#------------------------------------------------------------------------------ #$Date: 2020-05-06 02:47:58 +0300 (Wed, 06 May 2020) $ #$Revision: 251790 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/04/7240452.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7240452 loop_ _publ_author_name 'Mian, Mohammad Rasel' 'Afrin, Unjila' 'Iguchi, Hiroaki' 'Takaishi, Shinya' 'Yoshida, Takefumi' 'Miyamoto, Tatsuya' 'Okamoto, Hiroshi' 'Tanaka, Hisaaki' 'Kuroda, Shin-ichi' 'Yamashita, Masahiro' _publ_section_title ; Conductive zigzag Pd(III)--Br chain complex realized by multiple-hydrogen-bond approach ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D0CE00332H _journal_year 2020 _chemical_absolute_configuration rmad _chemical_formula_moiety 'C8 H24 Br N4 O4 Pd 2+, S O4 2-, 3(O H2)' _chemical_formula_sum 'C8 H30 Br N4 O11 Pd S' _chemical_formula_weight 576.73 _space_group_crystal_system orthorhombic _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2020-04-23 deposited with the CCDC. 2020-05-05 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.4228(3) _cell_length_b 10.2975(3) _cell_length_c 21.9679(6) _cell_measurement_reflns_used 5713 _cell_measurement_temperature 93(2) _cell_measurement_theta_max 29.5710 _cell_measurement_theta_min 2.5700 _cell_volume 1905.36(10) _computing_cell_refinement 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)' _computing_molecular_graphics 'Yadokari-XG (Wakita, Nemoto et al., 2009)' _computing_publication_material 'Yadokari-XG (Wakita, Nemoto et al., 2009)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution Sir2019 _diffrn_ambient_temperature 93(2) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.904 _diffrn_measurement_device_type 'XtaLAB AFC10 (RCD3): fixed-chi single' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0205 _diffrn_reflns_av_unetI/netI 0.0280 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.904 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_number 12855 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.852 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.666 _diffrn_reflns_theta_min 2.590 _diffrn_source 'Rotating-anode X-ray tube' _exptl_absorpt_coefficient_mu 3.241 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.91231 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour brown _exptl_crystal_density_diffrn 2.010 _exptl_crystal_description needle _exptl_crystal_F_000 1164 _exptl_crystal_size_max 0.150 _exptl_crystal_size_mid 0.030 _exptl_crystal_size_min 0.020 _refine_diff_density_max 1.356 _refine_diff_density_min -0.654 _refine_diff_density_rms 0.095 _refine_ls_abs_structure_details ; Flack x determined using 1572 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.008(5) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.039 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 263 _refine_ls_number_reflns 4590 _refine_ls_number_restraints 9 _refine_ls_restrained_S_all 1.039 _refine_ls_R_factor_all 0.0299 _refine_ls_R_factor_gt 0.0255 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0150P)^2^+2.7450P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0508 _refine_ls_wR_factor_ref 0.0519 _reflns_Friedel_coverage 0.661 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 0.784 _reflns_number_gt 4212 _reflns_number_total 4590 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ce00332h2.cif _cod_data_source_block 200328RaselPdBrSO4_2-93K _cod_database_code 7240452 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.642 _shelx_estimated_absorpt_t_max 0.938 _oxdiff_exptl_absorpt_empirical_full_min 0.896 _oxdiff_exptl_absorpt_empirical_full_max 1.138 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _shelx_res_file ; TITL 200328RaselPdBrSO4_2-93K 200328RaselPdBrSO4_2-93K.res created by SHELXL-2018/3 at 13:37:20 on 29-Mar-2020 REM Yadorkari-X generated CELL 0.71073 8.4228 10.2975 21.9679 90.0000 90.0000 90.0000 ZERR 4.0 0.0003 0.0003 0.0006 0.0000 0.0000 0.0000 LATT -1 SYMM 1/2-X, -Y, 1/2+Z SYMM 1/2+X, 1/2-Y, -Z SYMM -X, 1/2+Y, 1/2-Z REM SPGR P212121 orthorhombic SFAC C H N O S Br Pd UNIT 32 120 16 44 4 4 4 SIZE 0.15 0.03 0.02 TEMP -180.0 L.S. 10 FMAP 2 PLAN -25 ACTA CONF LIST 4 DFIX 0.84 O9 H9A O9 H9B DANG 1.33 H9A H9B DFIX 0.84 O10 H10A O10 H10B DANG 1.33 H10A H10B DFIX 0.84 O11 H11A O11 H11B DANG 1.33 H11A H11B EQIV $1 -x, -0.5+y, 1.5-z RTAB dist Pd1 Pd1_$1 WGHT 0.015000 2.745000 FVAR 0.36567 O1 4 -0.052771 0.572427 0.541823 11.00000 0.00828 0.01558 = 0.01356 -0.00554 -0.00072 -0.00001 AFIX 147 H1B 2 -0.147808 0.548334 0.539219 11.00000 -1.50000 AFIX 0 C1 1 -0.047324 0.708503 0.553765 11.00000 0.01020 0.01300 = 0.00893 0.00081 -0.00116 -0.00051 AFIX 23 H1C 2 -0.154743 0.745897 0.548529 11.00000 -1.20000 H1D 2 0.024286 0.750877 0.524058 11.00000 -1.20000 AFIX 0 C2 1 0.011526 0.736255 0.618299 11.00000 0.00740 0.00703 = 0.00692 0.00131 0.00056 -0.00184 AFIX 13 H2C 2 0.023530 0.832400 0.622752 11.00000 -1.20000 AFIX 0 C3 1 0.170204 0.673649 0.633811 11.00000 0.00866 0.00618 = 0.00608 -0.00175 -0.00028 -0.00025 AFIX 13 H3C 2 0.159700 0.577427 0.629166 11.00000 -1.20000 AFIX 0 C4 1 0.302048 0.721025 0.591619 11.00000 0.00877 0.02465 = 0.00759 -0.00165 -0.00099 -0.00159 AFIX 23 H4D 2 0.278375 0.693098 0.549463 11.00000 -1.20000 H4C 2 0.304797 0.817130 0.592203 11.00000 -1.20000 AFIX 0 O2 4 0.452841 0.672427 0.608905 11.00000 0.00601 0.02203 = 0.01643 -0.00997 0.00037 -0.00035 AFIX 147 H2B 2 0.493927 0.722446 0.634677 11.00000 -1.50000 AFIX 0 N1 3 -0.105089 0.691189 0.664607 11.00000 0.00439 0.00682 = 0.00585 -0.00039 -0.00299 -0.00078 AFIX 23 H1 2 -0.135434 0.608196 0.656412 11.00000 -1.20000 H1A 2 -0.192871 0.742684 0.663907 11.00000 -1.20000 AFIX 0 N2 3 0.208033 0.703345 0.698809 11.00000 0.00634 0.00664 = 0.00553 -0.00067 -0.00004 -0.00053 AFIX 23 H2 2 0.254275 0.782979 0.701668 11.00000 -1.20000 H2A 2 0.276984 0.643242 0.713753 11.00000 -1.20000 AFIX 0 PD1 7 0.000583 0.700199 0.748123 11.00000 0.00436 0.00393 = 0.00438 -0.00002 0.00002 0.00000 BR1 6 -0.014833 0.950949 0.743726 11.00000 0.00784 0.00399 = 0.00903 -0.00008 -0.00014 -0.00014 O3 4 -0.328954 0.877425 0.895036 11.00000 0.01719 0.01437 = 0.01825 -0.00559 0.00156 0.00353 AFIX 147 H3B 2 -0.357216 0.899661 0.859878 11.00000 -1.50000 AFIX 0 C5 1 -0.317098 0.740263 0.897965 11.00000 0.00967 0.01314 = 0.01170 -0.00059 0.00333 -0.00300 AFIX 23 H5 2 -0.416049 0.701614 0.881738 11.00000 -1.20000 H5A 2 -0.307106 0.713684 0.941105 11.00000 -1.20000 AFIX 0 C6 1 -0.176274 0.686692 0.862368 11.00000 0.00963 0.00725 = 0.00646 0.00156 0.00103 -0.00097 AFIX 13 H6 2 -0.164330 0.592647 0.872752 11.00000 -1.20000 AFIX 0 C7 1 -0.020106 0.755159 0.877179 11.00000 0.00882 0.01046 = 0.00609 0.00105 0.00141 0.00146 AFIX 13 H7 2 -0.037062 0.850947 0.873465 11.00000 -1.20000 AFIX 0 C8 1 0.036671 0.726038 0.941548 11.00000 0.01195 0.01784 = 0.00739 -0.00039 -0.00200 0.00065 AFIX 23 H8 2 0.142158 0.766099 0.948064 11.00000 -1.20000 H8A 2 -0.038219 0.764348 0.971279 11.00000 -1.20000 AFIX 0 O4 4 0.047088 0.590073 0.951193 11.00000 0.01187 0.02398 = 0.01667 0.01181 -0.00148 0.00221 AFIX 147 H4B 2 0.142905 0.568426 0.954276 11.00000 -1.50000 AFIX 0 N3 3 -0.207776 0.697179 0.795638 11.00000 0.00592 0.00662 = 0.00619 -0.00019 0.00040 -0.00101 AFIX 23 H3 2 -0.263412 0.771125 0.787928 11.00000 -1.20000 H3A 2 -0.267523 0.628428 0.783285 11.00000 -1.20000 AFIX 0 N4 3 0.101879 0.715403 0.831754 11.00000 0.00570 0.00584 = 0.00724 0.00175 -0.00008 0.00059 AFIX 23 H4 2 0.144635 0.637684 0.842707 11.00000 -1.20000 H4A 2 0.181243 0.775322 0.830690 11.00000 -1.20000 AFIX 0 O5 4 0.414234 0.460921 0.725212 11.00000 0.01876 0.07207 = 0.00897 0.00038 0.00194 -0.00040 S1 5 0.454257 0.447448 0.789907 11.00000 0.00587 0.00835 = 0.00947 0.00024 -0.00038 -0.00027 O6 4 0.379882 0.547843 0.826882 11.00000 0.01631 0.02705 = 0.04435 -0.01911 -0.00554 0.00732 O7 4 0.396528 0.318395 0.810057 11.00000 0.01173 0.02826 = 0.04913 0.02309 -0.00942 -0.00645 O8 4 0.628430 0.451836 0.797762 11.00000 0.00575 0.00930 = 0.02706 0.00330 -0.00118 0.00134 O9 4 0.703453 0.440380 0.655517 11.00000 0.00928 0.01774 = 0.01025 0.00181 -0.00011 0.00256 O10 4 0.635548 0.526261 0.535518 11.00000 0.00928 0.01725 = 0.01610 -0.00618 -0.00117 -0.00038 O11 4 0.660009 0.006260 0.548762 11.00000 0.02554 0.11315 = 0.01527 -0.01452 0.00288 -0.03311 H9A 2 0.665250 0.450417 0.622481 11.00000 0.01888 H10A 2 0.571865 0.576714 0.551937 11.00000 0.05018 H9B 2 0.634544 0.450009 0.682362 11.00000 0.03855 H11B 2 0.591705 -0.013053 0.523938 11.00000 0.06580 H10B 2 0.582228 0.490601 0.508722 11.00000 0.07364 H11A 2 0.622414 0.026483 0.581737 11.00000 0.07895 HKLF 4 1 1 0 0 0 1 0 0 0 1 REM 200328RaselPdBrSO4_2-93K REM wR2 = 0.0519, GooF = S = 1.039, Restrained GooF = 1.039 for all data REM R1 = 0.0255 for 4212 Fo > 4sig(Fo) and 0.0299 for all 4590 data REM 263 parameters refined using 9 restraints END WGHT 0.0150 2.7409 REM Highest difference peak 1.356, deepest hole -0.654, 1-sigma level 0.095 Q1 1 -0.6054 0.5867 0.7907 11.00000 0.05 1.36 Q2 1 0.6254 0.8688 0.6595 11.00000 0.05 1.09 Q3 1 -0.5559 0.3797 0.7298 11.00000 0.05 0.98 Q4 1 -0.3974 0.5779 