#------------------------------------------------------------------------------ #$Date: 2016-02-18 08:40:55 +0000 (Thu, 18 Feb 2016) $ #$Revision: 176722 $ #$URL: svn://www.crystallography.net/cod/cif/3/50/00/3500023.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_3500023 loop_ _publ_author_name 'Marilyn Olmstead' _publ_section_title ; Cadmium Sulfate 8/3 hydrate ; _journal_name_full 'Personal communication to COD' _journal_year 2015 _chemical_formula_moiety 'Cd3 H12 O18 S3, 2(H2 O)' _chemical_formula_sum 'Cd3 H16 O20 S3' _chemical_formula_weight 769.51 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _atom_sites_solution_hydrogens difmap _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 90 _cell_angle_beta 97.488(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 14.7968(14) _cell_length_b 11.8592(11) _cell_length_c 9.4389(9) _cell_measurement_reflns_used 9994 _cell_measurement_temperature 90(2) _cell_measurement_theta_max 31.2 _cell_measurement_theta_min 2.75 _cell_volume 1642.2(3) _computing_cell_refinement 'SAINT (Bruker, 2012)' _computing_data_collection 'Apex2 (Bruker, 2012)' _computing_data_reduction 'SAINT (Bruker, 2012)' _computing_publication_material 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS (Sheldrick, 2008)' _diffrn_ambient_temperature 90(2) _diffrn_detector_area_resol_mean 8.3 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'Bruker Apex DUO' _diffrn_measurement_method \w _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0198 _diffrn_reflns_av_unetI/netI 0.0140 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 13172 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.507 _diffrn_reflns_theta_min 2.208 _diffrn_source 'fine focus sealed tube' _exptl_absorpt_coefficient_mu 4.335 _exptl_absorpt_correction_T_max 0.363 _exptl_absorpt_correction_T_min 0.263 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick, 2008)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 3.112 _exptl_crystal_description parallelepiped _exptl_crystal_F_000 1472 _exptl_crystal_size_max 0.420 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.130 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; _refine_diff_density_max 0.496 _refine_diff_density_min -0.456 _refine_diff_density_rms 0.087 _refine_ls_extinction_coef 0.00200(6) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2014/7 (Sheldrick 2014' _refine_ls_goodness_of_fit_ref 1.194 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_parameters 152 _refine_ls_number_reflns 2511 _refine_ls_number_restraints 12 _refine_ls_restrained_S_all 1.211 _refine_ls_R_factor_all 0.0130 _refine_ls_R_factor_gt 0.0126 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0083P)^2^+2.8147P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0295 _refine_ls_wR_factor_ref 0.0297 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 2470 _reflns_number_total 2511 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file mn2149.cif _cod_data_source_block mn2149 _cod_database_code 3500023 _cod_database_fobs_code 3500023 #BEGIN Tags that were not found in dictionaries: _shelx_shelxl_version_number 2014/7 _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 0.263 _shelx_estimated_absorpt_t_max 0.603 _shelx_res_file ; mn2149.res created by SHELXL-2014/7 TITL mn2149 in C2/c 3CdSO4.8H2O CELL 0.71073 14.7968 11.8592 9.4389 90.000 97.488 90.000 ZERR 4.00 0.0014 0.0011 0.0009 0.000 0.002 0.000 LATT 7 SYMM -X, Y, 0.5-Z SFAC O H S CD UNIT 80 64 12 12 TEMP -183 l.s. 8 HTAB O7 O10 EQIV $1 -x, -y+1, -z+1 HTAB O7 S1_$1 HTAB O7 O2_$1 EQIV $2 x, y, z+1 HTAB O7 O4_$2 EQIV $3 x, -y, z+1/2 HTAB O8 S2_$3 HTAB O8 O3_$3 HTAB O8 O5 EQIV $4 x+1/2, y-1/2, z HTAB O8 O2_$4 HTAB O8 S2 HTAB O8 O6 EQIV $5 -x+1/2, -y+1/2, -z+1 HTAB O9 O7_$5 HTAB O9 O10 HTAB O10 S2 HTAB O10 O5 EQIV $6 -x, y, -z+1/2 HTAB O10 O5_$6 HTAB O10 S1 HTAB O10 O1_$6 HTAB O10 O4_$6 acta bond $h conf size 0.13 0.15 0.42 ! colorless parallelepiped dfix 0.99 0.02 o7 h7a o7 h7b o8 h8a o8 h8b o9 h9a o9 h9b o10 h10a o10 h10b dfix 1.56 0.04 h7a h7b h8a h8b h9a h9b h10a h10b WGHT 0.008300 2.814700 EXTI 0.002003 FVAR 0.05620 CD1 4 0.155081 0.405815 0.035930 11.00000 0.00541 0.00683 = 0.00578 -0.00021 0.00123 -0.00021 CD2 4 0.000000 -0.055963 0.250000 10.50000 0.00550 0.00605 = 0.00583 0.00000 0.00056 0.00000 S1 3 0.000000 0.508512 0.250000 10.50000 0.00483 0.00538 = 0.00477 0.00000 0.00082 0.00000 O1 1 0.025058 0.434983 0.134221 11.00000 0.00818 0.00906 = 0.00759 -0.00225 0.00335 -0.00023 O2 1 -0.078237 0.580619 0.193953 11.00000 0.00686 0.00874 = 0.00789 0.00035 -0.00025 0.00272 S2 3 0.129518 0.117140 0.057243 11.00000 0.00504 0.00536 = 0.00487 0.00012 0.00092 -0.00015 O3 1 0.104058 0.027637 -0.050953 11.00000 0.00952 0.00790 = 0.00676 -0.00174 -0.00085 0.00062 O4 1 0.099652 0.227319 -0.004009 11.00000 0.01054 0.00586 = 0.00956 0.00177 -0.00038 0.00041 O5 1 0.084687 0.093756 0.185827 11.00000 0.00959 0.01000 = 0.00687 -0.00015 0.00448 -0.00248 O6 1 0.229591 0.116466 0.099324 11.00000 0.00506 0.01267 = 0.00755 -0.00063 0.00092 0.00051 O7 1 0.093939 0.195089 0.682235 11.00000 0.00917 0.00916 = 0.00791 0.00023 0.00137 -0.00034 H7A 2 0.088878 0.210893 0.585286 11.00000 0.03646 H7B 2 0.088284 0.261604 0.731912 11.00000 0.03414 O8 1 0.276201 0.075128 0.401055 11.00000 0.01039 0.01040 = 0.00935 0.00117 0.00177 0.00094 H8A 2 0.215703 0.064348 0.412737 11.00000 0.05025 H8B 2 0.277019 0.083042 0.304508 11.00000 0.03378 O9 1 0.221415 0.359262 0.259973 11.00000 0.00924 0.01473 = 0.00913 0.00266 0.00092 0.00044 H9A 2 0.281717 0.334511 0.278128 11.00000 0.03729 H9B 2 