1 1 d D . . . . H3W1 H 1.1700(13) -0.1229(11) 1.0917(12) 0.024 Uiso 1 1 d D U . . . H3W2 H 1.1764(13) -0.2201(9) 1.1309(13) 0.024 Uiso 1 1 d D U . . . O4W O 0.99909(9) -0.33545(9) 1.01557(7) 0.0278(2) Uani 1 1 d D . . . . H4W1 H 0.9659(14) -0.3312(14) 0.9544(7) 0.031 Uiso 1 1 d D U . . . H4W2 H 1.0168(15) -0.2751(9) 1.0356(12) 0.031 Uiso 1 1 d D U . . . O1HB O 0.4025(10) 0.6481(10) 0.7766(9) 0.0594(13) Uiso 0.2 1 d . U P B 1 O1HG O 0.3722(6) 0.6547(7) 0.7596(6) 0.0594(13) Uiso 0.3 1 d . U P C 2 N1B N 0.5076(4) 0.5210(3) 1.1606(4) 0.0114(4) Uiso 0.2 1 d D U P D 1 H1B1 H 0.488881 0.584669 1.133181 0.012 Uiso 0.2 1 calc R U P D 1 H1B2 H 0.518186 0.511443 1.223595 0.012 Uiso 0.2 1 calc R U P D 1 N5B N 0.5081(4) 0.5984(5) 0.9881(5) 0.0210(6) Uiso 0.2 1 d D U P D 1 HDUM H 0.495537 0.606918 1.043103 0.023 Uiso 0 1 calc R U P D 1 H5B1 H 0.512385 0.654967 0.953191 0.023 Uiso 0.2 1 calc R U P D 1 C3B C 0.5201(3) 0.5045(5) 0.9590(5) 0.0308(6) Uiso 0.2 1 d D U P D 1 N4B N 0.5402(7) 0.4504(9) 0.8826(7) 0.0495(17) Uiso 0.2 1 d D U P D 1 H4B1 H 0.548618 0.487117 0.834134 0.054 Uiso 0.2 1 calc R U P D 1 H4B2 H 0.544265 0.379755 0.883264 0.054 Uiso 0.2 1 calc R U P D 1 N3B N 0.5131(5) 0.4179(6) 1.0147(4) 0.0195(6) Uiso 0.2 1 d D U P D 1 C1B C 0.5200(3) 0.4395(4) 1.1068(3) 0.0147(4) Uiso 0.2 1 d D U P D 1 N2B N 0.5474(6) 0.3634(6) 1.1775(6) 0.0259(6) Uiso 0.2 1 d D U P D 1 H2B1 H 0.551560 0.379308 1.237911 0.028 Uiso 0.2 1 calc R U P D 1 H2B2 H 0.561281 0.297563 1.163308 0.028 Uiso 0.2 1 calc R U P D 1 O3G O 0.4871(3) 0.5272(3) 1.1344(3) 0.0114(4) Uiso 0.3 1 d D U P E 2 N1G N 0.4805(4) 0.5953(4) 0.9639(3) 0.0210(6) Uiso 0.3 1 d D U P E 2 H1G1 H 0.461240 0.638386 0.912074 0.023 Uiso 0.3 1 calc R U P E 2 H1G2 H 0.482554 0.619503 1.021573 0.023 Uiso 0.3 1 calc R U P E 2 C1G C 0.5058(2) 0.4970(4) 0.9552(4) 0.0308(6) Uiso 0.3 1 d D U P E 2 N2G N 0.5000(7) 0.4697(8) 0.8662(6) 0.0495(17) Uiso 0.3 1 d D U P E 2 H2G1 H 0.480001 0.517344 0.817928 0.054 Uiso 0.3 1 calc R U P E 2 H2G2 H 0.516118 0.403762 0.854605 0.054 Uiso 0.3 1 calc R U P E 2 N3G N 0.5376(3) 0.4226(3) 1.0338(3) 0.0195(6) Uiso 0.3 1 d D U P E 2 H3G H 0.565654 0.362069 1.023257 0.021 Uiso 0.3 1 calc R U P E 2 C3G C 0.52967(19) 0.4337(3) 1.1260(2) 0.0147(4) Uiso 0.3 1 d D U P E 2 N4G N 0.5646(4) 0.3525(4) 1.1842(4) 0.0259(6) Uiso 0.3 1 d D U P E 2 H4G1 H 0.562335 