0.7908 11.00000 0.05 0.59 Q5 1 0.3858 0.8771 0.6666 11.00000 0.05 0.52 Q6 1 -0.4236 0.3805 0.7204 11.00000 0.05 0.42 Q7 1 -0.0097 0.7383 0.9063 11.00000 0.05 0.40 Q8 1 0.4077 0.7857 0.6866 11.00000 0.05 0.39 Q9 1 -0.2365 0.7149 0.8828 11.00000 0.05 0.38 Q10 1 0.0617 0.7604 0.7730 11.00000 0.05 0.34 Q11 1 -0.5808 0.4661 0.7598 11.00000 0.05 0.34 Q12 1 0.6426 0.8993 0.7486 11.00000 0.05 0.34 Q13 1 -0.5986 0.4970 0.7918 11.00000 0.05 0.34 Q14 1 -0.0798 0.5109 0.7405 11.00000 0.05 0.34 Q15 1 0.0043 0.5427 0.5632 11.00000 0.05 0.33 Q16 1 -0.5786 0.2219 0.7784 11.00000 0.05 0.33 Q17 1 0.1031 0.9152 0.7667 11.00000 0.05 0.33 Q18 1 0.0757 0.6354 0.7767 11.00000 0.05 0.33 Q19 1 -0.3725 0.8853 0.8330 11.00000 0.05 0.33 Q20 1 -0.0444 0.7017 0.6386 11.00000 0.05 0.31 Q21 1 -0.1339 0.6649 0.7585 11.00000 0.05 0.31 Q22 1 -0.5645 0.6361 0.7595 11.00000 0.05 0.31 Q23 1 0.4135 0.7275 0.7387 11.00000 0.05 0.31 Q24 1 -0.4007 0.4648 0.7616 11.00000 0.05 0.31 Q25 1 0.0577 0.7003 0.8595 11.00000 0.05 0.31 ; _shelx_res_checksum 39329 _shelx_hkl_file ; 0 0 3-0.91233 1.81111 3 0 0 -3 0.08336 1.55062 3 0 0 -4 5948.79 106.166 3 0 0 4 5901.69 106.116 3 0 0 4 5764.27 107.502 2 0 0 -5 2.10001 2.50918 3 0 0 5 3.44939 2.68245 3 0 0 5 1.84975 3.47328 2 0 0 -6 7935.92 143.269 3 0 0 6 7940.14 143.240 3 0 0 6 7884.97 145.441 2 0 0 -7-0.39123 3.07059 3 0 0 7 2.69154 3.31660 3 0 0 7 4.25542 4.10293 2 0 0 -7-0.30714 4.70452 2 0 0 8 2965.27 55.5865 3 0 0 -8 2872.44 55.5276 3 0 0 -8 2844.23 57.8899 2 0 0 8 2874.99 58.3106 2 0 0 9 1.47940 3.77668 3 0 0 -9 0.25167 3.31704 3 0 0 9 2.12228 4.42444 2 0 0 -9-1.56845 5.07449 2 0 0 -10 6308.24 118.465 3 0 0 10 6474.68 118.459 3 0 0 -10 6485.26 121.649 2 0 0 10 6301.11 122.157 2 0 0 11 2.42401 4.24794 3 0 0 -11-3.67270 3.92796 3 0 0 -11 2.39100 5.69588 2 0 0 11 4.21085 4.73639 2 0 0 -12 477.428 14.2584 3 0 0 12 499.276 14.6108 3 0 0 -12 483.755 16.9781 2 0 0 12 499.619 17.7605 2 0 0 13 2.84742 4.71926 3 0 0 -13 3.22296 4.16036 3 0 0 13 2.52531 6.19223 2 0 0 -13 1.12916 6.40573 2 0 0 -14 5865.76 111.512 3 0 0 14 5924.59 111.580 3 0 0 -14 5898.68 115.653 2 0 0 14 5815.48 117.105 2 0 0 -15-3.28470 4.78200 3 0 0 15-2.22647 7.01238 2 0 0 15 3.25287 5.45430 3 0 0 16 2319.72 54.8825 2 0 0 -16 2277.65 48.8219 3 0 0 -17 5.97161 5.49870 3 0 0 17 2.53745 8.05398 2 0 0 18 1269.06 37.6133 2 0 0 -18 1328.64 31.9351 3 0 0 -19-0.50929 5.74733 3 0 0 19 13.4152 9.22787 2 0 0 20 4259.43 95.7247 2 0 0 -20 4431.94 87.6467 3 0 0 21 19.2492 9.54182 2 0 0 -21 4.98799 6.68357 3 0 0 22 2512.58 63.7685 2 0 0 -22 2485.80 54.7515 3 0 0 23 17.6400 11.1991 2 0 0 -23 8.25653 7.16294 3 0 0 24 3031.50 75.9173 2 0 0 -24 3122.08 66.1264 3 0 0 25 10.2408 11.4200 2 0 0 -25-0.62021 7.89268 3 0 0 26 1923.28 56.3729 2 0 0 27 5.56507 13.1968 2 0 1 -2 1.46717 1.73554 2 0 -1 2 3.14698 1.69040 2 0 1 -3 57.1745 3.61234 2 0 -1 3 64.1209 3.37474 2 0 1 -3 63.4711 3.80978 3 0 -1 -4 1304.17 24.2849 3 0 1 4 1312.78 24.2731 3 0 -1 4 1257.00 26.1233 2 0 1 -4 1254.24 26.2067 2 0 -1 4 1308.87 26.4942 3 0 1 -4 1276.44 26.4412 3 0 -1 -5 325.946 7.55273 3 0 1 -5 308.998 9.68965 2 0 -1 5 320.688 9.64200 2 0 1 5 323.622 7.54109 3 0 -1 5 320.262 9.60714 3 0 1 -5 297.917 9.35933 3 0 -1 -6 2045.87 39.0219 3 0 1 -6 2138.32 41.7050 2 0 -1 6 2042.25 41.7874 2 0 -1 6 2077.63 41.3792 3 0 1 -6 2073.68 41.4149 3 0 1 6 2086.42 38.9579 3 0 -1 -7 329.124 8.57942 3 0 -1 7 319.256 11.0546 2 0 1 -7 334.720 11.0138 2 0 1 7 330.422 8.55607 3 0 1 -7 316.700 10.3719 3 0 -1 7 330.397 10.6536 3 0 -1 -8 679.025 15.3260 3 0 -1 8 666.854 18.3771 2 0 1 -8 689.036 18.2842 2 0 1 -8 655.836 17.3373 3 0 -1 8 724.943 17.7905 3 0 1 8 683.653 15.3239 3 0 -1 -9 211.885 7.17030 3 0 1 -9 204.425 9.58857 2 0 -1 9 211.954 9.64981 2 0 1 -9 204.165 8.75784 3 0 1 9 202.091 7.10659 3 0 -1 9 204.788 8.86194 3 0 -1 -10 8.87256 3.41144 3 0 1 -10 13.8120 5.52976 2 0 -1 10 8.71667 5.24942 2 0 -1 10 3.76488 4.70733 3 0 1 10 9.53571 3.49978 3 0 1 -10 11.8199 4.47400 3 0 -1 -11 14.8629 3.63992 3 0 1 -11 5.51420 5.43698 2 0 -1 11 11.2120 5.53164 2 0 1 11 11.5703 5.87333 2 0 -1 11 7.36271 4.97080 3 0 1 -11 13.5325 4.70556 3 0 1 11 12.3431 3.82030 3 0 -1 -12 149.321 7.08028 3 0 -1 12 152.061 9.99538 2 0 1 -12 181.631 10.4051 2 0 1 12 159.039 10.4020 2 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97.7651 7.81574 3 -1 2 17 96.8189 11.1640 2 1 -2 16 28.6360 8.13856 2 1 -2 16 21.5506 7.51078 3 1 2 -16 21.5466 6.62931 3 1 2 -16 21.2310 6.38121 3 -1 -2 -16 11.1652 5.09057 3 -1 2 16 20.4682 7.93946 2 1 2 -15 273.710 12.9036 3 1 -2 15 290.161 13.6475 3 1 2 -15 270.460 11.9564 3 -1 -2 -15 258.376 10.9954 3 1 -2 15 298.083 15.2411 2 -1 2 15 294.659 15.4763 2 1 -2 14 12.4639 6.42219 2 1 -2 14 13.0192 6.57822 3 1 2 -14 16.1307 5.94359 3 1 2 -14 26.0618 6.02396 3 1 2 -14 16.9816 6.67385 2 -1 2 14 28.3356 7.52762 2 -1 -2 -14 15.1830 4.81254 3 1 -2 13 56.5360 8.24767 2 1 -2 13 53.3021 7.66300 3 1 2 -13 51.0802 6.71941 3 1 2 -13 60.2057 6.73085 3 -1 2 13 50.6548 8.35913 2 -1 -2 -13 53.5875 8.41063 2 1 2 -13 56.0111 7.21108 2 -1 -2 -13 49.8522 5.52296 3 1 -2 12 64.6097 8.04225 2 1 -2 12 63.9917 7.28472 3 1 2 -12 61.2747 6.79037 3 1 2 -12 61.6373 6.37817 3 -1 -2 -12 63.3223 8.08874 2 1 2 -12 59.7931 7.03820 2 -1 -2 -12 62.9970 5.50804 3 1 -2 11 29.9636 6.38993 2 1 2 -11 31.7971 5.60882 3 1 -2 11 37.6376 6.42937 3 1 2 -11 42.8990 5.57561 3 1 2 -11 34.2201 6.05653 2 -1 -2 -11 28.2465 6.72199 2 -1 -2 -11 33.5090 4.69825 3 1 -2 10 429.157 14.6977 3 1 2 -10 420.513 14.4126 3 -1 -2 -10 428.812 15.4691 2 1 2 -10 448.392 14.0912 2 1 2 -10 430.524 13.8066 3 -1 -2 -10 416.478 12.4188 3 1 -2 10 405.344 15.0759 2 1 -2 9 259.597 10.9860 3 1 2 -9 252.711 10.6170 3 -1 -2 -9 259.273 11.5313 2 1 2 -9 259.958 10.0710 2 1 2 -9 250.791 9.87524 3 -1 -2 -9 249.463 8.88950 3 1 -2 9 249.755 10.9477 2 1 -2 8 135.697 8.09761 3 1 2 -8 142.145 7.64295 3 1 2 -8 134.936 7.14223 2 -1 -2 -8 146.212 8.44741 2 -1 -2 -8 132.020 6.23113 3 1 -2 8 131.060 7.93115 2 1 -2 7 149.214 7.97346 3 -1 -2 -7 115.569 5.80330 3 1 2 -7 122.366 6.44255 2 1 2 -7 140.371 7.19767 3 -1 -2 -7 119.969 7.55601 2 1 -2 7 116.472 7.28948 2 1 2 -6 62.6900 5.61307 3 1 2 -6 67.3969 4.83519 2 1 -2 6 73.8130 5.83553 2 -1 -2 -6 72.1295 4.65822 3 -1 -2 -6 66.9963 6.02417 2 1 2 -5 152.020 7.15871 3 -1 -2 -5 133.811 7.03492 2 1 2 -5 141.273 5.59897 2 -1 -2 -5 139.818 5.92284 3 1 2 -4 561.560 14.7869 3 1 2 -4 574.688 12.5737 2 -1 -2 -4 560.618 14.4284 2 -1 -2 -4 585.854 13.7997 3 1 -2 3 530.958 15.3728 3 -1 2 3 623.496 12.2632 3 -1 -2 -3 628.321 14.3698 2 1 2 -3 568.859 14.8621 3 -1 -2 -3 612.862 14.2799 3 -1 2 2 2017.45 37.1918 3 1 -2 2 1890.45 39.4625 3 -1 -2 -2 1997.92 37.9301 2 1 -2 2 2007.33 39.4773 1 -1 -2 -2 1972.04 38.7253 3 -1 2 1 4571.49 82.7431 3 1 -2 1 4585.09 83.8033 3 -1 -2 -1 4471.60 81.9898 2 1 -2 1 4598.37 84.2953 1 -1 -2 -1 4488.39 83.7405 3 -1 2 0 4157.03 76.5243 1 1 -2 0 4152.28 76.6224 1 -1 -2 0 4083.77 76.2840 3 1 -2 0 4113.75 75.6485 3 -1 2 0 4020.78 75.6538 3 -1 2 -1 4441.94 83.6502 1 1 -2 -1 4583.91 82.2986 3 -1 2 -1 4412.39 83.3973 3 1 2 1 4493.26 83.2173 3 1 2 1 4538.17 81.5516 2 1 -2 -2 1896.03 35.1682 3 1 2 2 1849.87 35.8158 2 1 2 2 1840.29 36.4595 3 -1 -2 3 701.483 14.3243 2 1 2 3 739.598 16.4670 2 1 2 3 734.249 16.2156 3 -1 2 -4 620.262 15.8510 2 -1 -2 4 587.335 15.5497 3 1 2 4 644.422 15.4781 2 -1 -2 4 612.661 13.4786 2 1 2 4 631.112 14.5616 3 -1 -2 5 155.422 7.44655 3 1 2 5 169.447 6.50345 3 -1 -2 5 164.045 6.02376 2 1 2 5 167.045 7.40049 2 -1 2 -5 177.903 7.74723 2 -1 2 -6 36.1169 5.16941 2 -1 2 -6 30.2493 4.86706 3 -1 -2 6 37.4791 4.76222 3 1 2 6 42.3454 4.20065 3 -1 -2 6 35.5216 3.98584 2 1 2 6 38.1899 4.70031 2 -1 2 -7 97.1855 6.91366 2 -1 2 -7 101.838 6.85597 3 1 2 7 83.2949 6.76866 2 -1 -2 7 93.2010 5.62935 2 1 2 7 90.3549 5.33287 3 -1 2 -8 132.956 8.05165 3 -1 -2 8 135.675 7.34066 2 -1 2 -8 156.101 8.55768 2 1 2 8 160.976 8.96657 2 1 2 8 149.734 6.58575 3 -1 2 -9 293.034 11.8640 3 1 2 9 300.034 9.72795 3 -1 2 -9 331.346 12.4760 2 1 2 9 292.641 12.5195 2 -1 -2 9 301.130 11.1998 2 -1 2 -10 373.085 13.7522 3 1 2 10 370.683 11.2804 3 1 -2 -10 372.877 8.09276 3 1 2 10 334.549 14.3098 2 -1 -2 10 345.572 13.0910 2 -1 2 -10 360.951 13.7796 2 1 -2 -10 374.117 8.17851 3 1 -2 -11 58.7214 3.00343 3 1 -2 -11 61.7662 3.15474 3 1 2 11 56.7384 5.27768 3 -1 2 -11 55.3782 6.59234 3 1 2 11 51.1015 7.30510 2 -1 2 -11 52.0255 7.05950 2 -1 -2 11 63.2386 6.89519 2 1 2 12 88.9776 6.29327 3 1 -2 -12 84.2240 3.82009 3 1 2 12 55.7395 8.37416 2 -1 2 -12 79.2714 8.06375 2 -1 -2 12 79.6636 7.84732 2 -1 2 -12 72.8350 7.60052 3 1 -2 -12 76.2152 3.81181 3 1 -2 -13 64.8468 3.79833 3 1 2 13 59.3246 5.99595 3 -1 2 -13 72.0844 7.76370 3 1 -2 -13 70.3075 3.98154 3 -1 2 -13 72.6772 8.15090 2 -1 -2 13 63.5018 7.28053 2 1 2 13 68.1886 8.98889 2 1 2 14 40.9192 5.90143 3 1 -2 -14 35.2905 3.51849 3 1 -2 -14 35.2403 3.58038 3 -1 2 -14 27.7999 6.52861 3 -1 -2 14 30.2842 6.77067 2 -1 2 -14 32.4852 7.84041 2 -1 2 -15 200.922 11.7126 3 1 2 15 226.308 10.0447 3 1 -2 -15 215.061 7.17540 3 1 -2 -15 201.279 7.23392 3 -1 -2 15 209.170 12.6598 2 1 2 16 21.5902 6.27582 3 1 -2 -16 26.6120 3.98043 3 -1 2 -16 23.4364 7.02424 3 1 -2 -16 24.4319 3.89186 3 -1 -2 16 26.8081 7.66066 2 1 2 17 73.8741 7.70655 3 1 -2 -17 76.7502 5.13584 3 1 -2 -17 75.9824 5.17391 3 -1 2 -17 76.5879 9.09181 3 -1 -2 17 78.5688 9.79997 2 1 2 18 198.668 10.8787 3 -1 2 -18 165.203 12.1798 3 1 -2 -18 179.488 7.31371 3 1 -2 -18 181.486 7.68706 3 -1 -2 18 186.018 13.5126 2 1 2 19 16.5314 8.24494 3 1 -2 -19 17.5575 4.37856 3 1 -2 -19 23.0949 4.46888 3 -1 2 -19 26.4796 8.36504 3 -1 -2 19 34.4261 9.46896 2 1 2 20 272.742 13.6330 3 -1 2 -20 242.473 14.5389 3 1 -2 -20 251.849 9.15767 3 -1 -2 20 269.099 16.6599 2 1 -2 -20 261.870 9.56896 3 1 2 21 213.950 13.3221 3 -1 2 -21 224.550 13.9633 3 -1 -2 21 245.308 16.4079 2 1 -2 -21 217.806 9.02763 3 1 -2 -22 66.2716 6.21854 3 -1 2 -22 63.0118 10.5051 3 -1 -2 22 61.0842 11.6436 2 -1 2 -23 526.806 21.6612 3 -1 -2 23 555.883 24.8661 2 -1 2 -24 243.460 16.0714 3 1 2 24 224.389 19.0996 2 -1 -2 24 261.979 18.3912 2 -1 2 -25 564.492 23.4081 3 1 2 25 592.814 28.7075 2 -1 -2 25 600.799 27.3965 2 1 2 26 195.275 19.2516 2 -1 -2 26 217.613 18.7135 2 -1 2 -26 202.913 15.4648 3 -1 -2 27 217.301 19.2797 2 -1 2 -27 192.788 15.7719 3 -1 -2 28 112.978 17.3339 2 -1 2 -28 76.3910 13.1740 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13.5112 2 -2 -4 20 58.7566 10.3218 2 -2 4 -21 1929.17 50.7977 3 -2 -4 21 1902.04 49.3903 2 2 4 21 1924.92 53.8638 2 -2 4 -22 288.527 18.0990 3 2 4 22 255.817 19.6633 2 -2 4 -23 1547.32 45.1641 3 2 4 23 1570.82 48.5957 2 -2 -4 23 1629.00 44.9466 2 -2 4 -24 167.294 15.8349 3 -2 -4 24 180.261 15.8062 2 2 4 24 147.543 18.0661 2 -2 4 -25 1223.51 39.5972 3 -2 -4 25 1298.31 40.3715 2 2 4 25 1297.23 44.5760 2 -2 -4 26 118.495 15.3986 2 -2 4 -26 119.987 15.7361 3 -2 -4 27 1374.18 43.2431 2 -2 4 -27 1339.65 42.1893 3 -2 -4 28 57.5515 14.9364 2 2 5 -27 147.576 15.9397 3 2 5 -26 39.9979 13.2407 3 2 5 -25 297.443 19.4094 3 2 5 -24 44.6775 12.4110 3 2 5 -23 134.933 14.4307 3 2 5 -22 104.903 13.9406 3 -2 -5 -21 96.7686 8.80488 3 2 5 -21 99.2060 13.2780 3 -2 -5 -20 23.4123 6.82908 3 2 5 -20 31.1422 10.8876 3 2 5 -19 47.0456 10.3323 3 -2 -5 -19 42.3688 7.28328 3 -2 5 19 72.0856 12.3414 2 2 5 -18 100.892 12.2221 3 -2 -5 -18 81.2576 7.95584 3 -2 5 18 76.9481 12.4331 2 2 5 -17 22.8969 10.0011 3 -2 -5 -17 28.0199 6.85686 3 -2 5 17 19.1495 10.3682 2 2 5 -16 235.541 15.0843 3 -2 -5 -16 214.562 11.0698 3 -2 5 16 191.208 15.0419 2 2 5 -15 129.483 12.5502 3 -2 -5 -15 132.423 8.92269 3 -2 5 15 129.210 12.7063 2 2 5 -14 77.5735 10.5159 3 -2 -5 -14 84.5695 7.74118 3 -2 5 14 88.6699 11.2587 2 2 5 -13 195.380 13.7788 3 -2 -5 -13 190.146 10.1278 3 -2 -5 -12 174.739 9.60193 3 -2 -5 -11 385.479 14.0087 3 -2 -5 -10 134.700 8.50679 3 -2 -5 -9 163.354 8.99436 3 2 -5 8 27.9085 7.78055 3 -2 -5 -8 32.5673 5.69108 3 2 5 -8 35.9378 7.04262 3 -2 5 8 39.0556 3.09783 3 -2 5 8 36.7790 2.99948 3 2 -5 7 182.132 11.2179 3 -2 5 7 155.760 5.93329 3 2 -5 7 161.730 10.1247 1 -2 5 7 168.966 5.77136 3 -2 -5 -7 169.712 9.10749 3 2 5 -7 166.981 10.1439 3 2 -5 6 14.3900 6.43927 3 2 5 -6 11.6684 5.90415 3 -2 -5 -6 23.3203 5.24297 3 -2 5 6 21.8258 3.55676 3 -2 5 6 23.0395 3.63890 3 2 -5 6 16.3672 6.03276 1 -2 5 5 370.993 10.8384 3 2 -5 5 347.468 14.4391 3 -2 5 5 355.463 10.4818 3 2 -5 5 385.163 14.4811 1 -2 -5 -5 358.157 13.2257 3 2 -5 4 10.9715 5.39729 1 -2 5 4 11.4512 3.88793 3 2 -5 4 10.4925 6.22434 3 -2 5 4 11.3724 3.89686 3 -2 -5 -4 13.6933 4.76740 3 2 -5 3 100.215 8.25511 3 -2 5 3 102.524 6.39045 3 -2 5 3 109.476 6.24897 3 -2 -5 -3 101.322 7.58237 3 2 -5 3 124.485 8.51839 1 -2 5 3 119.810 8.89717 1 -2 5 2 220.526 9.23351 3 -2 5 2 216.426 10.7669 1 2 -5 2 229.225 11.1764 1 -2 -5 -2 209.532 10.2307 3 2 5 -2 207.469 10.4235 3 -2 5 1 29.9101 5.28130 3 -2 -5 -1 26.8887 5.68479 3 2 5 -1 44.2754 6.44712 3 -2 5 1 33.8383 6.56994 1 -2 5 0 89.3200 6.87264 3 2 5 0 82.1699 7.32994 3 -2 -5 0 91.5453 7.61449 3 2 5 0 92.1664 3.57218 2 -2 5 0 99.2666 7.62808 1 -2 5 -1 15.9094 5.44725 1 -2 5 -1 25.0624 5.47072 3 -2 -5 1 21.6287 5.36685 3 2 5 1 30.1876 3.33338 2 2 5 1 29.0704 5.49376 3 -2 5 -2 176.462 9.81465 3 -2 -5 2 188.655 10.2731 3 2 5 2 182.651 7.03140 2 2 5 2 195.520 9.72763 3 -2 5 -3 110.127 8.28688 3 -2 -5 3 102.278 8.12953 3 2 5 3 107.445 7.62447 3 2 5 3 105.926 5.97728 2 -2 5 -4 28.3754 6.14658 3 2 5 4 22.7306 5.41297 3 2 5 4 15.4459 4.51782 2 -2 5 -5 347.114 14.4557 3 2 5 5 344.539 12.1545 2 2 5 5 373.730 13.0989 3 -2 5 -6 17.0855 6.29970 3 -2 -5 6 11.9093 1.51944 1 2 5 6 18.3981 5.09538 2 2 5 6 12.7924 5.13433 3 -2 5 -7 164.118 10.0957 2 -2 5 -7 180.831 11.0172 3 2 5 7 166.180 8.98707 3 2 5 7 176.370 9.48773 2 -2 -5 8 16.8831 6.36109 3 2 5 8 20.9213 6.03031 2 2 5 8 25.4152 5.52363 3 -2 5 -8 21.7123 6.53327 2 -2 -5 9 184.524 7.35719 2 -2 5 -9 187.175 11.1197 2 2 5 9 192.382 10.9890 2 2 5 9 169.886 9.17322 3 -2 5 -10 117.731 9.93731 2 -2 -5 10 114.708 6.71845 2 2 5 10 108.660 8.10823 3 2 5 10 136.083 10.0551 2 2 5 11 332.836 12.7699 3 -2 -5 11 334.340 11.8243 2 -2 5 -11 338.879 15.2063 2 2 5 11 357.477 15.8186 2 2 5 12 161.830 9.16971 3 -2 -5 12 155.889 8.51708 2 -2 5 -12 175.307 11.8215 2 2 5 12 158.890 11.7933 2 -2 5 -12 174.311 12.5212 3 2 5 13 255.018 11.3912 3 -2 -5 13 234.898 11.0597 2 2 5 13 252.551 14.5787 2 -2 5 -13 254.620 15.1564 3 -2 -5 14 74.9136 7.77031 2 2 5 14 100.600 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2484.06 55.9402 3 -2 -8 -2 2554.42 58.2582 3 -2 8 2 2613.73 54.9199 3 -2 8 1 1910.18 42.1164 3 -2 -8 -1 1879.44 43.8499 3 -2 8 1 1937.99 40.7643 3 -2 8 1 1888.39 42.1207 1 -2 8 0 2992.16 64.7860 3 -2 8 0 3002.64 63.1974 3 -2 -8 0 2995.89 66.4625 3 -2 8 0 3038.73 64.3826 1 2 8 0 2988.96 56.2883 2 -2 8 -1 1823.40 44.7420 3 -2 -8 1 1859.53 46.3233 3 2 8 1 1909.70 37.4524 1 2 8 1 1855.88 37.5531 2 -2 8 -2 2416.87 56.1786 3 -2 -8 2 2465.75 57.4958 3 2 8 2 2484.61 48.9337 1 2 8 2 2477.04 49.1347 2 -2 8 -3 1381.07 37.5575 3 -2 -8 3 1442.32 38.7212 3 2 8 3 1432.28 31.5380 2 -2 8 -4 3318.93 72.3490 3 -2 -8 4 3279.15 73.1039 3 2 8 4 3283.47 65.5339 2 -2 8 -5 2000.53 48.9062 3 -2 -8 5 1950.21 49.1633 3 2 8 5 1946.64 42.8051 2 2 8 6 2973.26 61.8774 2 -2 8 -6 2988.82 67.9247 3 -2 8 -7 842.169 25.2851 2 2 8 7 836.015 24.0561 2 -2 8 -7 834.442 28.4576 3 2 8 8 1575.88 38.6251 2 -2 8 -8 1612.20 43.3465 3 2 8 9 1546.79 38.6791 2 -2 8 -9 1543.28 42.7556 3 2 8 10 1460.98 38.0400 2 -2 8 -10 1465.72 41.8205 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392.695 17.5847 2 4 4 18 412.517 21.5644 2 -4 4 -18 408.462 20.8832 3 -4 -4 19 1958.40 48.2561 2 4 4 19 1941.66 53.7680 2 -4 4 -19 2008.87 52.9865 3 4 4 20 195.525 17.4074 2 -4 -4 20 168.988 13.3458 2 -4 4 -20 195.349 16.1758 3 4 4 21 1748.27 51.5766 2 -4 -4 21 1758.74 46.3092 2 -4 4 -21 1836.80 50.5823 3 4 4 22 412.221 24.1998 2 -4 -4 22 423.528 20.4460 2 -4 4 -22 413.038 22.5603 3 -4 -4 23 1269.30 38.2066 2 4 4 23 1231.53 43.1836 2 -4 4 -23 1329.87 41.4577 3 -4 4 -24 162.030 16.8572 3 -4 -4 24 179.604 15.8549 2 4 4 24 180.353 19.6083 2 -4 4 -25 850.859 33.1914 3 4 5 -25 113.166 15.8146 3 4 5 -24 30.6738 12.9112 3 4 5 -23 35.4974 12.7554 3 4 5 -22 116.503 13.9972 3 -4 -5 -22 86.6524 12.0037 3 -4 5 22 111.848 16.4652 2 4 5 -21 88.5073 13.3011 3 -4 -5 -21 85.3633 11.5122 3 -4 5 21 90.5697 15.4147 2 4 5 -20 69.5087 12.7542 3 -4 -5 -20 44.6795 10.3766 3 -4 5 20 56.5126 13.7338 2 4 5 -19 108.697 13.4895 3 -4 -5 -19 145.022 12.6599 3 -4 5 19 144.217 15.8878 2 4 5 -18 240.117 16.8414 3 -4 5 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38.4026 6.56493 3 -5 -5 4 42.4386 8.30671 3 -5 5 -4 26.0984 7.55855 3 -5 -5 4 30.9200 3.21884 2 5 -5 -5 201.686 9.77791 3 -5 -5 5 149.110 11.7854 3 -5 5 -5 182.288 12.5103 3 -5 -5 5 182.033 5.80592 2 5 -5 -6 8.93514 5.22917 3 -5 -5 6 7.58700 7.36247 3 -5 5 -6 9.03596 7.41378 3 -5 -5 6 9.89031 2.88086 2 5 -5 -7 99.7921 6.86648 3 -5 -5 7 105.613 10.4904 3 -5 5 -7 126.545 11.2170 3 -5 -5 7 94.4195 4.92777 2 5 -5 -8 64.3652 5.71781 3 -5 -5 8 58.8405 9.42839 3 -5 5 -8 68.0704 10.0842 3 -5 -5 8 57.2199 4.58001 2 -5 -5 9 7.51380 3.74369 1 5 -5 -9 10.4876 4.24617 3 -5 -5 9 13.5236 8.05234 3 -5 5 -9 7.70120 8.17991 3 -5 -5 9 6.93123 3.71216 2 -5 -5 10 58.3502 5.20306 1 5 5 10 71.8287 9.70194 2 5 -5 -10 65.6619 4.60589 3 -5 5 -10 84.4521 11.4451 3 -5 -5 10 67.2285 5.45755 2 -5 -5 10 78.2442 10.2221 3 5 5 11 40.9013 9.39309 2 -5 -5 11 34.1051 5.06486 1 -5 5 -11 61.7927 11.1402 3 -5 -5 11 37.9624 5.39250 2 -5 -5 11 45.1127 9.28203 3 -5 -5 12 93.3987 6.91771 1 5 5 12 81.9403 10.4741 2 -5 -5 12 87.3079 6.75717 2 -5 -5 12 96.4750 11.0106 3 5 5 13 2.54525 8.44043 2 -5 -5 13 5.28949 5.16726 2 -5 -5 13 1.69727 8.20306 3 5 5 14 222.719 15.4252 2 -5 -5 14 217.607 10.5470 2 -5 -5 14 194.244 14.6449 3 5 5 15 80.8299 12.1210 2 -5 5 -15 86.2909 13.0511 3 -5 -5 15 67.1330 7.68492 2 -5 -5 15 76.1043 11.2658 3 5 5 16 100.427 13.0551 2 -5 -5 16 110.246 9.56758 2 -5 5 -16 110.656 13.8481 3 5 5 17 64.5854 12.6862 2 -5 -5 17 57.5393 8.24158 2 -5 5 -17 61.5104 12.7668 3 -5 5 -18 59.7076 12.7238 3 5 5 18 70.0793 13.0057 2 -5 5 -19 63.6447 13.8038 3 5 5 19 58.3717 13.6046 2 -5 5 -20 85.6360 14.6068 3 5 5 20 109.931 15.4387 2 -5 5 -21 118.343 15.8523 3 5 5 21 112.244 16.2206 2 5 5 22 242.930 20.3951 2 5 6 -24 219.013 19.1112 3 5 