0.186382 0.318424 0.317686 11.00000 0.04249 O10 1 0.095026 0.251208 0.406859 11.00000 0.01013 0.00953 = 0.00939 -0.00055 0.00133 0.00061 H10A 2 0.083022 0.194106 0.339489 11.00000 0.03605 H10B 2 0.049955 0.306277 0.395541 11.00000 0.04602 HKLF 4 REM mn2149 in C2/c 3CdSO4.8H2O REM R1 = 0.0126 for 2470 Fo > 4sig(Fo) and 0.0130 for all 2511 data REM 152 parameters refined using 12 restraints END WGHT 0.0083 2.8206 REM Highest difference peak 0.496, deepest hole -0.456, 1-sigma level 0.087 Q1 1 0.1163 0.1783 0.0234 11.00000 0.05 0.50 Q2 1 0.0137 0.4707 0.1865 11.00000 0.05 0.45 Q3 1 0.1126 0.0712 -0.0035 11.00000 0.05 0.43 Q4 1 -0.0430 0.5489 0.2168 11.00000 0.05 0.34 Q5 1 0.2620 0.3493 0.2700 11.00000 0.05 0.32 Q6 1 0.0998 0.0552 0.2240 11.00000 0.05 0.30 Q7 1 0.0837 0.2208 -0.0495 11.00000 0.05 0.30 Q8 1 0.1852 0.1143 0.0818 11.00000 0.05 0.29 Q9 1 0.1482 0.3434 0.0233 11.00000 0.05 0.29 Q10 1 0.2358 0.0629 0.1030 11.00000 0.05 0.29 Q11 1 0.0759 0.0108 -0.0169 11.00000 0.05 0.28 Q12 1 -0.0775 0.5813 0.1501 11.00000 0.05 0.27 Q13 1 0.0960 0.2613 0.0221 11.00000 0.05 0.27 Q14 1 0.0695 0.2775 -0.1062 11.00000 0.05 0.27 Q15 1 0.2177 0.2445 0.1584 11.00000 0.05 0.27 Q16 1 0.0843 0.2169 0.3677 11.00000 0.05 0.26 Q17 1 0.0941 0.2377 0.7137 11.00000 0.05 0.26 Q18 1 0.2914 0.0160 0.3528 11.00000 0.05 0.26 Q19 1 0.0533 0.4179 0.1691 11.00000 0.05 0.25 Q20 1 0.2643 0.0863 0.3347 11.00000 0.05 0.25 ; _shelx_res_checksum 98781 _shelx_hkl_file ; -2 0 0 45.80 1.01 -2 0 0 43.88 0.89 2 0 0 44.05 0.93 2 0 0 44.44 1.07 4 0 0 79.43 1.95 4 0 0 79.94 1.69 -4 0 0 83.90 1.85 -4 0 0 80.36 1.62 6 0 0 76.84 1.78 6 0 0 88.62 2.10 -6 0 0 86.18 1.99 -6 0 0 87.43 1.73 -8 0 0 243.17 4.74 -8 0 0 240.03 5.36 8 0 0 235.41 5.01 8 0 0 240.88 5.68 -10 0 0 4.50 0.20 10 0 0 4.03 0.28 -10 0 0 4.49 0.27 10 0 0 4.66 0.18 12 0 0 203.76 4.94 -12 0 0 199.94 4.66 -12 0 0 199.25 4.06 14 0 0 146.79 3.80 -14 0 0 149.24 3.59 -14 0 0 147.04 3.07 -16 0 0 35.86 1.20 16 0 0 36.58 1.29 18 0 0 37.19 1.38 -18 0 0 38.98 1.31 20 0 0 54.64 1.89 -20 0 0 57.91 1.80 -1 -1 0 0.28 0.03 1 -1 0 0.14 0.03 1 -1 0 0.13 0.02 -1 1 0 0.10 0.02 -1 1 0 0.12 0.03 1 1 0 0.21 0.04 1 1 0 0.20 0.03 3 -1 0 201.74 4.07 -3 -1 0 197.27 3.95 3 -1 0 196.39 4.69 -3 1 0 194.21 4.50 3 1 0 196.68 4.49 3 1 0 201.91 4.76 3 1 0 193.56 4.13 -3 1 0 201.62 4.00 5 -1 0 46.70 1.03 -5 -1 0 46.92 0.99 -5 -1 0 47.80 1.14 5 -1 0 45.75 1.19 5 1 0 46.10 0.98 5 1 0 46.39 1.20 -5 1 0 47.48 0.97 -5 1 0 46.06 1.13 -7 -1 0 8.80 0.35 7 -1 0 8.54 0.35 7 -1 0 8.77 0.27 -7 -1 0 8.58 0.27 -7 1 0 8.56 0.34 -7 1 0 8.70 0.26 7 1 0 8.64 0.36 7 1 0 8.70 0.23 9 -1 0 246.57 5.18 -9 -1 0 249.53 5.62 9 -1 0 244.45 5.92 -9 -1 0 259.17 4.96 9 1 0 253.77 5.18 9 1 0 246.85 5.93 -9 1 0 245.55 4.94 -9 1 0 253.14 5.61 -11 -1 0 49.51 1.36 11 -1 0 47.05 1.14 11 -1 0 