0.353369 1.244117 0.028 Uiso 0.3 1 calc R U P E 2 H4G2 H 0.590747 0.296136 1.164071 0.028 Uiso 0.3 1 calc R U P E 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 V1 0.00687(5) 0.00801(5) 0.01006(5) -0.00170(4) 0.00182(4) 0.00060(4) O1 0.0083(2) 0.0092(2) 0.0088(2) 0.00087(18) 0.00256(18) -0.00001(19) O123 0.0091(2) 0.0086(2) 0.0116(2) 0.00095(19) 0.00354(19) -0.00019(19) O14 0.0090(2) 0.0106(3) 0.0111(2) -0.00076(19) 0.00392(19) 0.0006(2) O15 0.0100(3) 0.0119(3) 0.0100(2) -0.00156(19) 0.00274(19) 0.0002(2) V2 0.00827(6) 0.00871(6) 0.01397(6) 0.00291(4) 0.00379(5) -0.00075(4) O2 0.0145(3) 0.0123(3) 0.0221(3) 0.0056(2) 0.0071(3) -0.0013(2) O231 0.0093(2) 0.0100(2) 0.0107(2) 0.00183(19) 0.00317(19) 0.0005(2) O24 0.0089(2) 0.0108(3) 0.0131(3) 0.0014(2) 0.0050(2) -0.0001(2) O25 0.0096(3) 0.0096(3) 0.0138(3) -0.0008(2) 0.0029(2) -0.0013(2) V3 0.00797(5) 0.00798(5) 0.01035(5) 0.00261(4) 0.00310(4) 0.00086(4) O3 0.0143(3) 0.0118(3) 0.0186(3) 0.0066(2) 0.0072(2) 0.0017(2) O34 0.0093(2) 0.0086(2) 0.0120(2) 0.00149(19) 0.0039(2) 0.00149(19) O35 0.0105(3) 0.0121(3) 0.0093(2) 0.00093(19) 0.00277(19) 0.0007(2) V4 0.00672(5) 0.00928(6) 0.01023(5) -0.00076(4) 0.00278(4) 0.00068(4) O4 0.0093(3) 0.0141(3) 0.0162(3) -0.0009(2) 0.0052(2) 0.0022(2) V5 0.00789(6) 0.01148(6) 0.00977(5) -0.00243(4) 0.00175(4) 0.00027(4) O5 0.0129(3) 0.0167(3) 0.0123(3) -0.0044(2) 0.0017(2) -0.0002(2) O54 0.0077(2) 0.0107(3) 0.0108(2) -0.00048(19) 0.00215(19) 0.00018(19) N1M 0.0210(4) 0.0128(3) 0.0097(3) -0.0006(2) 0.0018(3) 0.0037(3) C1M 0.0130(3) 0.0113(3) 0.0106(3) -0.0013(2) 0.0032(3) 0.0015(3) N2M 0.0244(4) 0.0123(3) 0.0132(3) -0.0026(3) 0.0033(3) 0.0048(3) N3M 0.0130(3) 0.0113(3) 0.0090(3) -0.0008(2) 0.0024(2) 0.0041(2) C2M 0.0110(3) 0.0090(3) 0.0101(3) -0.0003(2) 0.0030(2) 0.0013(2) N5M 0.0110(3) 0.0163(3) 0.0127(3) 0.0017(2) 0.0047(2) 0.0028(3) N4M 0.0112(3) 0.0140(3) 0.0093(3) 0.0005(2) 0.0033(2) 0.0033(2) C3M 0.0146(4) 0.0255(5) 0.0157(4) 0.0047(3) 0.0079(3) 0.0064(4) C4M 0.0142(4) 0.0200(4) 0.0104(3) 0.0013(3) 0.0017(3) 0.0050(3) O1W 0.0270(4) 0.0189(4) 0.0209(4) 0.0065(3) 0.0033(3) 0.0017(3) O2W 0.0274(4) 0.0177(3) 0.0186(3) 0.0027(3) 0.0086(3) 0.0108(3) O3W 0.0229(4) 0.0199(4) 0.0266(4) 0.0072(3) 0.0144(3) 0.0022(3) O4W 0.0354(5) 0.0295(5) 0.0170(4) 0.0023(3) 0.0079(3) -0.0089(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' V V 0.3005 0.5294 '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 O14 V1 O15 107.13(4) . 