6 -23 10.2517 13.1316 3 5 6 -22 272.892 19.9181 3 -5 -6 -21 17.4200 10.8001 3 5 6 -21 52.4149 13.8774 3 -5 6 20 228.766 20.8944 2 -5 -6 -20 277.124 17.5268 3 5 6 -20 257.237 19.3825 3 -5 -6 -19 149.305 14.4280 3 5 6 -19 160.434 16.1793 3 -5 -6 -18 348.568 19.2867 3 -5 -6 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6 4 215.898 10.7628 3 -5 -6 -4 206.079 13.5409 3 -5 6 3 137.962 9.36152 3 -5 -6 -3 149.806 12.0507 3 -5 -6 -3 124.848 7.18568 2 5 -6 3 122.752 12.2538 1 -5 6 2 144.775 10.2613 3 -5 -6 -2 179.065 12.7068 3 -5 -6 -2 157.009 7.14451 2 -5 -6 -1 68.9507 10.0067 3 -5 6 1 95.2008 8.92139 3 -5 -6 -1 75.0916 4.87974 2 -5 6 0 134.995 10.3615 3 5 -6 0 134.200 10.3613 3 -5 -6 0 123.798 11.3187 3 5 -6 -1 68.4463 8.67084 3 -5 -6 1 68.2009 9.62048 3 5 6 1 70.0080 5.96420 1 -5 6 -1 89.9678 9.12899 3 5 -6 -2 193.408 11.2590 3 5 6 2 204.103 8.97468 1 -5 6 -2 216.638 12.8512 3 -5 6 -3 117.718 10.5696 3 5 -6 -3 112.138 9.11662 3 -5 6 -4 171.851 12.4927 3 5 -6 -4 170.517 10.0015 3 -5 6 -5 383.481 17.7668 3 5 -6 -5 363.668 13.7245 3 -5 -6 5 363.446 17.8397 3 5 -6 -6 322.831 12.2632 3 -5 6 -6 320.313 16.5648 3 -5 -6 6 318.754 17.1020 3 -5 6 -7 148.441 12.7078 3 5 -6 -7 128.143 7.90084 3 -5 -6 7 103.580 11.2765 3 -5 6 -8 115.841 12.2124 3 -5 -6 8 129.994 12.3626 3 -5 6 -9 90.2678 11.3920 3 5 6 9 109.441 10.4557 2 -5 -6 9 102.823 11.8335 3 -5 6 -10 211.095 15.6232 3 5 6 10 225.026 13.7273 2 -5 -6 10 226.159 15.1598 3 -5 6 -11 25.5140 10.0384 3 -5 -6 11 18.4444 3.36598 2 5 6 11 34.0381 8.84295 2 -5 -6 11 22.6283 9.16796 3 -5 6 -12 27.4227 10.2855 3 5 6 12 18.8661 8.73247 2 -5 -6 12 17.5383 9.25404 3 -5 6 -13 18.9165 10.7491 3 5 6 13 20.9331 9.40409 2 -5 -6 13 20.7227 9.94926 3 5 6 14 48.1378 10.7547 2 -5 -6 14 48.1801 10.9657 3 5 6 15 3.78337 9.50778 2 5 6 16 332.364 19.6483 2 5 6 17 59.0643 12.6375 2 -5 6 -17 60.4541 13.0505 3 5 6 18 363.769 21.7722 2 -5 6 -18 359.555 22.0201 3 -5 6 -19 141.956 16.6472 3 5 6 19 103.534 15.2054 2 -5 6 -20 273.776 20.3387 3 5 6 20 271.448 20.0894 2 5 6 21 27.9712 14.0007 2 5 6 22 295.376 21.9935 2 5 7 -21 105.597 16.8320 3 5 7 -20 332.697 22.2386 3 -5 -7 -20 355.401 19.4289 3 5 -7 19 14.6099 14.0659 1 5 7 -19 15.9225 13.0514 3 -5 -7 -19 15.5601 10.6908 3 5 -7 18 140.854 17.1476 1 -5 -7 -18 185.653 15.1752 3 5 -7 17 2.51967 12.7071 1 -5 -7 -17-2.73947 10.3325 3 5 -7 16 53.9444 13.8228 1 -5 -7 -16 43.6628 10.8144 3 5 -7 15 7.15208 11.9007 1 -5 -7 -15 9.95273 9.95852 3 5 -7 14 36.9294 12.7852 1 -5 -7 -14 28.8069 10.3382 3 5 -7 13 40.3493 12.5376 1 -5 -7 -13 52.6052 10.7302 3 5 -7 12 69.0897 12.9585 1 -5 -7 -12 67.8978 10.9718 3 5 -7 11 39.6702 11.2550 1 -5 -7 -11 13.9832 9.09076 3 5 -7 10 55.5949 11.7128 1 -5 -7 -10 51.3881 10.5172 3 5 -7 9 7.21533 10.0736 1 -5 7 9 10.5948 6.73994 3 -5 -7 -9-7.78806 8.63888 3 5 -7 8 39.7561 10.3682 1 -5 7 8 33.4311 7.43133 3 -5 -7 -8 28.3508 8.71447 3 -5 7 7 40.4558 7.88640 3 5 -7 7 26.1563 9.92048 1 -5 -7 -7 31.5953 9.28159 3 -5 7 6 141.308 9.81218 3 5 -7 6 130.995 13.6499 1 -5 -7 -6 156.939 12.7263 3 -5 7 5 184.799 10.7534 3 5 -7 5 180.556 14.9536 1 -5 -7 -5 160.096 13.2405 3 -5 7 4 60.6133 8.33710 3 5 -7 4 63.9998 11.4851 1 -5 -7 -4 54.7347 9.99061 3 -5 -7 -3 246.585 15.1129 3 -5 7 3 213.880 11.7099 3 -5 -7 -2 234.977 15.0411 3 -5 7 2 233.243 12.6300 3 -5 -7 -1 433.927 19.6098 3 -5 7 1 387.539 16.3971 3 -5 7 0 235.198 13.2826 3 -5 -7 0 239.519 15.1544 3 -5 7 -1 433.090 18.1269 3 -5 -7 1 444.130 20.0353 3 -5 7 -2 206.821 13.5280 3 5 -7 -2 207.131 12.3350 3 -5 -7 2 235.796 15.2679 3 5 7 2 209.638 8.22589 1 -5 7 -3 248.713 14.4201 3 5 -7 -3 217.012 11.8374 3 -5 -7 3 181.696 14.5101 3 -5 7 -4 61.9374 10.2282 3 -5 7 -5 206.159 13.9620 3 -5 7 -6 169.923 13.4716 3 -5 7 -7 31.4003 9.48604 3 -5 -7 7 31.0055 10.2359 3 -5 7 -8 47.5541 10.8701 3 -5 -7 8 55.2183 10.5166 3 -5 7 -9 20.3129 10.2142 3 5 7 9 16.8344 9.03322 2 -5 -7 9 11.6079 9.28483 3 -5 7 -10 71.1925 12.3072 3 5 7 10 74.7857 10.9107 2 -5 -7 10 86.2940 11.9561 3 -5 7 -11 23.8853 10.6205 3 5 7 11 14.4336 9.16925 2 -5 -7 11 14.9778 9.21764 3 -5 7 -12 90.2156 12.9323 3 5 7 12 104.264 12.0849 2 -5 -7 12 88.6122 12.9032 3 -5 7 -13 7.77253 11.0091 3 5 7 13 28.1111 10.3192 2 -5 -7 13-2.08320 10.2546 3 5 7 14 78.5757 12.2948 2 -5 7 -14 44.6922 12.5505 3 5 7 15 19.7136 10.7700 2 -5 7 -15 18.9182 12.0919 3 5 7 16 48.6369 11.7963 2 5 7 17 11.5194 11.7547 2 5 7 18 196.051 17.1793 2 -5 7 -18 200.221 18.9112 3 5 7 19 40.4345 13.1267 2 5 7 20 370.146 22.7062 2 5 7 21 120.031 16.7867 2 5 -8 19 1281.43 43.8144 1 5 -8 18 531.477 27.6030 1 -5 -8 -18 552.575 23.7492 3 5 8 -18 620.820 29.0178 3 -5 -8 -17 1192.64 36.2412 3 5 -8 17 1132.74 40.1052 1 -5 -8 -16 893.755 30.5344 3 5 -8 16 866.612 34.1505 1 -5 -8 -15 1108.02 34.7451 3 5 -8 15 1074.19 38.0385 1 -5 -8 -14 516.074 22.8444 3 5 -8 14 519.362 25.8688 1 -5 -8 -13 904.654 30.7836 3 5 -8 13 889.324 33.5375 1 -5 -8 -12 499.890 22.1388 3 5 -8 12 461.276 23.8802 1 -5 -8 -11 874.776 30.3013 3 5 -8 11 911.413 32.7528 1 -5 -8 -10 651.239 25.2489 3 5 -8 10 636.722 27.0558 1 -5 -8 -9 851.548 29.3100 3 5 -8 9 808.682 30.5459 1 5 -8 8 860.123 31.8118 1 -5 -8 -8 900.186 30.3116 3 -5 8 8 860.127 22.2880 3 5 -8 7 1623.75 46.7161 1 -5 -8 -7 1643.49 44.9124 3 -5 8 7 1681.20 37.2581 3 5 -8 6 1241.15 39.0388 1 -5 -8 -6 1304.50 38.0943 3 -5 8 6 1307.40 31.5797 3 -5 -8 -5 1954.97 50.8978 3 -5 8 5 1983.65 44.5045 3 -5 -8 -4 1345.93 39.4725 3 -5 8 4 1406.77 34.5708 3 -5 8 3 1972.08 45.8882 3 -5 -8 -3 2010.71 51.3318 3 -5 8 2 1364.87 35.0895 3 -5 -8 -2 1305.29 38.7803 3 -5 8 1 2397.48 54.7340 3 -5 -8 -1 2417.14 59.1291 3 -5 8 0 986.303 29.3628 3 -5 -8 0 964.799 32.0328 3 -5 8 -1 2193.44 52.9272 3 -5 -8 1 2287.93 56.5304 3 -5 8 -2 1314.70 37.3031 3 -5 -8 2 1445.60 40.7298 3 5 8 3 1930.02 37.7882 1 -5 8 -3 1963.80 49.0198 3 -5 -8 3 1979.37 51.1927 3 -5 8 -4 1392.54 38.9000 3 -5 -8 4 1402.53 40.9997 3 -5 8 -5 1956.41 50.0466 3 -5 8 -6 1345.26 38.9685 3 -5 8 -7 1656.69 45.5638 3 -5 8 -8 843.556 29.9715 3 -5 -8 8 830.480 30.2878 3 5 8 9 941.286 27.8219 2 -5 8 -9 934.105 32.7111 3 -5 -8 9 964.754 33.1425 3 5 8 10 735.717 24.6431 2 -5 8 -10 701.923 28.2654 3 -5 -8 10 729.830 28.7706 3 5 8 11 801.412 26.5916 2 -5 8 -11 825.287 31.1748 3 -5 -8 11 850.544 31.1781 3 5 8 12 547.142 22.2407 2 -5 8 -12 552.713 25.7659 3 -5 -8 12 587.248 25.8712 3 5 8 13 1034.21 32.4284 2 -5 8 -13 1041.89 36.5851 3 -5 -8 13 1055.87 36.2061 3 5 8 14 429.070 21.0467 2 -5 8 -14 449.969 23.8828 3 5 8 15 1133.83 35.5671 2 -5 8 -15 1140.31 39.7921 3 5 8 16 759.430 28.9621 2 -5 8 -16 787.312 33.0779 3 5 8 17 1375.08 41.5777 2 5 8 18 482.681 24.2428 2 5 8 19 1436.27 44.1821 2 5 8 20 471.568 25.3239 2 5 8 21 731.459 31.3787 2 5 -9 17 186.694 19.1221 1 5 -9 16 18.9916 13.8954 1 -5 -9 -16 7.56591 11.4845 3 5 -9 15 161.115 17.5502 1 -5 -9 -15 145.534 14.5582 3 5 -9 14 12.1503 12.6252 1 -5 -9 -14 1.91157 10.3065 3 5 -9 13 77.8536 14.8529 1 -5 -9 -13 51.7978 11.8055 3 5 -9 12 9.41761 12.4652 1 -5 -9 -12 4.81861 10.4231 3 5 -9 11 43.9533 13.0769 1 -5 -9 -11 46.3646 11.4487 3 5 -9 10 44.3990 12.9608 1 -5 -9 -10 18.3701 10.4064 3 5 -9 9-1.12123 10.7166 1 -5 -9 -9-1.93619 10.1553 3 5 -9 8 53.9966 12.6696 1 -5 -9 -8 50.4371 11.1602 3 -5 -9 -7 25.2961 10.3747 3 -5 9 6 157.800 11.9569 3 -5 -9 -6 133.865 13.7773 3 -5 9 5 103.428 11.1362 3 -5 -9 -5 95.1996 12.9524 3 -5 9 4 154.756 12.6483 3 -5 -9 -4 190.105 15.3238 3 -5 9 3 228.935 13.9290 3 -5 -9 -3 202.348 15.6325 3 -5 9 2 352.452 16.7380 3 -5 -9 -2 350.116 19.7342 3 -5 9 1 88.7943 11.2992 3 -5 -9 -1 57.9454 11.5452 3 -5 9 0 338.395 16.9408 3 -5 -9 0 268.207 18.1122 3 -5 9 -1 68.9482 11.0907 3 -5 -9 1 59.1331 12.1973 3 -5 9 -2 401.900 19.0788 3 -5 -9 2 361.551 20.2430 3 -5 -9 3 186.470 15.5781 3 -5 9 -3 191.892 14.4361 3 -5 -9 4 162.759 15.6310 3 -5 9 -4 155.718 14.2277 3 -5 -9 5 74.9149 12.7858 3 -5 9 -5 82.9731 12.4063 3 -5 -9 6 125.237 14.4251 3 -5 9 -6 151.878 14.6720 3 -5 9 -7 40.6812 11.5302 3 -5 9 -8 27.3867 10.9903 3 -5 -9 9-5.76018 11.5803 3 -5 9 -9 1.09015 10.6923 3 -5 -9 10 19.9591 12.1233 3 -5 9 -10 9.01755 11.9010 3 -5 -9 11 71.6740 13.9587 3 -5 9 -11 58.1771 12.4475 3 -5 9 -12-7.19767 12.2638 3 5 9 13 59.2074 12.4722 2 -5 9 -13 62.9719 14.5662 3 5 9 14-3.39644 11.2138 2 -5 9 -14 16.5148 13.1576 3 5 9 15 150.393 15.4535 2 5 -10 16 31.0469 14.6477 1 5 -10 15 50.7823 15.2949 1 5 -10 14 49.8582 14.7165 1 -5 -10 -14 30.4605 12.0326 3 5 -10 13 40.3979 14.5200 1 -5 -10 -13 23.7947 12.0212 3 5 -10 12 15.6673 13.0363 1 -5 -10 -12 13.9908 11.4322 3 5 -10 11 52.0096 14.1457 1 -5 -10 -11 55.4268 12.4994 3 5 -10 10 31.4123 12.4921 1 -5 -10 -10 53.8600 13.0086 3 -5 -10 -9 24.5999 11.3527 3 -5 -10 -8 206.404 16.7362 3 -5 -10 -7 79.0365 13.0805 3 -5 -10 -6 135.410 14.9345 3 -5 -10 -5 155.545 15.5417 3 -5 -10 -4 131.444 14.8744 3 -5 10 4 150.360 13.4140 3 -5 -10 -3 119.572 14.5646 3 -5 10 3 149.729 13.6108 3 -5 -10 -2 32.5647 11.5028 3 -5 10 2 21.0349 10.0714 3 -5 -10 -1 123.806 14.3059 3 -5 10 1 96.7334 11.9120 3 -5 -10 0 14.3866 10.5831 3 -5 10 0 25.0300 10.2370 3 -5 -10 1 83.7925 13.4438 3 -5 10 -1 104.156 12.7506 3 -5 -10 2 20.3427 11.5949 3 -5 10 -2 13.3027 10.2269 3 -5 -10 3 178.542 16.7594 3 -5 10 -3 162.064 