50.15 1.43 -11 -1 0 50.23 1.13 -11 1 0 49.68 1.12 11 1 0 47.85 1.43 -11 1 0 50.04 1.35 13 -1 0 51.36 1.53 -13 -1 0 51.53 1.19 -13 -1 0 49.76 1.44 13 1 0 50.07 1.53 -13 1 0 49.67 1.17 -13 1 0 50.63 1.44 -15 -1 0 57.12 1.33 15 -1 0 47.08 1.67 -15 -1 0 57.15 1.64 -15 1 0 58.40 1.63 15 1 0 59.31 1.76 17 -1 0 64.12 2.01 -17 -1 0 67.82 1.93 -17 1 0 67.52 1.92 17 1 0 64.47 2.03 -19 -1 0 17.15 0.81 19 -1 0 16.83 0.86 19 1 0 18.18 0.89 -19 1 0 17.73 0.81 0 -2 0 261.58 5.62 0 2 0 272.81 5.39 2 -2 0 45.53 1.00 -2 -2 0 46.24 0.94 2 -2 0 46.55 1.08 -2 -2 0 44.86 0.97 -2 2 0 45.88 0.93 2 2 0 44.91 1.07 2 2 0 45.32 1.09 -2 2 0 44.41 1.05 4 -2 0 91.76 2.12 4 -2 0 88.44 1.90 -4 -2 0 90.45 1.80 4 2 0 86.57 2.03 -4 2 0 89.01 1.78 4 2 0 85.88 1.83 -4 2 0 89.57 2.02 4 2 0 87.88 2.12 -6 -2 0 259.06 5.00 6 -2 0 256.71 5.27 6 -2 0 253.78 5.93 -6 2 0 258.31 4.98 6 2 0 254.61 5.63 6 2 0 256.82 5.94 -6 2 0 254.29 5.61 6 2 0 240.51 5.29 8 -2 0 71.56 1.58 -8 -2 0 70.81 1.51 -8 -2 0 71.02 1.75 8 -2 0 71.78 1.82 8 2 0 69.22 1.48 8 2 0 69.03 1.83 -8 2 0 70.01 1.48 -8 2 0 69.64 1.73 10 -2 0 0.44 0.11 -10 -2 0 0.05 0.08 -10 -2 0 0.04 0.05 10 -2 0 0.05 0.05 -10 2 0 0.21 0.06 -10 2 0 -0.05 0.06 10 2 0 0.01 0.07 -12 -2 0 52.14 1.45 -12 -2 0 51.58 1.20 12 -2 0 49.91 1.50 12 -2 0 51.92 1.23 12 2 0 51.19 1.52 -12 2 0 50.76 1.17 -12 2 0 50.93 1.42 -14 -2 0 65.53 1.50 -14 -2 0 66.64 1.82 14 -2 0 63.37 1.88 -14 2 0 65.31 1.78 14 2 0 62.00 1.90 -14 2 0 65.07 1.46 16 -2 0 4.78 0.40 -16 -2 0 4.95 0.39 16 2 0 5.02 0.40 -16 2 0 5.63 0.39 18 -2 0 24.12 1.01 -18 -2 0 22.00 0.94 -18 2 0 22.75 0.93 18 2 0 23.33 1.01 -20 -2 0 16.33 0.81 20 -2 0 15.34 0.83 -20 2 0 15.89 0.79 20 2 0 16.88 0.87 1 -3 0 1.35 0.05 -1 -3 0 1.39 0.09 1 -3 0 1.20 0.09 1 3 0 1.34 0.09 -1 3 0 1.53 0.09 -1 3 0 1.22 0.10 1 3 0 1.16 0.11 1 3 0 1.52 0.06 3 -3 0 0.68 0.09 -3 -3 0 0.62 0.08 -3 -3 0 0.61 0.06 3 -3 0 0.76 0.07 -3 3 0 0.79 0.07 3 3 0 0.52 0.07 -3 3 0 0.76 0.09 3 3 0 1.02 0.11 5 -3 0 31.18 0.83 5 -3 0 30.87 0.77 -5 -3 0 31.13 0.69 -5 -3 0 30.36 0.72 5 3 0 31.37 0.84 -5 3 0 29.57 0.81 -5 3 0 31.50 0.70 5 3 0 30.88 0.84 -7 -3 0 7.78 0.28 7 -3 0 7.68 0.29 7 -3 0 7.15 0.32 -7 3 0 7.89 0.32 7 3 0 7.59 0.33 -7 3 0 7.36 0.25 7 3 0 7.50 0.33 9 -3 0 3.43 0.24 -9 -3 0 3.32 0.24 -9 -3 0 3.62 0.19 9 -3 0 3.66 0.20 -9 3 0 3.44 0.23 9 3 0 3.52 0.24 -9 3 0 3.42 0.17 9 3 0 3.65 0.12 -11 -3 0 2.01 0.21 11 -3 0 1.76 0.15 11 -3 0 1.90 0.19 -11 -3 0 1.71 0.15 -11 3 0 1.68 0.20 -11 3 0 1.69 0.13 11 3 0 1.55 0.21 13 -3 0 9.60 0.49 -13 -3 0 9.94 0.38 13 -3 0 9.35 0.37 -13 -3 0 10.36 0.51 -13 3 0 9.85 0.35 -13 3 0 9.67 0.47 13 3 0 8.15 0.48 15 -3 0 0.62 0.18 -15 -3 0 0.63 0.17 -15 -3 0 0.57 0.13 15 3 0 0.72 0.18 -15 3 0 0.64 0.17 -17 -3 0 0.42 0.17 17 -3 0 1.23 0.26 -17 3 0 0.07 0.12 17 3 0 0.03 0.13 19 -3 0 19.66 0.92 -19 -3 0 