3_657 ? O14 V1 O231 98.73(3) . . ? O15 V1 O231 97.46(3) 3_657 . ? O14 V1 O123 95.95(3) . 3_657 ? O15 V1 O123 95.52(3) 3_657 3_657 ? O231 V1 O123 156.57(3) . 3_657 ? O14 V1 O1 88.02(3) . . ? O15 V1 O1 164.74(3) 3_657 . ? O231 V1 O1 81.58(3) . . ? O123 V1 O1 80.78(3) 3_657 . ? O14 V1 O1 165.70(3) . 3_657 ? O15 V1 O1 86.98(3) 3_657 3_657 ? O231 V1 O1 81.27(3) . 3_657 ? O123 V1 O1 80.02(3) 3_657 3_657 ? O1 V1 O1 77.81(3) . 3_657 ? V1 O1 V1 102.19(3) . 3_657 ? V1 O1 V3 95.27(3) . 3_657 ? V1 O1 V3 92.59(3) 3_657 3_657 ? V1 O1 V2 92.73(3) . . ? V1 O1 V2 94.97(3) 3_657 . ? V3 O1 V2 167.60(3) 3_657 . ? V1 O1 V4 87.88(3) . . ? V1 O1 V4 169.92(3) 3_657 . ? V3 O1 V4 85.97(2) 3_657 . ? V2 O1 V4 84.87(2) . . ? V1 O1 V5 170.29(3) . . ? V1 O1 V5 87.43(3) 3_657 . ? V3 O1 V5 85.43(2) 3_657 . ? V2 O1 V5 85.11(2) . . ? V4 O1 V5 82.51(2) . . ? V1 O123 V2 107.30(3) 3_657 . ? V1 O123 V3 105.80(3) 3_657 . ? V2 O123 V3 99.93(3) . . ? V1 O123 H123 119(5) 3_657 . ? V2 O123 H123 109(5) . . ? V3 O123 H123 114(5) . . ? V1 O14 V4 110.08(4) . . ? V1 O15 V5 111.60(4) 3_657 . ? O2 V2 O24 104.05(4) . . ? O2 V2 O25 102.75(4) . . ? O24 V2 O25 95.60(3) . . ? O2 V2 O231 100.35(4) . . ? O24 V2 O231 90.85(3) . . ? O25 V2 O231 153.68(3) . . ? O2 V2 O123 98.65(4) . . ? O24 V2 O123 155.43(3) . . ? O25 V2 O123 88.36(3) . . ? O231 V2 O123 75.80(3) . . ? O2 V2 O1 173.21(3) . . ? O24 V2 O1 81.52(3) . . ? O25 V2 O1 80.32(3) . . ? O231 V2 O1 75.43(3) . . ? O123 V2 O1 75.25(3) . . ? V1 O231 V2 107.01(3) . . ? V1 O231 V3 106.98(3) . . ? V2 O231 V3 102.29(3) . . ? V2 O24 V4 114.11(4) . . ? V2 O25 V5 115.28(4) . . ? O3 V3 O35 103.49(4) . . ? O3 V3 O34 103.84(4) . 3_657 ? O35 V3 O34 96.12(3) . 3_657 ? O3 V3 O231 98.43(4) . . ? O35 V3 O231 90.66(3) . . ? O34 V3 O231 154.44(3) 3_657 . ? O3 V3 O123 98.96(4) . . ? O35 V3 O123 155.08(3) . . ? O34 V3 O123 88.80(3) 3_657 . ? O231 V3 O123 75.36(3) . . ? O3 V3 O1 172.79(3) . 3_657 ? O35 V3 O1 81.33(3) . 3_657 ? O34 V3 O1 80.72(3) 3_657 3_657 ? O231 V3 O1 75.98(3) . 3_657 ? O123 V3 O1 75.36(3) . 3_657 ? V3 O34 V4 114.20(4) 3_657 . ? V3 O35 V5 114.84(4) . 