14.7997 3 -5 -10 4 144.541 15.1646 3 -5 10 -4 154.284 15.0889 3 -5 -10 5 144.273 15.5653 3 -5 10 -5 157.359 15.2886 3 -5 -10 6 129.779 15.5287 3 -5 10 -6 163.490 15.8529 3 -5 -10 7 114.766 15.7103 3 -5 10 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544.986 16.4623 2 -6 -4 1 3207.40 63.5093 2 6 4 1 3141.52 64.6040 1 -6 4 -1 3231.40 68.3644 3 -6 -4 1 3180.05 70.4841 3 6 -4 -1 3187.58 67.4208 3 -6 -4 2 416.747 13.5539 2 6 4 2 405.680 14.9523 1 -6 4 -2 438.805 17.6745 3 -6 -4 2 423.368 18.4505 3 6 -4 -2 431.592 16.5415 3 6 4 3 2601.18 55.3592 1 -6 4 -3 2662.59 59.1029 3 -6 -4 3 2566.08 59.7740 3 6 -4 -3 2593.37 56.0790 3 6 4 4 929.625 25.0994 1 6 -4 -4 817.816 23.9547 3 -6 -4 4 882.090 27.8063 3 -6 4 -4 870.307 27.2059 3 6 -4 -5 2553.60 55.0739 3 -6 -4 5 2615.93 60.4168 3 -6 4 -5 2718.47 60.4277 3 6 -4 -6 905.400 24.1318 3 -6 4 -6 903.839 28.6843 3 -6 -4 6 914.588 28.7631 3 -6 4 -7 2804.57 63.7112 3 6 -4 -7 2743.99 56.7639 3 -6 -4 7 2727.53 62.9958 3 -6 4 -8 267.282 16.0625 3 6 -4 -8 304.638 11.7614 3 -6 -4 8 246.863 14.7300 3 6 -4 -9 2650.64 54.2780 3 -6 -4 9 2651.12 61.7724 3 -6 4 -9 2772.20 63.7130 3 -6 -4 9 2704.95 54.8397 1 6 -4 -10 297.406 10.8664 3 -6 4 -10 289.901 17.1316 3 -6 -4 10 304.730 12.3176 2 -6 -4 10 310.178 16.2216 3 -6 -4 10 321.559 12.2597 1 -6 4 -11 2040.66 52.3910 3 -6 -4 11 1965.03 49.9932 3 -6 -4 11 2027.57 44.5922 2 -6 -4 11 2047.59 43.9902 1 -6 -4 12 122.308 9.05832 2 -6 -4 12 122.794 12.0678 3 -6 -4 13 1559.60 37.8324 2 -6 -4 13 1671.28 42.9601 3 -6 -4 14 430.933 16.8506 2 -6 -4 14 457.366 20.0689 3 -6 -4 15 2044.97 50.5932 3 -6 -4 15 1974.23 46.3890 2 -6 4 -15 1992.74 53.6479 3 -6 -4 16 476.663 20.9620 3 -6 -4 16 449.048 18.0987 2 -6 4 -16 529.452 24.6841 3 -6 -4 17 2082.31 53.1457 3 -6 4 -17 2164.68 57.6451 3 -6 -4 17 2221.08 50.9582 2 -6 4 -18 625.748 27.7650 3 -6 -4 18 608.108 22.1660 2 -6 4 -19 1819.10 52.1138 3 -6 4 -20 306.485 20.6274 3 6 4 21 1022.78 38.3107 2 -6 4 -21 1033.49 37.4972 3 6 4 22 289.802 22.1584 2 -6 -5 -23 126.820 15.7813 3 -6 -5 -22 14.6365 11.8942 3 6 5 -22 1.07455 12.6427 3 -6 -5 -21 77.0366 13.9348 3 6 5 -21 90.4495 14.4636 3 -6 -5 -20 96.1948 13.8987 3 -6 -5 -19 90.2416 13.6358 3 -6 -5 -18 231.515 17.4227 3 -6 -5 -17 162.732 15.3592 3 -6 -5 -16 50.5884 11.7331 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12.6355 3 -7 3 -16 41.4288 12.2968 3 -7 -3 16 45.7276 9.82703 2 -7 -3 16 76.9586 11.8740 3 -7 3 -17 84.9211 13.9930 3 -7 -3 17 75.5457 11.3090 2 -7 -3 17 99.0005 12.5217 3 -7 3 -18 160.673 16.9150 3 -7 -3 18 131.003 13.1635 2 -7 -3 18 113.232 13.0155 3 -7 3 -19 180.155 17.3780 3 -7 -4 -21 111.000 16.5252 3 -7 -4 -20 762.809 30.7746 3 -7 -4 -19 63.6290 13.2809 3 -7 -4 -18 808.807 31.3351 3 -7 -4 -17 119.747 15.0508 3 -7 -4 -16 795.629 30.7248 3 -7 -4 -15 196.369 16.7954 3 7 -4 15 169.269 18.6614 1 -7 -4 -14 1703.22 47.4017 3 7 -4 14 1582.79 49.7143 1 -7 -4 -13 266.764 17.9608 3 7 -4 13 221.776 19.4476 1 -7 -4 -12 1753.72 48.5035 3 -7 -4 -11 217.574 16.3574 3 -7 4 11 212.951 11.6072 3 -7 4 10 2557.40 53.5977 3 -7 -4 -10 2647.08 63.6065 3 -7 -4 -9 348.653 19.0810 3 -7 4 9 315.146 13.9375 3 -7 4 8 2503.91 53.0480 3 -7 -4 -8 2449.13 60.9049 3 -7 4 7 897.981 24.9810 3 -7 -4 -7 913.516 31.0184 3 -7 4 6 2433.48 52.9500 3 -7 -4 -6 2440.73 59.8516 3 -7 -4 -5 489.862 18.5455 2 -7 -4 -5 517.633 22.5340 3 -7 4 5 539.064 18.4488 3 -7 4 4 2202.68 50.1966 3 -7 -4 -4 2268.72 50.1290 2 -7 4 3 216.749 12.4331 3 -7 -4 -3 221.942 12.0957 2 -7 4 2 1952.12 46.6675 3 -7 -4 -2 1997.72 44.7980 2 7 -4 2 2039.50 53.1358 1 -7 -4 -1 313.926 13.4920 2 -7 -4 -1 324.723 17.8011 3 -7 4 1 340.221 15.4967 3 -7 -4 0 3373.81 68.4560 2 -7 4 0 3323.09 72.2422 3 -7 -4 0 3392.86 75.8231 3 -7 -4 1 313.482 12.7929 2 7 4 1 306.969 14.1119 1 -7 -4 1 303.306 17.1478 3 -7 4 -1 299.406 15.5112 3 -7 -4 2 1988.15 43.4108 2 7 4 2 2005.13 45.5690 1 -7 -4 2 1907.36 49.8717 3 -7 4 -2 2037.15 48.8602 3 -7 -4 3 218.167 10.7291 2 7 4 3 203.754 12.3610 1 -7 -4 3 226.504 15.0102 3 -7 4 -3 226.968 14.2778 3 7 4 4 2206.70 49.9717 1 -7 4 -4 2163.51 52.9524 3 -7 -4 4 2171.53 53.7959 3 7 4 5 552.169 20.3370 1 -7 4 -5 539.407 21.8845 3 -7 -4 5 556.164 22.4093 3 7 -4 -5 536.644 18.9700 3 7 4 6 2390.64 54.5238 1 7 -4 -6 2218.48 51.4145 3 -7 -4 6 2452.92 57.7163 3 -7 4 -6 2482.23 57.9492 3 7 -4 -7 918.032 25.4301 3 -7 -4 7 937.119 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11.6019 1 -8 3 -5 89.5469 11.7628 3 -8 -3 5 97.6928 11.8692 3 8 3 6 269.701 15.9537 1 -8 -3 6 277.595 16.5458 3 -8 3 -6 257.325 16.6435 3 8 3 7 204.189 15.1988 1 -8 3 -7 191.590 15.0791 3 -8 -3 7 220.632 15.3559 3 8 3 8 210.820 15.3491 1 -8 3 -8 200.492 15.9230 3 -8 -3 8 207.900 14.9082 3 8 3 9 103.798 13.1444 1 -8 3 -9 94.5373 12.8314 3 -8 -3 9 110.488 12.3820 3 -8 3 -10 187.012 16.0685 3 -8 -3 10 185.934 14.6752 3 -8 3 -11 26.3394 11.4267 3 -8 -3 11 55.7326 11.1607 3 -8 3 -12 304.313 20.0164 3 -8 -3 12 369.896 18.9687 3 -8 -3 13 185.658 15.3359 3 -8 -3 14 262.944 17.1736 3 -8 -3 15 105.950 13.1079 3 -8 3 -16 140.532 16.8520 3 -8 -3 16 172.487 14.9071 3 -8 -3 17 27.2915 11.9769 3 -8 -3 18 191.477 16.1191 3 -8 -4 -17 1038.97 37.1646 3 -8 -4 -16 247.521 19.7067 3 -8 -4 -15 1506.61 46.4219 3 -8 -4 -14 311.430 20.6173 3 -8 -4 -13 1728.66 49.9201 3 -8 -4 -12 104.652 14.2138 3 -8 -4 -11 1957.81 53.7427 3 -8 4 10 287.842 14.8189 3 -8 -4 -10 266.595 18.7092 3 -8 -4 -9 1824.25 50.7524 3 -8 4 9 1830.34 42.4724 3 -8 4 8 316.598 15.3428 3 -8 -4 -8 284.013 19.1263 3 8 -4 8 324.285 21.3552 1 -8 4 7 1697.62 40.3014 3 -8 -4 -7 1603.77 46.7256 3 8 -4 7 1570.54 48.5662 1 -8 4 6 153.873 11.9457 3 -8 -4 -6 141.685 14.9704 3 8 -4 6 132.864 16.0775 1 -8 4 5 1987.60 46.9520 3 8 -4 5 1983.27 55.1946 1 -8 4 4 188.462 12.5749 3 8 -4 4 184.020 16.9394 1 -8 4 3 1793.32 44.4298 3 8 -4 3 1833.34 51.8819 1 -8 4 2 181.445 13.1626 3 -8 -4 -2 177.334 14.8309 3 -8 4 1 973.732 30.0345 3 -8 -4 -1 971.690 33.0165 3 -8 4 0 349.697 17.8237 3 -8 -4 0 371.462 19.8459 3 -8 4 -1 1083.78 32.7179 3 -8 -4 1 1056.88 34.4607 3 8 4 2 123.250 12.1230 1 -8 4 -2 155.552 13.0820 3 -8 -4 2 166.899 14.5629 3 8 4 3 1768.59 44.1712 1 -8 4 -3 1893.61 47.7834 3 -8 -4 3 1788.86 48.5698 3 8 4 4 145.421 12.5547 1 -8 4 -4 176.082 14.6153 3 -8 -4 4 177.963 15.1795 3 8 4 5 1936.85 47.7639 1 -8 4 -5 1922.54 50.6271 3 -8 -4 5 1989.29 51.4247 3 8 4 6 126.438 12.6830 1 -8 4 -6 141.858 13.8410 3 -8 -4 6 126.757 13.4523 3 8 4 7 1631.74 43.0924 1 -8 -4 7 1638.93 45.2568 3 -8 4 -7 1613.94 45.5170 3 8 4 8 283.640 17.2211 1 -8 4 -8 291.773 18.1433 3 -8 -4 8 270.093 17.2910 3 -8 4 -9 1815.83 50.3395 3 -8 -4 9 1840.65 48.9279 3 -8 4 -10 232.408 17.8535 3 -8 -4 10 232.515 16.5234 3 -8 4 -11 1927.69 53.5672 3 -8 -4 11 1979.09 51.6989 3 -8 4 -12 69.4794 13.8362 3 -8 -4 12 56.1427 12.2349 3 -8 4 -13 1748.98 50.6177 3 -8 -4 13 1728.18 47.3869 3 -8 4 -14 265.616 19.5414 3 -8 -4 14 280.515 18.4553 3 -8 -4 15 1661.68 46.1336 3 -8 -4 16 206.994 17.0052 3 -8 -4 17 1050.02 34.6106 3 -8 -4 18 147.542 16.3637 3 -8 -5 -15 63.4689 14.2233 3 8 -5 14 244.526 22.1216 1 -8 -5 -14 290.072 20.3923 3 8 -5 13 28.2323 14.3926 1 -8 -5 -13 32.2848 12.7114 3 8 -5 12 220.321 21.2092 1 -8 -5 -12 272.157 19.2374 3 8 -5 11 33.9856 13.7900 1 -8 -5 -11 71.4688 13.5380 3 -8 -5 -10 357.321 21.0497 3 -8 -5 -9 49.2382 12.5956 3 -8 5 8 308.596 15.2166 3 -8 -5 -8 317.481 19.9210 3 -8 5 7 21.5801 9.63910 3 -8 -5 -7 5.59642 10.4134 3 -8 5 6 201.152 13.3393 3 -8 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5 -12 232.643 18.5209 3 -8 -5 12 208.442 16.9807 3 -8 5 -13 39.1932 13.1540 3 -8 -5 13 55.6359 13.6384 3 -8 5 -14 229.871 18.9986 3 -8 -5 14 208.142 17.2557 3 -8 -5 15 63.0873 13.4267 3 -8 -5 16 151.045 16.1836 3 -8 -5 17 96.6477 14.6711 3 -8 -5 18 83.3861 15.6014 3 -8 -6 -14 274.998 20.5890 3 -8 -6 -13 218.402 19.2390 3 8 -6 12 77.0725 16.1043 1 -8 -6 -12 57.1471 14.3522 3 8 -6 11 283.314 22.1096 1 -8 -6 -11 288.219 20.4202 3 8 -6 10 32.0624 14.4192 1 -8 -6 -10 68.1686 13.8864 3 8 -6 9 330.032 22.7875 1 -8 -6 -9 316.665 20.8443 3 8 -6 8 69.1422 15.9154 1 -8 -6 -8 67.1273 13.7683 3 8 -6 7 32.2141 13.7963 1 -8 -6 -7 67.7713 12.9273 3 -8 6 6 59.7637 10.8050 3 -8 -6 -6 40.5019 11.8345 3 8 -6 5 128.091 17.0824 1 -8 6 5 119.227 11.8644 3 -8 -6 -5 116.339 14.4215 3 -8 6 4 91.9757 11.8296 3 -8 -6 -4 107.367 14.2713 3 -8 6 3 325.667 16.9364 3 -8 -6 -3 273.040 18.9652 3 -8 6 2 5.21440 9.15019 3 -8 6 1 198.373 14.2709 3 -8 6 0 46.4450 10.8131 3 -8 6 -1 227.562 15.2467 3 -8 -6 1 190.721 16.2096 3 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229.701 18.9776 3 -8 7 5 116.363 12.7251 3 -8 -7 -5 153.044 16.3790 3 -8 7 4 62.4634 11.3190 3 -8 -7 -4 77.9441 13.8773 3 -8 7 3 12.1645 10.1207 3 -8 -7 -3 3.52821 11.4106 3 -8 7 2 47.5491 10.7513 3 -8 -7 -2 29.3462 11.4923 3 -8 7 1 30.2987 10.4202 3 -8 -7 -1 37.6536 12.3960 3 -8 7 0 117.310 13.1492 3 -8 7 -1 31.5494 10.9743 3 -8 7 -2 35.6691 11.1824 3 -8 -7 2 53.8293 13.1193 3 -8 7 -3 4.75774 10.2004 3 -8 -7 3 16.3451 12.0150 3 -8 7 -4 87.0163 13.2384 3 -8 -7 4 100.480 14.4448 3 -8 7 -5 157.730 15.0661 3 -8 -7 5 125.322 15.5476 3 -8 7 -6 203.454 17.0476 3 -8 -7 6 208.484 18.0080 3 -8 7 -7 148.877 15.9673 3 -8 -7 7 