19.10 0.88 19 3 0 18.82 0.92 -19 3 0 18.81 0.84 0 -4 0 204.51 4.11 0 4 0 178.14 4.39 0 4 0 208.39 3.89 2 -4 0 216.71 4.48 -2 -4 0 221.46 4.44 -2 -4 0 218.01 4.24 2 -4 0 219.88 4.99 -2 4 0 206.60 4.73 2 4 0 211.77 4.22 -2 4 0 224.24 4.22 2 4 0 187.96 4.75 2 4 0 218.66 5.06 4 -4 0 62.10 1.48 4 -4 0 60.30 1.40 -4 -4 0 60.81 1.32 -4 -4 0 61.90 1.32 -4 4 0 60.66 1.47 -4 4 0 61.29 1.29 4 4 0 61.24 1.50 4 4 0 59.92 1.50 -6 -4 0 51.07 1.11 6 -4 0 47.81 1.17 6 -4 0 47.85 1.26 -6 -4 0 47.86 1.07 6 4 0 49.30 1.29 -6 4 0 49.41 1.24 -6 4 0 48.83 1.07 6 4 0 49.01 1.28 -8 -4 0 0.19 0.07 8 -4 0 0.12 0.07 8 -4 0 0.29 0.08 8 4 0 0.13 0.08 8 4 0 0.19 0.08 -8 4 0 0.38 0.10 -8 4 0 0.29 0.07 10 -4 0 217.20 5.06 -10 -4 0 209.41 4.27 -10 -4 0 206.41 4.86 10 -4 0 209.60 4.50 10 4 0 211.50 5.09 -10 4 0 214.12 4.22 -10 4 0 202.67 4.79 -12 -4 0 1.61 0.18 12 -4 0 1.30 0.20 -12 -4 0 1.61 0.23 12 -4 0 2.47 0.19 -12 4 0 1.65 0.22 12 4 0 1.43 0.22 -12 4 0 2.12 0.16 14 -4 0 24.91 0.97 -14 -4 0 28.54 1.00 -14 -4 0 27.93 0.79 14 -4 0 27.85 0.82 14 4 0 28.17 1.02 -14 4 0 28.11 0.95 -16 -4 0 31.29 0.89 16 -4 0 32.53 1.15 -16 -4 0 30.58 1.12 -16 4 0 31.00 1.08 16 4 0 29.19 1.14 -18 -4 0 1.09 0.24 18 -4 0 1.77 0.31 18 4 0 1.39 0.29 -18 4 0 1.10 0.24 20 -4 0 4.80 0.44 -20 -4 0 4.29 0.42 20 4 0 4.96 0.46 -20 4 0 4.42 0.41 1 -5 0 59.68 1.34 -1 -5 0 58.34 1.31 1 5 0 59.66 1.25 1 5 0 56.11 1.46 -1 5 0 58.13 1.45 1 5 0 53.39 1.34 -1 5 0 59.44 1.24 3 -5 0 250.13 5.66 3 -5 0 244.48 5.11 -3 -5 0 243.97 5.04 -3 -5 0 254.30 4.84 -3 5 0 243.94 5.40 3 5 0 244.07 5.60 -3 5 0 244.44 4.80 3 5 0 218.76 5.42 -5 -5 0 4.36 0.21 -5 -5 0 4.36 0.18 5 -5 0 3.99 0.19 5 -5 0 4.68 0.24 5 5 0 4.15 0.21 5 5 0 4.12 0.25 -5 5 0 3.70 0.22 -5 5 0 4.25 0.19 7 -5 0 17.00 0.54 -7 -5 0 17.10 0.43 -7 -5 0 17.07 0.51 7 -5 0 16.83 0.55 7 5 0 16.16 0.60 -7 5 0 17.04 0.57 7 5 0 16.17 0.57 -7 5 0 17.03 0.47 9 -5 0 131.57 3.28 9 -5 0 132.31 2.98 -9 -5 0 135.36 2.82 9 5 0 136.29 3.34 -9 5 0 137.27 3.17 -9 5 0 133.34 2.76 9 5 0 133.52 3.23 -11 -5 0 2.39 0.19 11 -5 0 2.32 0.22 11 -5 0 2.77 0.21 -11 -5 0 2.25 0.24 -11 5 0 2.79 0.24 11 5 0 2.59 0.24 -11 5 0 2.54 0.17 -13 -5 0 61.95 1.47 -13 -5 0 59.50 1.74 13 -5 0 61.61 1.54 13 -5 0 65.72 1.78 -13 5 0 58.70 1.38 13 5 0 57.92 1.76 -13 5 0 60.08 1.68 15 -5 0 87.51 2.43 -15 -5 0 86.19 2.39 -15 -5 0 87.68 2.01 -15 5 0 87.59 2.32 15 5 0 87.15 2.46 17 -5 0 74.41 2.16 -17 -5 0 69.79 2.11 17 5 0 70.92 2.18 -17 5 0 73.79 2.06 19 -5 0 57.63 1.85 -19 -5 0 57.15 1.83 -19 5 0 55.82 1.75 19 5 0 55.85 1.87 0 -6 0 532.30 10.75 0 6 0 461.32 11.71 0 6 0 572.80 10.70 2 -6 0 0.42 0.09 -2 -6 0 0.61 0.09 2 6 0 0.47 0.05 2 6 0 0.47 0.09 -2 6 0 0.55 0.11 2 6 0 0.47 0.12 -2 6 0 0.45 0.08 -4 -6 0 85.58 1.83 4 -6 0 83.87 1.96 4 -6 0 80.90 1.90 -4 -6 0 85.54 1.80 4 6 0 82.06 1.99 -4 6 0 80.66 2.00 -4 6 0 81.64 1.75 4 6 0 81.05 2.05 -6 -6 0 74.99 1.64 6 -6 0 74.26 1.81 -6 -6 0 73.00 1.61 6 6 0 71.82 1.84 6 6 0 73.63 1.88 -6 6 0 72.28 1.58 -6 6 0 72.62 1.82 8 -6 0 6.71 0.30 -8 -6 0 6.26 0.22 8 -6 0 6.38 0.32 -8 -6 0 6.21 0.29 8 6 0 5.73 0.31 -8 6 0 6.34 0.26 -8 6 0 6.58 0.34 8 6 0 6.64 0.37 10 -6 0 51.38 1.34 -10 -6 0 52.14 1.26 10 -6 0 50.88 1.42 10 6 0 51.37 1.46 10 6 0 52.11 1.49 -10 6 0 49.54 1.41 -10 6 0 51.74 1.19 -12 -6 0 65.20 1.83 -12 -6 0 66.10 1.54 12 -6 0 65.30 1.63 12 -6 0 56.33 1.75 -12 6 0 66.16 1.75 12 6 0 64.75 1.82 -12 6 0 62.92 1.44 14 -6 0 33.87 1.02 -14 -6 0 34.17 1.19 -14 -6 0 33.78 0.96 14 -6 0 32.94 1.12 -14 6 0 34.42 1.12 14 6 0 33.36 1.16 -16 -6 0 54.29 1.42 -16 -6 0 58.83 1.78 16 -6 0 55.76 1.72 16 6 0 56.04 1.77 -16 6 0 55.53 1.67 18 -6 0 1.03 0.24 -18 -6 0 1.11 0.27 -18 6 0 1.39 0.26 18 6 0 1.01 0.24 1 -7 0 1.63 0.15 -1 -7 0 1.82 0.15 -1 7 0 1.65 0.14 -1 7 0 1.88 0.20 1 7 0 1.45 0.19 1 7 0 1.79 0.14 -3 -7 0 177.46 3.56 3 -7 0 173.48 3.77 -3 -7 0 179.78 3.70 3 -7 0 175.81 3.96 -3 7 0 177.88 3.53 3 7 0 153.55 4.01 -3 7 0 171.03 4.00 3 7 0 176.13 4.02 -5 -7 0 16.10 0.50 5 -7 0 14.27 0.52 5 -7 0 14.49 0.44 -5 -7 0 14.98 0.45 -5 7 0 14.81 0.45 5 7 0 14.85 0.47 5 7 0 14.48 0.59 -5 7 0 14.68 0.54 -7 -7 0 1.04 0.10 7 -7 0 1.24 0.18 -7 -7 0 0.87 0.14 7 -7 0 0.98 0.11 7 7 0 0.90 0.13 -7 7 0 0.92 0.12 7 7 0 1.50 0.21 -7 7 0 0.73 0.15 -9 -7 0 105.80 2.32 9 -7 0 101.78 2.46 9 -7 0 108.57 2.63 9 7 0 105.70 2.67 -9 7 0 106.65 2.24 -9 7 0 104.30 2.59 9 7 0 104.26 2.68 11 -7 0 90.15 2.19 -11 -7 0 90.00 2.05 11 -7 0 90.75 2.34 11 7 0 90.74 2.39 11 7 0 88.76 2.39 -11 7 0 88.01 1.95 -11 7 0 90.88 2.31 13 -7 0 0.19 0.12 -13 -7 0 0.91 0.17 13 -7 0 0.75 0.17 -13 -7 0 0.07 0.11 -13 7 0 0.23 0.12 13 7 0 0.12 0.12 -15 -7 0 27.03 1.07 15 -7 0 26.68 0.98 15 -7 0 26.81 0.91 -15 -7 0 27.21 0.85 -15 7 0 28.12 1.00 15 7 0 26.74 1.02 -17 -7 0 34.02 1.02 17 -7 0 34.08 1.21 -17 -7 0 33.43 1.28 17 7 0 33.83 1.26 -17 7 0 34.82 1.21 -19 -7 0 6.14 0.52 -19 7 0 5.80 0.46 19 7 0 5.65 0.48 0 -8 0 1.79 0.16 0 8 0 2.02 0.16 -2 -8 0 53.94 1.29 2 -8 0 54.22 1.34 -2 -8 0 50.25 1.24 -2 8 0 52.82 1.46 -2 8 0 51.34 1.22 2 8 0 53.68 1.24 2 8 0 50.38 1.46 4 -8 0 67.20 1.67 -4 -8 0 70.26 1.58 -4 -8 0 68.47 1.59 -4 8 0 69.69 1.79 4 8 0 66.34 1.66 -4 8 0 70.37 1.53 4 8 0 64.05 1.82 6 -8 0 17.00 0.63 -6 -8 0 18.90 0.55 -6 -8 0 18.26 0.59 -6 8 0 19.25 0.68 6 8 0 19.02 0.58 -6 8 0 19.32 0.56 6 8 0 18.57 0.73 -8 -8 0 0.67 0.13 8 -8 0 0.23 0.11 8 -8 0 0.13 0.07 -8 8 0 0.11 0.08 8 8 0 0.11 0.11 8 8 0 0.11 0.07 -8 8 0 0.43 0.13 10 -8 0 15.63 0.63 10 -8 0 16.93 0.61 -10 -8 0 16.27 0.58 -10 8 0 16.57 0.66 10 8 0 15.77 0.61 -10 8 0 16.11 0.52 10 8 0 15.69 0.71 12 -8 0 30.00 0.98 -12 -8 0 29.63 0.89 12 8 0 30.07 1.10 -12 8 0 28.40 0.80 -12 8 0 29.23 1.00 12 8 0 29.86 