3_657 ? O4 V4 O54 104.52(4) . . ? O4 V4 O24 102.62(4) . . ? O54 V4 O24 91.73(3) . . ? O4 V4 O34 100.47(4) . . ? O54 V4 O34 91.46(3) . . ? O24 V4 O34 155.08(3) . . ? O4 V4 O14 99.07(4) . . ? O54 V4 O14 156.37(3) . . ? O24 V4 O14 84.32(3) . . ? O34 V4 O14 82.92(3) . . ? O4 V4 O1 172.91(3) . . ? O54 V4 O1 82.41(3) . . ? O24 V4 O1 78.37(3) . . ? O34 V4 O1 77.58(3) . . ? O14 V4 O1 73.97(3) . . ? O5 V5 O54 103.15(4) . . ? O5 V5 O25 102.73(4) . . ? O54 V5 O25 91.60(3) . . ? O5 V5 O35 101.27(4) . 3_657 ? O54 V5 O35 90.39(3) . 3_657 ? O25 V5 O35 154.78(3) . 3_657 ? O5 V5 O15 101.16(4) . . ? O54 V5 O15 155.62(3) . . ? O25 V5 O15 84.86(3) . . ? O35 V5 O15 83.04(3) 3_657 . ? O5 V5 O1 175.04(3) . . ? O54 V5 O1 81.68(3) . . ? O25 V5 O1 78.05(3) . . ? O35 V5 O1 77.37(3) 3_657 . ? O15 V5 O1 73.98(3) . . ? V4 O54 V5 113.39(4) . . ? C1M N1M H1M1 119.0(12) . . ? C1M N1M H1M2 121.6(11) . . ? H1M1 N1M H1M2 119.4(16) . . ? N1M C1M N2M 122.11(9) . . ? N1M C1M N3M 118.10(9) . . ? N2M C1M N3M 119.71(9) . . ? C1M N2M H2M1 118.5(12) . . ? C1M N2M H2M2 117.4(12) . . ? H2M1 N2M H2M2 123.7(16) . . ? C1M N3M C2M 123.94(8) . . ? C1M N3M H3M 116.5(11) . . ? C2M N3M H3M 118.6(11) . . ? N4M C2M N5M 123.20(8) . . ? N4M C2M N3M 118.02(8) . . ? N5M C2M N3M 118.74(8) . . ? C2M N5M H5M1 122.9(11) . . ? C2M N5M H5M2 119.5(11) . . ? H5M1 N5M H5M2 117.2(16) . . ? C2M N4M C4M 119.91(8) . . ? C2M N4M C3M 122.95(8) . . ? C4M N4M C3M 116.99(8) . . ? N4M C3M H3M1 110.2(11) . . ? N4M C3M H3M2 110.0(11) . . ? H3M1 C3M H3M2 109.3(15) . . ? N4M C3M H3M3 112.4(11) . . ? H3M1 C3M H3M3 109.5(15) . . ? H3M2 C3M H3M3 105.4(15) . . ? N4M C4M H4M1 109.2(10) . . ? N4M C4M H4M2 109.8(10) . . ? H4M1 C4M H4M2 109.1(14) . . ? N4M C4M H4M3 108.8(11) . . ? H4M1 C4M H4M3 111.2(14) . . ? H4M2 C4M H4M3 108.6(14) . . ? H1W1 O1W H1W2 106.4(14) . . ? H2W1 O2W H2W2 103.3(13) . . ? H3W1 O3W H3W2 107.4(14) . . ? H4W1 O4W H4W2 107.2(15) . . ? C1B N1B H1B1 120.0 . . ? C1B N1B H1B2 120.0 . . ? H1B1 N1B H1B2 120.0 . . ? C3B N5B HDUM 120.0 . . ? C3B N5B H5B1 120.0 . . ? N5B C3B N3B 118.8(7) . . ? N5B C3B N4B 141.8(8) . . ? N3B C3B N4B 99.4(6) . . ? C3B N4B H4B1 120.0 . . ? C3B N4B H4B2 120.0 . . ? H4B1 N4B H4B2 120.0 . . ? C1B N3B C3B 116.0(6) . . ? N1B C1B N3B 140.0(6) . . ? N1B C1B N2B 98.6(5) . . ? N3B C1B N2B 121.4(6) . . ? C1B N2B H2B1 120.0 . . ? C1B N2B H2B2 120.0 . . ? H2B1 N2B H2B2 120.0 . . ? C1G N1G H1G1 120.0 . . ? C1G N1G H1G2 120.0 . . ? H1G1 N1G H1G2 120.0 . . ? N1G C1G N2G 114.8(6) . . ? N1G C1G N3G 123.9(5) . . ? N2G C1G N3G 121.3(6) . . ? C1G N2G H2G1 120.0 . . ? C1G N2G H2G2 120.0 . . ? H2G1 N2G H2G2 120.0 . . ? C3G N3G C1G 127.4(4) . . ? C3G N3G H3G 116.3 . . ? C1G N3G H3G 116.3 . . ? N4G C3G O3G 134.0(4) . . ? N4G C3G N3G 114.5(4) . . ? O3G C3G N3G 111.5(3) . . ? C3G N4G H4G1 120.0 . . ? C3G N4G H4G2 120.0 . . ? H4G1 N4G H4G2 120.0 . . ? 