150.601 15.8203 3 -8 7 -8 159.741 16.5807 3 -8 -7 8 133.669 16.0327 3 -8 7 -9 45.5016 13.6773 3 -8 -7 9 38.2913 13.4129 3 -8 7 -10 102.984 15.1884 3 -8 -7 10 106.818 15.2877 3 -8 -7 11 112.054 16.3445 3 -8 -8 -6 1022.41 36.9938 3 -8 -8 -5 244.564 19.9208 3 -8 -8 -4 1051.69 37.6189 3 -8 8 3 672.097 24.3429 3 -8 -8 -3 708.875 30.5285 3 -8 8 2 900.621 29.2563 3 -8 -8 -2 897.076 34.1527 3 -8 8 1 431.543 20.4564 3 -8 -8 -1 434.682 23.9845 3 -8 8 0 561.624 23.4681 3 -8 -8 0 544.480 27.2290 3 -8 8 -1 470.701 21.9173 3 -8 8 -2 866.282 30.2712 3 -8 8 -3 680.085 27.1772 3 -8 8 -4 1055.69 35.1798 3 -8 -8 4 1020.54 37.0309 3 -8 8 -5 213.620 17.1805 3 -8 8 -6 1011.81 35.2211 3 -8 8 -7 788.998 31.0644 3 -8 8 -8 818.573 32.3282 3 -8 9 0-11.4958 11.8408 3 -8 9 -1 83.6332 13.9503 3 -8 9 -2 51.4434 13.2254 3 -8 9 -3 109.113 14.9938 3 -8 9 -4 43.1388 13.4112 3 -8 9 -5 38.0229 13.2378 3 -8 9 -6 14.5656 13.0518 3 -8 10 -2 196.427 17.9726 3 -8 10 -3 9.34276 12.6047 3 -8 10 -4 206.293 18.3745 3 -9 0 0 10.4456 9.83681 3 -9 0 -1 2609.90 63.1796 3 -9 0 1 2588.29 62.4692 3 9 0 2 39.8135 11.6965 1 -9 0 2 32.0296 10.0380 3 -9 0 -2 48.5067 10.6337 3 9 0 3 2238.81 59.0940 1 -9 0 -3 2429.74 59.7516 3 -9 0 3 2371.80 57.6023 3 9 0 4 3.19933 10.9019 1 -9 0 -4 4.09370 10.1098 3 -9 0 4 0.88340 9.35390 3 9 0 5 1515.38 44.6777 1 -9 0 -5 1467.95 43.5321 3 -9 0 5 1505.15 41.4019 3 9 0 6 326.480 20.2568 1 -9 0 6 303.889 17.3783 3 -9 0 -6 299.416 19.0479 3 9 0 7 2483.96 63.4227 1 -9 0 7 2504.21 59.1465 3 -9 0 -7 2453.04 62.5133 3 -9 0 -8 85.6525 13.7115 3 -9 0 8 81.3376 11.4029 3 9 0 9 896.982 33.9274 1 -9 0 -9 874.907 32.5507 3 -9 0 9 927.761 29.2957 3 9 0 10 57.1861 14.3666 1 -9 0 10 77.1674 11.7714 3 9 0 11 722.103 30.4784 1 -9 0 11 590.289 23.3208 3 9 0 12 65.8732 14.8161 1 -9 0 12 63.9164 11.5572 3 -9 0 -13 1534.28 46.2892 3 9 0 13 1442.82 46.8602 1 -9 0 13 1448.05 39.2863 3 9 0 14 21.7219 13.9295 1 9 0 15 858.281 35.6745 1 -9 0 19 553.904 27.6431 2 9 -1 14 79.9320 16.2681 1 9 -1 13 49.1986 15.0579 1 -9 -1 -13 36.4136 12.8335 3 9 -1 12 223.043 20.0546 1 -9 -1 -12 255.337 19.0921 3 -9 1 12 222.072 15.0578 3 9 -1 11 157.997 18.0527 1 -9 -1 -11 137.431 16.7618 3 -9 1 11 173.359 13.6218 3 9 -1 10 227.194 19.4633 1 -9 1 10 231.601 14.8939 3 9 -1 9 40.9506 13.6430 1 -9 1 9 51.3748 10.8143 3 9 -1 8 186.813 17.9924 1 -9 -1 -8 187.404 16.6616 3 -9 1 8 170.406 13.7942 3 9 -1 7 64.1852 13.5168 1 -9 -1 -7 98.3759 13.6127 3 -9 1 7 70.1729 11.0388 3 9 -1 6 177.066 16.6464 1 -9 1 6 202.047 14.1741 3 -9 -1 -6 148.013 14.7617 3 9 -1 5 96.7317 14.4180 1 -9 -1 -5 81.3024 12.7392 3 -9 1 5 82.8729 11.6151 3 9 -1 4 137.920 15.3156 1 -9 1 4 128.680 12.6937 3 -9 -1 -4 171.075 15.7492 3 9 -1 3 41.0061 12.0359 1 -9 1 3 31.9672 10.0801 3 -9 -1 -3 29.8622 10.9865 3 -9 1 2 347.737 18.3347 3 -9 -1 -2 304.386 18.9437 3 -9 -1 -1 8.96994 9.63559 3 -9 1 1 13.5710 9.95859 3 -9 1 0 334.122 18.4869 3 -9 -1 0 322.106 18.8127 3 -9 1 -1 14.1945 9.77362 3 -9 -1 1 19.3612 10.5965 3 9 1 2 284.984 18.0594 1 -9 1 -2 305.635 18.0198 3 -9 -1 2 311.513 18.4303 3 9 1 3 15.6810 10.9816 1 -9 -1 3 41.3533 10.9028 3 -9 1 -3 32.3113 11.2105 3 9 1 4 137.469 14.4439 1 -9 1 -4 102.065 12.6364 3 -9 -1 4 123.964 13.1177 3 9 1 5 97.6879 13.5868 1 -9 1 -5 92.9255 13.1689 3 -9 -1 5 74.9329 12.1188 3 9 1 6 144.598 15.1913 1 -9 1 -6 136.880 14.5134 3 -9 -1 6 154.977 13.7403 3 9 1 7 102.098 14.6643 1 -9 1 -7 98.4634 13.5920 3 -9 -1 7 72.2142 11.4557 3 9 1 8 160.428 16.2556 1 -9 1 -8 173.520 15.6670 3 -9 -1 8 159.684 13.9477 3 9 1 9 46.5469 13.6094 1 -9 1 -9 40.5298 12.1270 3 -9 -1 9 42.6012 10.7061 3 9 1 10 221.986 18.4819 1 -9 1 -10 232.790 17.9354 3 -9 -1 10 188.879 14.5044 3 9 1 11 169.222 17.4110 1 -9 1 -11 200.041 17.2729 3 -9 -1 11 169.879 14.3430 3 9 1 12 199.302 19.1539 1 -9 -1 12 215.097 15.6096 3 9 1 13 38.3572 14.3217 1 -9 -1 13 29.9111 10.5640 3 9 1 14 66.9460 15.4549 1 -9 -1 14 72.8353 12.6946 3 9 -2 13 529.798 27.9969 1 -9 -2 -13 546.913 26.3924 3 9 -2 12 316.757 22.8878 1 -9 -2 -12 360.015 21.9819 3 9 -2 11 137.189 17.7353 1 -9 -2 -11 166.125 16.4797 3 -9 2 11 165.433 13.5501 3 9 -2 10 158.184 18.2939 1 -9 -2 -10 163.697 16.1923 3 -9 2 10 203.937 14.5211 3 9 -2 9 209.112 18.4343 1 -9 2 9 207.490 14.5748 3 9 -2 8 74.7452 14.7635 1 -9 2 8 98.4145 11.8402 3 9 -2 7 111.325 15.8221 1 -9 2 7 126.478 12.4006 3 9 -2 6 45.5538 13.5044 1 -9 -2 -6 59.9242 12.2833 3 -9 2 6 53.1528 10.8784 3 9 -2 5 25.4011 12.5726 1 -9 2 5 20.5958 9.55563 3 -9 -2 -5 13.1392 10.4310 3 9 -2 4 60.7991 13.7749 1 -9 -2 -4 101.189 13.2331 3 -9 2 4 72.5034 11.0968 3 9 -2 3 49.0763 13.5005 1 -9 -2 -3 45.7246 11.9365 3 -9 2 3 58.5788 10.6433 3 -9 2 2 195.906 14.5092 3 -9 -2 -2 115.383 14.0909 3 -9 2 1 210.319 15.3453 3 -9 -2 -1 257.761 17.4243 3 -9 2 0 14.4294 9.06647 3 -9 -2 0 2.04500 10.1017 3 -9 -2 1 232.048 16.5863 3 -9 2 -1 229.442 15.7697 3 9 2 2 170.164 14.3730 1 -9 -2 2 150.320 14.5808 3 -9 2 -2 146.118 14.1650 3 9 2 3 84.7268 12.4995 1 -9 2 -3 69.6831 12.3859 3 -9 -2 3 68.9436 12.2510 3 9 2 4 46.8469 11.5036 1 -9 2 -4 29.8315 10.5849 3 -9 -2 4 44.8581 11.2923 3 9 2 5 27.0023 11.2108 1 -9 2 -5 24.6287 10.7728 3 -9 -2 5 20.0271 10.1995 3 9 2 6 41.4384 11.9923 1 -9 2 -6 28.4420 11.0647 3 -9 -2 6 28.3342 10.3797 3 9 2 7 159.819 15.4872 1 -9 2 -7 130.749 14.8937 3 -9 -2 7 131.262 13.6160 3 9 2 8 46.1951 12.2035 1 -9 2 -8 48.6833 12.5230 3 -9 -2 8 69.2047 12.2480 3 9 2 9 224.720 17.7687 1 -9 2 -9 265.830 19.0066 3 -9 -2 9 271.575 17.3159 3 9 2 10 164.820 16.6865 1 -9 2 -10 165.264 16.4113 3 -9 -2 10 171.083 14.5470 3 9 2 11 176.547 17.4702 1 -9 2 -11 148.778 16.2540 3 -9 -2 11 165.939 14.9223 3 9 2 12 277.895 20.7929 1 -9 2 -12 281.584 20.0126 3 -9 -2 12 320.156 18.1632 3 9 2 13 534.505 26.9258 1 -9 -2 13 599.079 24.2734 3 -9 -2 14 171.686 15.2608 3 -9 -2 15 359.969 19.7715 3 9 -3 12 79.4686 17.1178 1 -9 -3 -12 117.663 15.6584 3 9 -3 11 98.8525 16.1929 1 -9 -3 -11 106.305 15.2539 3 9 -3 10 24.5601 13.8351 1 -9 -3 -10 74.8406 14.7147 3 9 -3 9 173.150 18.1849 1 -9 3 9 173.947 13.8039 3 9 -3 8 53.0790 14.1980 1 -9 3 8 33.5031 10.5432 3 9 -3 7 137.312 16.9503 1 -9 3 7 132.873 12.7345 3 9 -3 6 127.440 16.5554 1 -9 3 6 117.942 12.3439 3 9 -3 5 142.357 16.5456 1 -9 -3 -5 170.552 16.0748 3 -9 3 5 156.649 13.2729 3 9 -3 4 141.125 17.4553 1 -9 3 4 151.850 13.1937 3 -9 -3 -4 110.424 14.5120 3 -9 -3 -3 237.511 17.5784 3 -9 3 3 187.448 14.4757 3 -9 3 2 138.666 13.0608 3 -9 -3 -2 148.340 15.0122 3 -9 -3 -1 210.837 16.9375 3 -9 3 1 232.417 15.8684 3 -9 3 0 64.6129 10.9752 3 -9 -3 0 57.5083 12.3240 3 -9 3 -1 278.216 17.0731 3 -9 -3 1 244.811 17.7487 3 9 3 2 140.534 13.6685 1 -9 3 -2 136.850 13.7329 3 -9 -3 2 98.3561 13.7481 3 9 3 3 233.142 15.8315 1 -9 3 -3 230.160 16.3240 3 -9 -3 3 237.911 16.8983 3 9 3 4 107.547 12.9155 1 -9 3 -4 129.538 14.3368 3 -9 -3 4 99.7919 13.3507 3 9 3 5 155.268 14.3687 1 -9 3 -5 164.242 15.3682 3 -9 -3 5 161.984 15.2603 3 9 3 6 99.6756 13.5606 1 -9 3 -6 104.254 13.5226 3 -9 -3 6 114.827 13.9263 3 9 3 7 156.960 15.3246 1 -9 3 -7 209.950 16.9057 3 -9 -3 7 204.824 16.4223 3 9 3 8 45.5870 12.3899 1 -9 3 -8 51.3486 12.4475 3 -9 -3 8 33.7147 11.5444 3 -9 3 -9 247.443 18.5934 3 9 3 9 238.047 18.3212 1 -9 -3 9 223.126 17.0707 3 9 3 10 32.0934 12.8495 1 -9 3 -10 39.6438 12.6618 3 -9 -3 10 32.1095 11.6900 3 9 3 11 129.885 15.9412 1 -9 3 -11 136.092 15.9831 3 -9 -3 11 147.057 15.2318 3 9 3 12 104.147 15.4317 1 -9 3 -12 97.5833 15.1284 3 -9 -3 12 109.115 14.1255 3 -9 -3 13 65.5611 13.0093 3 -9 -3 14 37.4024 12.1439 3 -9 -3 15 113.309 14.4846 3 -9 -3 16 38.7607 12.5775 3 -9 -4 -11 123.955 16.8066 3 9 -4 11 122.133 17.0434 1 -9 -4 -10 673.792 29.7086 3 9 -4 10 652.888 31.0804 1 -9 -4 -9 346.416 21.6315 3 9 -4 9 337.804 23.4628 1 -9 -4 -8 677.563 29.3743 3 -9 4 8 681.269 23.6677 3 9 -4 8 655.188 31.2808 1 -9 -4 -7 207.322 18.2381 3 -9 4 7 229.173 14.9855 3 9 -4 7 204.191 19.6593 1 -9 4 6 1238.94 34.7848 3 9 -4 6 1244.30 42.5830 1 -9 4 5 165.625 13.8286 3 9 -4 5 141.732 17.0448 1 -9 4 4 1869.72 46.4252 3 9 -4 4 1770.76 53.6092 1 -9 -4 -3 201.365 17.1002 3 -9 4 3 162.256 13.5331 3 -9 -4 -2 2207.66 58.6335 3 -9 4 2 2220.36 54.0410 3 -9 4 1 297.331 17.0612 3 -9 -4 -1 295.204 19.3043 3 -9 4 0 2891.82 67.2680 3 -9 -4 0 2889.22 70.9680 3 -9 4 -1 343.343 18.8702 3 -9 -4 1 271.637 18.9057 3 -9 4 -2 2209.28 55.1415 3 -9 -4 2 2089.60 56.3511 3 9 4 3 186.059 14.9438 1 -9 4 -3 196.018 15.7438 3 -9 -4 3 214.377 16.6980 3 9 4 4 1856.66 47.5611 1 -9 4 -4 1909.70 50.9935 3 -9 -4 4 1875.28 51.4088 3 9 4 5 161.961 15.0846 1 -9 4 -5 190.164 16.2498 3 -9 -4 5 166.210 15.6997 3 9 4 6 1149.89 35.0629 1 -9 4 -6 1176.08 37.7292 3 -9 -4 6 1131.67 37.2901 3 -9 4 -7 260.222 18.4248 3 9 4 7 272.082 17.7029 1 -9 -4 7 245.258 18.0334 3 9 4 8 674.283 26.6429 1 -9 4 -8 692.348 28.5272 3 -9 -4 8 690.995 27.7797 3 -9 4 -9 335.231 21.0799 3 9 4 9 328.560 19.7438 1 -9 -4 9 351.962 20.5471 3 -9 4 -10 690.866 29.1466 3 9 4 10 597.006 26.4273 1 -9 -4 10 631.803 26.7770 3 9 4 11 86.5459 14.3412 1 -9 4 -11 116.526 15.5654 3 -9 -4 11 126.410 15.1752 3 9 4 12 769.034 30.8514 1 -9 -4 12 810.778 30.4585 3 -9 -4 13 58.4293 13.5699 3 -9 -4 14 1359.74 41.5019 3 -9 -4 15 100.161 14.7599 3 -9 -4 16 