1.01 -14 -8 0 4.05 0.30 -14 -8 0 4.16 0.39 14 -8 0 4.27 0.34 14 8 0 4.22 0.35 -14 8 0 4.37 0.36 -16 -8 0 0.77 0.22 -16 -8 0 0.57 0.17 16 8 0 0.59 0.19 -16 8 0 0.66 0.20 -18 -8 0 3.26 0.44 18 8 0 3.63 0.38 -18 8 0 3.50 0.35 -1 -9 0 34.73 0.96 1 -9 0 36.01 0.99 -1 9 0 34.22 0.91 1 9 0 34.41 0.91 -1 9 0 34.65 1.11 1 9 0 35.64 1.12 -3 -9 0 11.84 0.45 -3 -9 0 11.57 0.44 3 -9 0 12.38 0.50 3 9 0 11.81 0.56 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165.47 3.42 -6 -10 0 16.41 0.60 6 -10 0 15.81 0.64 -6 -10 0 16.16 0.54 -6 10 0 15.84 0.54 6 10 0 15.79 0.73 -6 10 0 16.08 0.67 -8 -10 0 5.14 0.33 8 -10 0 5.06 0.35 8 10 0 4.52 0.38 -8 10 0 5.19 0.37 -8 10 0 4.85 0.28 10 -10 0 126.68 3.05 -10 -10 0 124.95 2.83 -10 10 0 123.67 2.71 -10 10 0 128.87 3.18 10 10 0 126.16 3.30 12 -10 0 5.72 0.41 -12 -10 0 5.39 0.35 -12 10 0 5.81 0.42 12 10 0 5.15 0.45 14 -10 0 3.13 0.36 -14 -10 0 4.14 0.33 14 10 0 3.34 0.44 -14 10 0 3.53 0.35 16 -10 0 54.47 1.64 -16 -10 0 53.68 1.49 -16 -10 0 54.81 1.84 1 -11 0 120.36 2.86 -1 -11 0 121.17 2.72 -1 -11 0 124.04 2.85 1 11 0 127.66 3.14 1 11 0 121.70 2.70 -1 11 0 124.49 3.12 -1 11 0 122.00 2.69 -3 -11 0 26.99 0.83 3 -11 0 27.52 0.89 -3 -11 0 26.68 0.83 -3 11 0 25.47 0.79 3 11 0 26.74 0.99 -3 11 0 26.99 0.97 -5 -11 0 28.28 0.82 -5 -11 0 27.12 0.85 5 -11 0 26.41 0.91 -5 11 0 26.93 0.97 -5 11 0 27.85 0.80 5 11 0 25.37 1.01 7 -11 0 158.61 3.70 -7 -11 0 163.42 3.47 7 11 0 142.10 3.93 -7 11 0 166.99 3.38 -7 11 0 161.00 3.88 -9 -11 0 3.69 0.30 9 -11 0 3.02 0.29 -9 11 0 3.82 0.26 -9 11 0 3.36 0.32 9 11 0 3.54 0.36 -11 -11 0 2.46 0.28 11 -11 0 2.19 0.30 -11 11 0 2.31 0.31 11 11 0 2.50 0.37 -13 -11 0 107.56 2.52 13 -11 0 107.89 2.75 13 11 0 105.69 2.99 -13 11 0 103.71 2.81 -15 -11 0 0.69 0.25 -15 -11 0 0.88 0.20 15 -11 0 0.82 0.23 -15 11 0 1.06 0.25 0 -12 0 16.84 0.65 0 12 0 16.72 0.61 0 12 0 16.67 0.74 -2 -12 0 5.24 0.34 -2 -12 0 5.34 0.33 2 -12 0 5.51 0.36 -2 12 0 5.38 0.41 -2 12 0 5.44 0.32 2 12 0 6.08 0.44 -4 -12 0 14.83 0.59 -4 -12 0 14.50 0.57 4 -12 0 13.93 0.62 -4 12 0 14.94 0.56 4 12 0 14.43 0.71 -4 12 0 14.85 0.70 -6 -12 0 9.77 0.48 6 -12 0 8.96 0.50 6 12 0 9.51 0.59 -6 12 0 9.49 0.43 -6 12 0 9.63 0.55 8 -12 0 13.29 0.64 -8 -12 0 12.72 0.57 8 12 0 12.76 0.71 -8 12 0 14.13 0.68 -8 12 0 13.40 0.52 -10 -12 0 25.06 0.86 10 -12 0 24.34 0.94 -10 12 0 23.99 0.76 -10 12 0 24.17 0.96 10 12 0 23.24 1.04 12 -12 0 24.51 0.98 -12 -12 0 26.12 0.90 -12 12 0 24.73 1.00 12 12 0 23.18 1.08 -14 -12 0 2.46 0.32 14 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3.53 0.44 6 16 0 4.21 0.43 -6 16 0 4.17 0.34 20 0 -1 0.03 0.15 -20 0 1 0.13 0.15 -18 0 1 -0.03 0.12 18 0 -1 0.06 0.12 -16 0 1 0.23 0.13 -16 0 1 0.37 0.11 16 0 -1 0.07 0.11 -14 0 1 0.04 0.07 14 0 -1 0.19 0.12 -14 0 1 0.08 0.09 -12 0 1 0.01 0.06 12 0 -1 0.02 0.08 -12 0 1 