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 V1 O14 1.6863(7) . ? V1 O15 1.6884(7) 3_657 ? V1 O231 1.9132(7) . ? V1 O123 1.9700(7) 3_657 ? V1 O1 2.0832(7) . ? V1 O1 2.1147(7) 3_657 ? O1 V3 2.2472(7) 3_657 ? O1 V2 2.2602(7) . ? O1 V4 2.3220(7) . ? O1 V5 2.3343(7) . ? O123 V2 2.0354(8) . ? O123 V3 2.0436(8) . ? O123 H123 0.94(8) . ? O14 V4 2.0410(7) . ? O15 V5 2.0270(8) . ? V2 O2 1.6034(8) . ? V2 O24 1.8051(7) . ? V2 O25 1.8326(8) . ? V2 O231 1.9995(8) . ? O231 V3 2.0112(7) . ? O24 V4 1.8792(7) . ? O25 V5 1.8464(8) . ? V3 O3 1.5997(7) . ? V3 O35 1.8030(7) . ? V3 O34 1.8262(7) 3_657 ? O34 V4 1.8847(7) . ? O35 V5 1.8856(8) 3_657 ? V4 O4 1.6003(7) . ? V4 O54 1.8276(7) . ? V5 O5 1.6048(8) . ? V5 O54 1.8462(7) . ? N1M C1M 1.3175(13) . ? N1M H1M1 0.851(10) . ? N1M H1M2 0.845(10) . ? C1M N2M 1.3184(13) . ? C1M N3M 1.3635(12) . ? N2M H2M1 0.851(10) . ? N2M H2M2 0.859(10) . ? N3M C2M 1.3910(12) . ? N3M H3M 0.849(10) . ? C2M N4M 1.3132(12) . ? C2M N5M 1.3197(12) . ? N5M H5M1 0.849(10) . ? N5M H5M2 0.833(10) . ? N4M C4M 1.4617(13) . ? N4M C3M 1.4622(13) . ? C3M H3M1 0.939(11) . ? C3M H3M2 0.937(10) . ? C3M H3M3 0.942(11) . ? C4M H4M1 0.954(11) . ? C4M H4M2 0.961(10) . ? C4M H4M3 0.946(10) . ? O1W H1W1 0.833(9) . ? O1W H1W2 0.829(9) . ? O2W H2W1 0.846(9) . ? O2W H2W2 0.830(9) . ? O3W H3W1 0.822(9) . ? O3W H3W2 0.823(9) . ? O4W H4W1 0.835(9) . ? O4W H4W2 0.809(9) . ? N1B C1B 1.325(5) . ? N1B H1B1 0.8800 . ? N1B H1B2 0.8800 . ? N5B C3B 1.272(6) . ? N5B HDUM 0.8800 . ? N5B H5B1 0.8800 . ? C3B N3B 1.369(6) . ? C3B N4B 1.403(6) . ? N4B H4B1 0.8800 . ? N4B H4B2 0.8800 . ? N3B C1B 1.332(5) . ? C1B N2B 1.343(6) . ? N2B H2B1 0.8800 . ? N2B H2B2 0.8800 . ? O3G C3G 1.321(4) . ? N1G C1G 1.287(5) . ? N1G H1G1 0.8800 . ? N1G H1G2 0.8800 . ? C1G N2G 1.308(6) . ? C1G N3G 1.408(5) . ? N2G H2G1 0.8800 . ? N2G H2G2 0.8800 . ? N3G C3G 1.385(4) . ? N3G H3G 0.8800 . ? C3G N4G 1.290(5) . ? N4G H4G1 0.8800 . ? N4G H4G2 0.8800 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag O123 H123 N3B 0.94(8) 2.02(8) 