600.875 26.3926 3 -9 -4 17 80.9044 14.8985 3 -9 -5 -9 219.796 19.0500 3 -9 -5 -8 120.952 15.6713 3 9 -5 7 135.869 18.3347 1 -9 -5 -7 175.414 17.6571 3 9 -5 6 51.5640 15.3486 1 -9 5 6 79.2304 11.9566 3 -9 -5 -6 86.9104 14.9192 3 -9 5 5 173.402 14.3100 3 9 -5 5 154.197 18.3454 1 -9 5 4 124.838 12.5188 3 -9 5 3 263.268 16.2933 3 -9 5 2 9.82887 10.0204 3 -9 -5 -2 34.1147 12.1099 3 -9 5 1 325.636 18.3381 3 -9 -5 -1 334.834 20.8595 3 -9 5 0 2.68003 9.91530 3 -9 -5 0 2.31603 11.1101 3 -9 5 -1 330.193 18.7192 3 -9 -5 1 333.690 20.5856 3 -9 5 -2 17.3548 10.6139 3 -9 -5 2 12.5468 10.9874 3 -9 5 -3 224.264 16.9380 3 -9 -5 3 219.419 17.9489 3 -9 5 -4 104.797 14.1315 3 -9 -5 4 126.294 14.8938 3 9 5 5 141.168 14.0352 1 -9 5 -5 133.057 15.1272 3 -9 -5 5 152.050 15.9644 3 9 5 6 74.2152 13.4624 1 -9 5 -6 62.6017 12.8608 3 -9 -5 6 90.4438 14.5690 3 9 5 7 137.627 14.8981 1 -9 5 -7 160.393 16.1861 3 -9 -5 7 184.201 16.8961 3 9 5 8 107.612 14.6830 1 -9 5 -8 81.4568 14.4292 3 -9 -5 8 118.796 15.1695 3 9 5 9 207.071 16.5578 1 -9 5 -9 227.578 18.7987 3 -9 -5 9 177.211 16.8893 3 9 5 10 50.3290 13.4318 1 -9 5 -10 72.6842 14.5578 3 -9 -5 10 23.5691 12.8286 3 9 5 11 72.6431 14.2473 1 -9 -5 11 66.3539 14.0251 3 9 5 12 65.1529 15.3609 1 -9 -5 12 65.2277 14.2352 3 -9 -5 13 100.828 15.8067 3 -9 -5 14 5.58696 12.5753 3 -9 -6 -5 147.471 16.4146 3 -9 6 4 77.8129 12.1115 3 -9 -6 -4 95.8010 14.5313 3 -9 6 3 13.3102 10.4648 3 -9 6 2 194.917 15.3340 3 -9 6 1 26.8234 10.8555 3 -9 6 0 182.608 15.7301 3 -9 -6 0 173.063 17.1382 3 -9 6 -1 42.9959 11.8633 3 -9 -6 1 33.8196 12.4880 3 -9 6 -2 203.744 16.3342 3 -9 -6 2 231.042 18.3170 3 -9 6 -3 1.99652 11.2040 3 -9 -6 3 12.0511 12.4012 3 -9 6 -4 101.279 14.0078 3 -9 -6 4 79.3538 14.4448 3 -9 6 -5 87.7840 14.0483 3 -9 -6 5 112.430 15.7031 3 -9 6 -6 103.888 15.3226 3 -9 -6 6 124.105 16.1321 3 -9 6 -7 23.9278 12.4703 3 -9 -6 7 5.96258 12.6297 3 -9 6 -8 203.105 18.1093 3 -9 -6 8 208.191 18.6559 3 -9 7 2 109.918 13.9899 3 -9 7 1 79.6800 13.0044 3 -9 7 0 173.909 15.7086 3 -9 7 -1 87.6145 13.4128 3 -9 7 -2 147.074 15.3497 3 -9 7 -3 81.5910 14.0413 3 -9 7 -4 124.761 15.4180 3 -9 7 -5 200.347 17.8489 3 -9 7 -6 51.9958 13.7222 3 -9 7 -7 86.2687 15.1946 3 -9 8 0 592.017 25.0322 3 -9 8 -1 858.846 30.7476 3 -9 8 -2 783.452 29.8145 3 -9 8 -3 1365.32 41.7052 3 -9 8 -4 400.526 22.6842 3 -9 8 -5 924.507 33.9265 3 -10 0 0 1184.87 38.0708 3 -10 0 1 13.5472 10.5842 3 -10 0 -1 9.70886 11.5992 3 -10 0 -2 2082.02 55.9585 3 -10 0 2 2132.63 55.2745 3 -10 0 -3-11.1781 11.0814 3 -10 0 3 3.01605 10.9690 3 10 0 4 662.954 28.9230 1 -10 0 4 747.885 28.0457 3 -10 0 -4 687.153 29.1536 3 10 0 5 5.99930 12.2659 1 -10 0 -5-2.32592 11.6098 3 -10 0 5 8.71172 11.1291 3 10 0 6 720.288 31.0995 1 -10 0 -6 792.893 31.2028 3 -10 0 6 823.815 29.6295 3 10 0 7-8.74326 12.6836 1 -10 0 -7 10.7847 11.4532 3 -10 0 7-0.92301 10.8320 3 10 0 8 1392.89 45.0496 1 -10 0 -8 1383.08 44.1061 3 -10 0 8 1411.05 40.4277 3 10 0 9-1.29487 13.6685 1 -10 0 9 9.72282 10.8821 3 10 0 10 871.648 35.5022 1 -10 0 10 966.192 31.2428 3 10 0 11 59.5554 15.8939 1 -10 0 11 78.3843 12.7410 3 10 -1 10-1.37720 13.9381 1 -10 1 10-5.65155 10.8511 3 10 -1 9 212.907 20.2088 1 -10 1 9 209.742 15.7116 3 10 -1 8 53.4075 15.2177 1 -10 1 8 52.2643 11.4199 3 10 -1 7 183.518 18.4330 1 -10 -1 -7 161.094 17.0208 3 -10 1 7 200.240 15.8789 3 10 -1 6 62.9776 14.3832 1 -10 -1 -6 68.3326 14.2130 3 -10 1 6 49.7913 12.4649 3 10 -1 5 342.237 22.3755 1 -10 -1 -5 364.540 21.7141 3 -10 1 5 332.481 19.0842 3 10 -1 4 48.1997 13.7399 1 -10 1 4 41.8060 11.9090 3 -10 -1 -4 45.3772 12.8655 3 -10 -1 -3 163.424 16.1964 3 -10 1 3 129.901 14.4946 3 -10 1 2 53.4703 12.3384 3 -10 -1 -2 55.2274 13.2616 3 -10 -1 -1 235.555 18.1424 3 -10 1 1 235.660 17.3953 3 -10 1 0 42.3006 11.9474 3 -10 -1 0 42.6730 12.1333 3 -10 -1 1 250.293 18.3698 3 -10 1 -1 226.872 17.7299 3 -10 -1 2 30.7905 12.2139 3 -10 1 -2 17.2755 10.8238 3 -10 -1 3 168.135 16.0872 3 -10 1 -3 141.913 15.7695 3 10 1 4 63.9591 13.8772 1 -10 1 -4 39.1447 12.4065 3 -10 -1 4 42.2626 12.3062 3 10 1 5 310.174 20.9177 1 -10 1 -5 346.476 21.0281 3 -10 -1 5 310.929 19.4078 3 10 1 6 41.6796 13.6029 1 -10 1 -6 39.3023 12.3326 3 -10 -1 6 32.6607 11.2483 3 10 1 7 156.520 17.0325 1 -10 1 -7 203.658 17.4443 3 -10 -1 7 175.514 15.3907 3 10 1 8 51.9533 14.0285 1 -10 1 -8 41.9929 13.6055 3 -10 -1 8 57.3849 12.4099 3 10 1 9 185.228 18.3780 1 -10 -1 9 200.035 16.4452 3 10 1 10-17.7413 13.9468 1 -10 -1 10-0.93330 10.9261 3 10 1 11 97.3698 16.6832 1 -10 -1 11 99.7900 13.7985 3 10 1 12 14.6197 14.1180 1 -10 -1 12 12.5541 11.6073 3 10 -2 9 75.0422 17.5210 1 10 -2 8 33.4188 15.1172 1 -10 2 8 38.3575 11.8939 3 10 -2 7 149.106 19.0128 1 -10 2 7 144.355 14.4213 3 10 -2 6 150.929 18.6373 1 -10 -2 -6 149.324 16.3717 3 -10 2 6 143.879 14.1848 3 10 -2 5 42.3055 14.6899 1 -10 -2 -5 36.2808 13.3652 3 -10 2 5 40.0820 11.5243 3 10 -2 4 211.953 19.1402 1 -10 2 4 220.539 16.0302 3 -10 -2 -4 232.814 19.1439 3 -10 2 3 335.457 18.9258 3 -10 -2 -3 327.364 20.9591 3 -10 2 2 366.662 20.0839 3 -10 -2 -2 366.530 21.7029 3 -10 2 1 188.509 15.8131 3 -10 -2 -1 157.159 16.5928 3 -10 -2 0 786.358 30.9907 3 -10 2 0 756.306 29.0722 3 -10 2 -1 170.968 15.5767 3 -10 -2 1 146.295 15.5479 3 -10 2 -2 315.193 19.9059 3 -10 -2 2 379.767 21.5555 3 -10 -2 3 314.802 20.4516 3 -10 2 -3 344.321 20.8039 3 10 2 4 197.724 17.3068 1 -10 2 -4 215.268 17.5674 3 -10 -2 4 241.973 18.0704 3 10 2 5 15.9154 11.7839 1 -10 2 -5 23.5548 11.8841 3 -10 -2 5 32.7660 11.9672 3 10 2 6 141.674 16.1584 1 -10 2 -6 162.780 16.5403 3 -10 -2 6 149.660 15.5753 3 10 2 7 118.631 16.0338 1 -10 2 -7 114.932 15.6458 3 -10 -2 7 106.799 14.1008 3 10 2 8 50.2875 13.5304 1 -10 2 -8 46.7974 13.7040 3 -10 -2 8 23.4153 11.9669 3 10 2 9 72.7591 15.0611 1 -10 -2 9 82.7938 13.7687 3 10 2 10 6.03978 12.9864 1 -10 -2 10 1.98994 11.3493 3 10 2 11 23.5807 13.8534 1 -10 -2 11 2.93724 11.6065 3 10 2 12 26.7147 14.1666 1 -10 -2 12 26.1127 12.2900 3 -10 -2 13 56.5524 13.5690 3 -10 3 7 25.6440 11.4399 3 10 -3 6 148.861 18.5411 1 -10 3 6 120.266 13.6105 3 10 -3 5 138.003 18.2180 1 -10 3 5 124.372 13.7416 3 -10 -3 -5 122.010 16.2343 3 -10 -3 -4 174.765 17.1438 3 -10 3 4 162.928 14.6064 3 -10 -3 -3 80.3305 14.2471 3 -10 3 3 81.2290 12.9639 3 -10 -3 -2 236.375 19.2716 3 -10 3 2 251.915 17.5567 3 -10 3 1 106.681 14.0270 3 -10 -3 -1 81.9377 14.1736 3 -10 3 0 194.688 16.1736 3 -10 -3 0 204.647 17.8789 3 -10 3 -1 91.3087 13.4754 3 -10 -3 1 127.071 16.0454 3 -10 3 -2 217.312 16.6779 3 -10 -3 2 182.387 17.4078 3 -10 3 -3 107.524 14.8668 3 -10 -3 3 112.015 14.8898 3 10 3 4 140.578 15.4064 1 -10 3 -4 163.961 16.1815 3 -10 -3 4 125.240 15.4072 3 10 3 5 183.227 16.7010 1 -10 3 -5 121.367 15.7462 3 -10 -3 5 167.922 16.2856 3 10 3 6 114.862 15.0539 1 -10 3 -6 96.0407 15.0681 3 -10 -3 6 76.6522 14.0057 3 10 3 7 66.0661 14.6766 1 -10 3 -7 81.8721 14.6936 3 -10 -3 7 64.3982 13.3720 3 10 3 8 72.0169 14.6285 1 -10 -3 8 58.4552 13.5263 3 10 3 9 109.784 15.7501 1 -10 -3 9 111.432 14.6139 3 10 3 10 91.6189 15.3876 1 -10 -3 10 90.9309 14.5428 3 10 3 11 43.6402 14.8591 1 -10 -3 11 24.1015 12.4334 3 10 3 12 175.934 18.8102 1 -10 -3 12 156.398 15.9988 3 10 3 13 33.9007 15.0446 1 -10 -3 13 45.5811 14.4636 3 -10 -3 14 215.623 18.0361 3 -10 4 5 987.033 31.6006 3 -10 4 4 34.4469 12.1520 3 -10 4 3 797.050 28.7588 3 -10 4 2 151.463 15.1360 3 -10 4 1 1079.44 34.8345 3 -10 -4 -1 1112.55 38.8907 3 -10 4 0 253.705 17.8387 3 -10 -4 0 267.457 19.7812 3 -10 4 -1 1089.32 35.2135 3 -10 -4 1 1012.24 37.0450 3 -10 4 -2 227.626 17.5827 3 -10 -4 2 166.937 17.3029 3 -10 4 -3 835.387 31.3501 3 -10 -4 3 856.940 32.8257 3 -10 4 -4 41.9762 13.1067 3 -10 -4 4 26.9265 12.2179 3 -10 4 -5 900.448 33.5351 3 -10 -4 5 923.963 34.0931 3 -10 4 -6 110.696 15.3471 3 -10 -4 6 128.012 16.7033 3 10 4 7 663.996 27.2701 1 -10 -4 7 712.738 29.7846 3 10 4 8 216.379 18.4385 1 -10 -4 8 221.969 18.8095 3 10 4 9 1350.61 42.0031 1 -10 -4 9 1471.46 44.0434 3 10 4 10 62.4430 14.6214 1 10 4 11 1520.49 45.4099 1 10 4 12 164.373 18.6945 1 10 4 13 1323.76 43.1194 1 -10 5 4 135.152 14.5806 3 -10 5 3 42.0183 12.2299 3 -10 5 2 265.053 17.8030 3 -10 5 1 13.1040 11.1239 3 -10 5 0 216.163 17.0565 3 -10 5 -1 21.1273 12.0182 3 -10 5 -2 303.045 19.4941 3 -10 5 -3 40.9928 13.3004 3 -10 5 -4 145.802 16.8638 3 -10 5 -5 114.781 15.9065 3 -10 6 2 76.7454 13.6955 3 -10 6 1 512.932 23.5616 3 -10 6 0 36.0491 12.9587 3 -10 6 -1 510.001 24.1813 3 -10 6 -2 66.1409 14.1850 3 -10 6 -3 440.047 23.5500 3 -10 7 -1 61.1543 14.2797 3 -10 7 -2 219.312 18.3464 3 -11 0 1 1703.21 49.3723 3 -11 0 2 7.88461 12.6073 3 -11 0 3 1532.51 45.5433 3 -11 0 4 58.4928 13.9692 3 -11 0 5 537.848 25.1663 3 -11 0 6 19.7216 12.8706 3 -11 0 7 954.169 33.3821 3 -11 0 8 14.8012 12.0672 3 -11 0 9 925.623 32.2976 3 -11 1 7 97.7430 14.3021 3 -11 1 6 157.587 16.0083 3 -11 1 5 100.968 14.9000 3 -11 1 4 192.092 17.2879 3 -11 1 3 92.9561 14.8310 3 -11 1 2 210.446 18.2949 3 -11 1 1 6.67782 12.7294 3 -11 1 0 119.120 16.3456 3 -11 -1 4 204.429 18.4060 3 -11 -1 5 98.9043 15.0744 3 11 1 5 134.885 17.1854 1 -11 -1 6 176.415 16.8256 3 11 1 6 148.201 17.7861 1 -11 -1 7 129.256 16.0317 3 11 1 7 111.113 17.0336 1 -11 -1 8 178.179 17.6834 3 -11 -1 9 88.5154 14.9371 3 -11 -1 10 157.728 16.9471 3 -11 2 6 54.2629 12.6084 3 -11 2 5 29.4561 12.7698 3 -11 2 4 15.1414 12.7105 3 -11 2 3 81.6587 14.3067 3 -11 2 2 74.1651 14.4347 3 -11 2 1 53.1355 13.2301 3 -11 2 0 47.7042 13.7769 3 11 2 6 49.1091 15.1567 1 11 2 7 301.929 21.7950 1 11 2 8 295.748 22.1991 1 -11 3 4 121.876 15.4332 3 -11 3 3 153.360 16.0295 3 -11 3 2 93.0422 14.4843 3 -11 3 1 68.9293 14.1124 3 -11 3 0 29.5003 13.2446 3 -11 4 3 108.545 15.1658 3 -11 4 2 1424.42 42.2036 3 -11 4 1 124.423 15.3486 3 0 0 0 0.00 0.00 0 TITL 200328RaselPdBrSO4_2 in P2(1)2(1)2(1) REM P2(1)2(1)2(1) (#19 in standard setting) CELL 0.71073 8.422821 10.297495 21.967915 90.0000 90.0000 90.0000 ZERR 4.00 0.000263 0.000309 0.000579 0.0000 0.0000 0.0000 LATT -1 SYMM -x+1/2,-y, z+1/2 SYMM -x, y+1/2,-z+1/2 SYMM x+1/2,-y+1/2,-z SFAC C H N O S Br Pd UNIT 32.00 120.00 16.00 44.00 4.00 4.