2.935(7) 165(7) . yes O1W H1W1 O2W 0.833(9) 2.013(9) 2.8316(15) 167.3(17) . yes O1W H1W2 O54 0.829(9) 2.116(10) 2.9173(12) 162.5(17) . yes O1W H1W2 O34 0.829(9) 2.751(15) 3.3251(13) 127.9(16) . yes O2W H2W1 O3W 0.846(9) 1.994(10) 2.8274(13) 168.0(16) . yes O2W H2W2 O25 0.830(9) 1.952(9) 2.7783(11) 173.6(16) 2_747 yes O3W H3W1 O24 0.822(9) 2.004(10) 2.8129(11) 168.0(17) 3_757 yes O3W H3W2 O5 0.823(9) 2.152(10) 2.9277(13) 157.3(16) 2_747 yes O3W H3W2 O2 0.823(9) 2.616(16) 3.1147(13) 120.4(13) 3_757 yes O4W H4W2 O4 0.809(9) 2.753(18) 3.2178(14) 118.5(16) . yes O4W H4W2 O3W 0.809(9) 2.181(12) 2.9050(15) 149.1(19) . yes O4W H4W1 O1W 0.835(9) 1.923(10) 2.7356(14) 164(2) 4 yes C3M H3M3 O1W 0.942(11) 2.896(17) 3.3818(17) 113.3(12) . yes C3M H3M1 O34 0.939(11) 3.188(17) 3.5277(14) 103.5(11) . yes C3M H3M2 O3W 0.937(10) 2.907(15) 3.5664(16) 128.5(13) 2_747 yes C3M H3M1 O3 0.939(11) 2.744(17) 3.1695(14) 108.5(12) 3_657 yes C3M H3M2 O14 0.937(10) 2.656(17) 3.1326(13) 112.2(12) 4_556 yes C3M H3M1 O3G 0.939(11) 2.996(14) 3.783(4) 142.3(13) 1_545 yes C3M H3M2 O24 0.937(10) 2.649(11) 3.5703(14) 167.8(14) 4_556 yes C3M H3M2 O4 0.937(10) 3.080(17) 3.5433(15) 112.3(12) 4_556 yes C4M H4M1 O1W 0.954(11) 2.800(17) 3.1537(15) 102.9(11) . yes C4M H4M2 O4 0.961(10) 2.536(11) 3.4772(14) 166.4(14) 4_556 yes C4M H4M3 O4 0.946(10) 2.536(13) 3.3770(13) 148.2(14) 2_747 yes C4M H4M1 O54 0.954(11) 2.899(16) 3.3594(13) 110.8(12) 2_747 yes C4M H4M1 O24 0.954(11) 3.009(16) 3.4983(14) 113.3(12) 2_747 yes C4M H4M2 O3W 0.961(10) 3.136(16) 3.6750(15) 117.2(12) 4_556 yes C4M H4M3 O3W 0.946(10) 2.736(15) 3.3635(16) 124.5(12) 2_747 yes N1M H1M2 O4 0.845(10) 2.836(15) 3.3890(13) 124.7(14) . yes N1M H1M2 O34 0.845(10) 2.772(14) 3.3665(12) 128.8(14) . yes N1M H1M2 O14 0.845(10) 2.236(11) 3.0660(12) 167.6(16) . yes N1M H1M1 O3G 0.851(10) 2.982(17) 3.361(4) 109.3(13) 3_657 yes N1M H1M1 O35 0.851(10) 1.963(11) 2.8040(12) 169.6(16) 2_646 yes N2M H2M2 O2W 0.859(10) 2.099(11) 2.9496(14) 170.6(17) 2_747 yes N2M H2M1 O4W 0.851(10) 3.034(17) 3.2936(16) 100.2(12) 3_747 yes N2M H2M1 O2 0.851(10) 3.034(17) 3.3711(13) 106.2(13) 1_545 yes N2M H2M1 O5 0.851(10) 2.121(11) 2.9657(13) 172.0(17) 4 yes N3M H3M O34 0.849(10) 1.837(10) 2.6811(11) 172.4(16) . yes N3M H3M O4 0.849(10) 2.918(15) 3.2859(12) 108.4(12) . yes N5M H5M1 O1W 0.849(10) 2.997(16) 3.3663(14) 108.7(12) 