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 95690 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -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 O1 O -0.0528(4) 0.5724(3) 0.54182(13) 0.0125(7) Uani 1 1 d . . . . . H1B H -0.147808 0.548334 0.539219 0.019 Uiso 1 1 calc R U . . . C1 C -0.0473(5) 0.7085(4) 0.55377(18) 0.0107(9) Uani 1 1 d . . . . . H1C H -0.154743 0.745897 0.548529 0.013 Uiso 1 1 calc R U . . . H1D H 0.024286 0.750877 0.524058 0.013 Uiso 1 1 calc R U . . . C2 C 0.0115(5) 0.7363(4) 0.61830(14) 0.0071(7) Uani 1 1 d . . . . . H2C H 0.023530 0.832400 0.622752 0.009 Uiso 1 1 calc R U . . . C3 C 0.1702(5) 0.6736(4) 0.63381(17) 0.0070(8) Uani 1 1 d . . . . . H3C H 0.159700 0.577427 0.629166 0.008 Uiso 1 1 calc R U . . . C4 C 0.3020(5) 0.7210(5) 0.59162(18) 0.0137(9) Uani 1 1 d . . . . . H4D H 0.278375 0.693098 0.549463 0.016 Uiso 1 1 calc R U . . . H4C H 0.304797 0.817130 0.592203 0.016 Uiso 1 1 calc R U . . . O2 O 0.4528(4) 0.6724(3) 0.60890(13) 0.0148(6) Uani 1 1 d . . . . . H2B H 0.493927 0.722446 0.634677 0.022 Uiso 1 1 calc R U . . . N1 N -0.1051(4) 0.6912(3) 0.66461(14) 0.0057(7) Uani 1 1 d . . . . . H1 H -0.135434 0.608196 0.656412 0.007 Uiso 1 1 calc R U . . . H1A H -0.192871 0.742684 0.663907 0.007 Uiso 1 1 calc R U . . . N2 N 0.2080(4) 0.7033(3) 0.69881(14) 0.0062(7) Uani 1 1 d . . . . . H2 H 0.254275 0.782979 0.701668 0.007 Uiso 1 1 calc R U . . . H2A H 0.276984 0.643242 0.713753 0.007 Uiso 1 1 calc R U . . . Pd1 Pd 0.00058(4) 0.70020(3) 0.74812(2) 0.00422(7) Uani 1 1 d . . . . . Br1 Br -0.01483(4) 0.95095(4) 0.74373(2) 0.00695(8) Uani 1 1 d . . . . . O3 O -0.3290(4) 0.8774(3) 0.89504(14) 0.0166(7) Uani 1 1 d . . . . . H3B H -0.357216 0.899661 0.859878 0.025 Uiso 1 1 calc R U . . . C5 C -0.3171(5) 0.7403(4) 0.89797(18) 0.0115(9) Uani 1 1 d . . . . . H5 H -0.416049 0.701614 0.881738 0.014 Uiso 1 1 calc R U . . . H5A H -0.307106 0.713684 0.941105 0.014 Uiso 1 1 calc R U . . . C6 C -0.1763(5) 0.6867(4) 0.86237(17) 0.0078(8) Uani 1 1 d . . . . . H6 H -0.164330 0.592647 0.872752 0.009 Uiso 1 1 calc R U . . . C7 C -0.0201(5) 0.7552(4) 0.87718(15) 0.0085(8) Uani 1 1 d . . . . . H7 H -0.037062 0.850947 0.873465 0.010 Uiso 1 1 calc R U . . . C8 C 0.0367(5) 0.7260(4) 0.94155(17) 0.0124(9) Uani 1 1 d . . . . . H8 H 0.142158 0.766099 0.948064 0.015 Uiso 1 1 calc R U . . . H8A H -0.038219 0.764348 0.971279 0.015 Uiso 1 1 calc R U . . . O4 O 0.0471(4) 0.5901(3) 0.95119(14) 0.0175(7) Uani 1 1 d . . . . . H4B H 0.142905 0.568426 0.954276 0.026 Uiso 1 1 calc R U . . . N3 N -0.2078(4) 0.6972(3) 0.79564(14) 0.0062(7) Uani 1 1 d . . . . . H3 H -0.263412 0.771125 0.787928 0.007 Uiso 1 1 calc R U . . . H3A H -0.267523 0.628428 0.783285 0.007 Uiso 1 1 calc R U . . . N4 N 0.1019(4) 0.7154(3) 0.83175(14) 0.0063(7) Uani 1 1 d . . . . . H4 H 0.144635 0.637684 0.842707 0.008 Uiso 1 1 calc R U . . . H4A H 0.181243 0.775322 0.830690 0.008 Uiso 1 1 calc R U . . . O5 O 0.4142(4) 0.4609(5) 0.72521(13) 0.0333(9) Uani 1 1 d . . . . . S1 S 0.45426(11) 0.44745(11) 0.78991(4) 0.00790(19) Uani 1 1 d . . . . . O6 O 0.3799(4) 0.5478(4) 0.82688(17) 0.0292(8) Uani 1 1 d . . . . . O7 O 0.3965(4) 0.3184(4) 0.81006(18) 0.0297(9) Uani 1 1 d . . . . . O8 O 0.6284(3) 0.4518(3) 0.79776(13) 0.0140(6) Uani 1 1 d . . . . . O9 O 0.7035(3) 0.4404(3) 0.65552(13) 0.0124(6) Uani 1 1 d D . . . . O10 O 0.6355(3) 0.5263(3) 0.53552(13) 0.0142(7) Uani 1 1 d D . . . . O11 O 0.6600(5) 0.0063(6) 0.54876(17) 0.0513(15) Uani 1 1 d D . . . . H9A H 0.665(5) 0.450(5) 0.6225(13) 0.019(13) Uiso 1 1 d D . . . . H10A H 0.572(6) 0.577(5) 0.552(3) 0.05(2) Uiso 1 1 d D . . . . H9B H 0.635(5) 0.450(6) 0.6824(17) 0.039(18) Uiso 1 1 d D . . . . H11B H 0.592(6) -0.013(7) 0.524(2) 0.07(2) Uiso 1 1 d D . . . . H10B H 0.582(7) 0.491(6) 0.509(2) 0.07(3) Uiso 1 1 d D . . . . H11A H 0.622(8) 0.026(8) 0.5817(18) 0.08(3) Uiso 1 1 d D . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0083(14) 0.0156(17) 0.0136(14) -0.0055(11) -0.0007(11) 0.0000(12) C1 0.010(2) 0.013(2) 0.0089(18) 0.0008(15) -0.0012(16) -0.0005(17) C2 0.0074(19) 0.0070(18) 0.0069(14) 0.0013(13) 0.0006(17) -0.0018(18) C3 0.0087(19) 0.006(2) 0.0061(17) -0.0018(16) -0.0003(15) -0.0002(16) C4 0.009(2) 0.025(3) 0.0076(18) -0.0017(17) -0.0010(16) -0.0016(19) O2 0.0060(14) 0.0220(17) 0.0164(14) -0.0100(13) 0.0004(11) -0.0003(13) N1 0.0044(17) 0.0068(18) 0.0058(15) -0.0004(13) -0.0030(13) -0.0008(13) N2 0.0063(18) 0.0066(19) 0.0055(15) -0.0007(12) 0.0000(13) -0.0005(13) Pd1 0.00436(11) 0.00393(12) 0.00438(11) -0.00002(9) 0.00002(12) 0.00000(9) Br1 0.00784(15) 0.00399(15) 0.00903(14) -0.00008(15) -0.00014(15) -0.00014(17) O3 0.0172(17) 0.0144(18) 0.0182(15) -0.0056(14) 0.0016(13) 0.0035(14) C5 0.010(2) 0.013(2) 0.0117(19) -0.0006(17) 0.0033(16) -0.0030(18) C6 0.010(2) 0.007(2) 0.0065(17) 0.0016(15) 0.0010(15) -0.0010(17) C7 0.009(2) 0.010(2) 0.0061(15) 0.0010(13) 0.0014(16) 0.0015(18) C8 0.012(2) 0.018(2) 0.0074(17) -0.0004(16) -0.0020(16) 0.0007(18) O4 0.0119(15) 0.0240(18) 0.0167(14) 0.0118(12) -0.0015(13) 0.0022(13) N3 0.0059(17) 0.0066(19) 0.0062(15) -0.0002(13) 0.0004(13) -0.0010(13) N4 0.0057(17) 0.0058(17) 0.0072(15) 0.0017(13) -0.0001(14) 0.0006(13) O5 0.0188(17) 0.072(3) 0.0090(15) 0.0004(19) 0.0019(13) 0.000(2) S1 0.0059(4) 0.0083(4) 0.0095(4) 0.0002(4) -0.0004(3) -0.0003(4) O6 0.0163(16) 0.027(2) 0.044(2) -0.019(2) -0.0055(15) 0.0073(17) O7 0.0117(17) 0.028(2) 0.049(2) 0.0231(18) -0.0094(16) -0.0064(15) O8 0.0057(13) 0.0093(15) 0.0271(16) 0.0033(15) -0.0012(12) 0.0013(14) O9 0.0093(14) 0.0177(17) 0.0102(14) 0.0018(14) -0.0001(12) 0.0026(14) O10 0.0093(14) 0.0173(19) 0.0161(15) -0.0062(14) -0.0012(12) -0.0004(13) O11 0.026(2) 0.113(5) 0.0153(17) -0.015(2) 0.0029(16) -0.033(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 '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 O1 C1 C2 111.4(3) . . ? N1 C2 C3 107.1(3) . . ? N1 C2 C1 111.2(3) . . ? C3 C2 C1 114.4(3) . . ? N2 C3 C2 108.3(3) . . ? N2 C3 C4 111.1(3) . . ? C2 C3 C4 111.6(3) . . ? O2 C4 C3 112.1(3) . . ? C2 N1 Pd1 108.2(2) . . ? C3 N2 Pd1 108.6(2) . . ? N4 Pd1 N1 177.94(15) . . ? N4 Pd1 N3 84.25(13) . . ? N1 Pd1 N3 94.82(13) . . ? N4 Pd1 N2 96.80(13) . . ? N1 Pd1 N2 84.13(13) . . ? N3 Pd1 N2 178.94(15) . . ? N4 Pd1 Br1 89.68(10) . 4_546 ? N1 Pd1 Br1 92.15(10) . 4_546 ? N3 Pd1 Br1 89.39(10) . 4_546 ? N2 Pd1 Br1 90.73(10) . 4_546 ? N4 Pd1 Br1 88.74(10) . . ? N1 Pd1 Br1 89.42(10) . . ? N3 Pd1 Br1 89.49(10) . . ? N2 Pd1 Br1 90.42(10) . . ? Br1 Pd1 Br1 178.143(11) 4_546 . ? Pd1 Br1 Pd1 171.731(15) 4_556 . ? O3 C5 C6 113.1(3) . . ? N3 C6 C5 109.8(3) . . ? N3 C6 C7 109.2(3) . . ? C5 C6 C7 113.2(3) . . ? N4 C7 C8 110.6(3) . . ? N4 C7 C6 108.9(3) . . ? C8 C7 C6 112.2(3) . . ? O4 C8 C7 110.6(3) . . ? C6 N3 Pd1 110.5(3) . . ? C7 N4 Pd1 109.7(2) . . ? O6 S1 O5 112.0(2) . . ? O6 S1 O8 109.9(2) . . ? O5 S1 O8 109.77(18) . . ? O6 S1 O7 109.2(2) . . ? O5 S1 O7 107.4(2) . . ? O8 S1 O7 108.5(2) . . ? 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 O1 C1 1.426(5) . ? C1 C2 1.529(5) . ? C2 N1 1.488(5) . ? C2 C3 1.523(6) . ? C3 N2 1.495(5) . ? C3 C4 1.527(6) . ? C4 O2 1.417(5) . ? N1 Pd1 2.041(3) . ? N2 Pd1 2.056(3) . ? Pd1 N4 2.032(3) . ? Pd1 N3 2.042(3) . ? Pd1 Br1 2.5757(5) 4_546 ? Pd1 Br1 2.5872(5) . ? O3 C5 1.417(6) . ? C5 C6 1.524(5) . ? C6 N3 1.494(5) . ? C6 C7 1.527(6) . ? C7 N4 1.490(5) . ? C7 C8 1.523(5) . ? C8 O4 1.419(5) . ? O5 S1 1.467(3) . ? S1 O6 1.456(3) . ? S1 O8 1.478(3) . ? S1 O7 1.483(4) . ? 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 O1 C1 C2 N1 -67.4(4) . . . . ? O1 C1 C2 C3 54.1(5) . . . . ? N1 C2 C3 N2 -53.4(4) . . . . ? C1 C2 C3 N2 -177.1(3) . . . . ? N1 C2 C3 C4 -175.9(3) . . . . ? C1 C2 C3 C4 60.3(5) . . . . ? N2 C3 C4 O2 53.8(5) . . . . ? C2 C3 C4 O2 174.8(3) . . . . ? C3 C2 N1 Pd1 43.7(3) . . . . ? C1 C2 N1 Pd1 169.3(3) . . . . ? C2 C3 N2 Pd1 36.7(4) . . . . ? C4 C3 N2 Pd1 159.5(3) . . . . ? O3 C5 C6 N3 -72.4(4) . . . . ? O3 C5 C6 C7 49.9(5) . . . . ? N3 C6 C7 N4 -45.9(4) . . . . ? C5 C6 C7 N4 -168.6(3) . . . . ? N3 C6 C7 C8 -168.6(3) . . . . ? C5 C6 C7 C8 68.7(5) . . . . ? N4 C7 C8 O4 -67.3(4) . . . . ? C6 C7 C8 O4 54.5(5) . . . . ? C5 C6 N3 Pd1 156.3(3) . . . . ? C7 C6 N3 Pd1 31.6(4) . . . . ? C8 C7 N4 Pd1 162.0(3) . . . . ? C6 C7 N4 Pd1 38.3(4) . . . . ?