2_747 yes N5M H5M1 O54 0.849(10) 2.068(10) 2.9041(12) 168.0(15) 2_747 yes N5M H5M2 O5 0.833(10) 2.882(16) 3.2110(13) 105.8(12) 2_747 yes N5M H5M2 O4W 0.833(10) 1.931(10) 2.7535(13) 168.7(16) . yes N1B H1B1 N5B 0.88 2.22 2.681(9) 112.5 . yes N1B H1B1 O3 0.88 2.32 2.925(4) 126.1 3_667 yes N1B H1B2 O15 0.88 2.37 2.948(4) 123.2 2_657 yes N1B H1B2 O35 0.88 2.80 3.241(5) 112.9 4_566 yes N1B H1B2 O231 0.88 2.31 3.159(5) 162.7 4_566 yes N2B H2B2 O25 0.88 2.76 3.498(8) 142.3 . yes N2B H2B2 O15 0.88 2.25 3.047(7) 150.5 . yes N2B H2B2 O123 0.88 2.66 3.333(9) 134.4 . yes N2B H2B1 O3 0.88 2.68 3.117(7) 112.1 4_566 yes N2B H2B1 O231 0.88 2.13 3.005(8) 172.3 4_566 yes N2B H2B1 O35 0.88 3.08 3.535(8) 114.2 4_566 yes N4B H4B1 O1HB 0.88 2.71 3.121(16) 109.7 . yes N4B H4B2 O2 0.88 2.27 2.987(10) 138.7 . yes N4B H4B2 O3 0.88 2.20 2.878(10) 133.1 . yes N4B H4B2 O123 0.88 3.10 3.822(12) 140.6 . yes N4B H4B1 O35 0.88 2.52 3.319(10) 151.4 2_656 yes N4B H4B1 O15 0.88 2.55 3.060(8) 117.5 4_565 yes N5B H5B1 O1HB 0.88 2.44 2.933(14) 115.6 . yes N5B H5B1 O123 0.88 2.19 2.742(6) 120.6 3_667 yes N1G H1G2 O3G 0.88 1.98 2.584(6) 124.6 . yes N1G H1G1 O1HG 0.88 2.10 2.875(9) 146.3 . yes N1G H1G2 O123 0.88 2.49 2.809(5) 102.4 3_667 yes N1G H1G2 O2 0.88 2.85 3.464(4) 128.2 3_667 yes N2G H2G1 O1HG 0.88 2.20 2.946(13) 142.6 . yes N2G H2G2 O3 0.88 2.18 2.894(9) 137.8 . yes N2G H2G2 O2 0.88 2.76 3.476(11) 139.7 . yes N2G H2G1 O35 0.88 3.07 3.465(8) 109.9 2_656 yes N2G H2G1 O231 0.88 2.76 3.538(9) 147.5 2_656 yes N2G H2G2 O15 0.88 2.71 3.186(7) 114.9 4_565 yes N3G H3G O2 0.88 2.60 3.404(4) 152.2 . yes N3G H3G O123 0.88 2.35 3.031(4) 134.3 . yes N3G H3G O25 0.88 3.04 3.785(4) 144.3 . yes N4G H4G2 O123 0.88 2.66 3.293(6) 129.4 . yes N4G H4G2 O25 0.88 2.44 3.290(6) 161.8 . yes N4G H4G2 O15 0.88 2.28 2.904(5) 127.6 . yes N4G H4G1 O3 0.88 2.55 3.153(5) 126.1 4_566 yes N4G H4G1 O231 0.88 2.23 3.045(6) 154.0 4_566 yes 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 O15 V1 O14 V4 179.98(3) 3_657 . . . ? O231 V1 O14 V4 79.33(4) . . . . ? O123 V1 O14 V4 -82.35(4) 3_657 . . . ? O1 V1 O14 V4 -1.84(3) . . . . ? O1 V1 O14 V4 -9.59(15) 3_657 . . . ? O2 V2 O24 V4 174.40(4) . . . . ? O25 V2 O24 V4 69.74(4) . . . . ? O231 V2 O24 V4 -84.71(4) . . . . ? O123 V2 O24 V4 -28.62(9) . . . . ? O1 V2 O24 V4 -9.58(4) . . . . ? O2 V2 O25 V5 -176.09(4) . . . . ? O24 V2 O25 V5 -70.29(4) . . . . ? O231 V2 O25 V5 33.10(9) . . . . ? O123 V2 O25 V5 85.41(4) . . . . ? O1 V2 O25 V5 10.09(4) . . . . ? O3 V3 O35 V5 -176.32(4) . . . 3_657 ? O34 V3 O35 V5 -70.46(4) 3_657 . . 3_657 ? O231 V3 O35 V5 84.85(4) . . . 3_657 ? O123 V3 O35 V5 29.97(9) . . . 3_657 ? O1 V3 O35 V5 9.14(4) 3_657 . . 3_657 ? V2 O24 V4 O4 -177.77(4) . . . . ? V2 O24 V4 O54 -72.47(4) . . . . ? V2 O24 V4 O34 24.73(10) . . . . ? V2 O24 V4 O14 84.18(4) . . . . ? V2 O24 V4 O1 9.41(3) . . . . ? V3 O34 V4 O4 176.10(4) 3_657 . . . ? V3 O34 V4 O54 71.05(4) 3_657 . . . ? V3 O34 V4 O24 -26.22(9) 3_657 . . . ? V3 O34 V4 O14 -85.93(4) 3_657 . . . ? V3 O34 V4 O1 -10.85(3) 3_657 . . . ? V2 O25 V5 O5 175.17(4) . . . . ? V2 O25 V5 O54 71.31(4) . . . . ? V2 O25 V5 O35 -23.00(10) . . . 3_657 ? V2 O25 V5 O15 -84.53(4) . . . . ? V2 O25 V5 O1 -9.84(4) . . . . ? O4 V4 O54 V5 -179.50(4) . . . . ? O24 V4 O54 V5 76.99(4) . . . . ? O34 V4 O54 V5 -78.29(4) . . . . ? O14 V4 O54 V5 -2.74(10) . . . . ? O1 V4 O54 V5 -1.03(3) . . . . ? O5 V5 O54 V4 179.88(4) . . . . ? O25 V5 O54 V4 -76.65(4) . . . . ? O35 V5 O54 V4 78.21(4) 3_657 . . . ? O15 V5 O54 V4 4.39(10) . . . . ? O1 V5 O54 V4 1.03(3) . . . . ? N1M C1M N3M C2M -154.59(10) . . . . ? N2M C1M N3M C2M 28.55(15) . . . . ? C1M N3M C2M N4M -141.50(10) . . . . ? C1M N3M C2M N5M 40.53(14) . . . . ? N5M C2M N4M C4M 9.40(14) . . . . ? N3M C2M N4M C4M -168.47(9) . . . . ? N5M C2M N4M C3M -175.22(10) . . . . ? N3M C2M N4M C3M 6.90(14) . . . . ? N5B C3B N3B C1B -15.8(5) . . . . ? N4B C3B N3B C1B 164.2(5) . . . . ? C3B N3B C1B N1B 21.0(5) . . . . ? C3B N3B C1B N2B -159.0(5) . . . . ? N1G C1G N3G C3G 12.2(5) . . . . ? N2G C1G N3G C3G -167.8(5) . . . . ? C1G N3G C3G N4G 179.7(3) . . . . ? C1G N3G C3G O3G -0.3(3) . . . . ? loop_ _publcif_info_cif.paper_type CB loop_ _publcif_info_datablock.id _publcif_info_datablock.publ_exptl _publcif_info_datablock.publ_geom _publcif_info_datablock.structure {b27542d7-25ad-45f8-a1bb-4c82666715fb} y y y loop_ _publcif_info_exptl_table_extra_item sin_theta_over_lambda_max loop_ _publcif_info_exptl_table_header_item ? loop_ _publcif_info_tables.block_id _publcif_info_tables.reference_item {b27542d7-25ad-45f8-a1bb-4c82666715fb} '_geom_hbond_atom_site_label_D' {b27542d7-25ad-45f8-a1bb-4c82666715fb} '_publcif_info_datablock.publ_exptl' _cod_database_fobs_code 2312595