0.10 0.08 10 0 -1 -0.05 0.07 -10 0 1 0.14 0.08 10 0 -1 0.13 0.04 -10 0 1 0.06 0.06 -8 0 1 -0.11 0.06 -8 0 1 -0.02 0.06 8 0 -1 0.32 0.11 8 0 -1 0.07 0.04 6 0 -1 -0.12 0.06 6 0 -1 -0.02 0.03 -6 0 1 -0.12 0.04 -6 0 1 -0.03 0.06 -4 0 1 0.14 0.05 -4 0 1 0.04 0.04 4 0 -1 0.25 0.03 -2 0 1 -0.39 0.05 -2 0 1 -0.66 0.06 0 0 -1 0.04 0.02 0 0 -1 0.02 0.03 0 0 1 -0.01 0.02 0 0 1 -0.02 0.02 2 0 1 -0.42 0.04 -2 0 -1 -0.23 0.02 -2 0 -1 0.01 0.06 2 0 1 -0.37 0.04 -4 0 -1 0.01 0.05 4 0 1 -0.07 0.05 4 0 1 0.03 0.04 -4 0 -1 0.00 0.03 -6 0 -1 0.07 0.06 6 0 1 0.00 0.05 6 0 1 0.05 0.04 -6 0 -1 0.07 0.04 8 0 1 -0.04 0.05 8 0 1 -0.11 0.07 -8 0 -1 -0.14 0.06 -8 0 -1 -0.10 0.04 10 0 1 0.06 0.07 -10 0 -1 0.03 0.05 -10 0 -1 0.13 0.08 10 0 1 0.04 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2.40 0.36 17 -7 -3 2.06 0.32 -17 -7 3 2.44 0.30 -17 7 3 2.55 0.28 17 7 -3 2.61 0.36 15 -7 -3 67.94 1.97 -15 -7 3 64.11 1.68 15 7 -3 64.61 1.96 15 7 -3 65.01 1.95 -15 7 3 68.04 1.64 13 -7 -3 3.58 0.29 13 -7 -3 3.16 0.29 -13 -7 3 3.20 0.28 13 7 -3 3.62 0.31 -13 7 3 3.79 0.27 13 7 -3 3.38 0.33 11 -7 -3 2.90 0.25 -11 -7 3 3.21 0.25 11 -7 -3 3.39 0.28 11 7 -3 3.12 0.26 11 7 -3 3.33 0.30 -11 7 3 3.20 0.24 -11 7 3 2.92 0.23 -9 -7 3 153.99 3.30 9 -7 -3 154.58 3.81 9 -7 -3 153.13 3.50 -9 7 3 154.04 3.56 9 7 -3 154.42 3.76 9 7 -3 155.31 3.80 -9 7 3 156.25 3.28 7 -7 -3 7.17 0.35 -7 -7 3 6.66 0.25 -7 -7 3 6.56 0.32 7 -7 -3 6.74 0.36 -7 7 3 6.94 0.33 7 7 -3 6.61 0.32 7 7 -3 6.87 0.41 -7 7 3 6.56 0.30 -5 -7 3 10.71 0.34 5 -7 -3 9.84 0.43 5 -7 -3 9.99 0.40 -5 -7 3 9.50 0.38 5 7 -3 9.85 0.37 -5 7 3 9.42 0.38 -5 7 3 9.73 0.38 5 7 -3 10.26 0.49 -3 -7 3 226.11 4.61 3 -7 -3 228.05 4.92 -3 -7 3 231.25 4.81 3 -7 -3 229.05 5.38 3 7 -3 226.71 5.28 3 7 -3 225.82 5.29 -3 7 3 227.91 4.63 -3 7 3 227.61 5.10 1 -7 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1.40 0.26 1 11 3 1.63 0.23 1 11 3 1.27 0.20 -3 -11 -3 9.56 0.46 3 -11 3 9.73 0.48 3 -11 3 9.21 0.40 3 11 3 9.73 0.49 -3 11 -3 9.99 0.57 3 11 3 9.43 0.44 5 -11 3 10.94 0.54 -5 -11 -3 11.73 0.51 -5 -11 -3 11.73 0.51 5 -11 3 11.02 0.43 5 11 3 12.36 0.58 -5 11 -3 10.43 0.61 -7 -11 -3 0.07 0.09 7 -11 3 -0.06 0.09 -7 -11 -3 0.15 0.12 -7 11 -3 0.07 0.12 7 11 3 0.10 0.12 9 -11 3 0.09 0.11 -9 -11 -3 0.14 0.11 9 11 3 0.11 0.12 -9 11 -3 0.17 0.16 -11 -11 -3 39.01 1.14 -11 -11 -3 38.98 1.36 11 -11 3 39.38 1.29 -11 11 -3 38.82 1.38 -13 -11 -3 -0.01 0.15 -13 -11 -3 -0.07 0.10 -13 11 -3 0.22 0.16 -14 -12 3 0.55 0.19 14 -12 -3 0.63 0.21 -14 12 3 0.46 0.16 14 12 -3 0.33 0.19 12 -12 -3 85.82 2.32 -12 -12 3 85.50 2.15 -12 12 3 85.36 2.07 12 12 -3 82.04 2.51 10 -12 -3 12.57 0.65 -10 -12 3 12.68 0.59 10 12 -3 12.12 0.71 -10 12 3 12.44 0.55 -8 -12 3 2.68 0.31 8 -12 -3 2.09 0.30 8 12 -3 2.37 0.36 -8 12 3 1.96 0.24 -6 -12 3 63.46 1.61 6 -12 -3 60.43 1.74 -6 12 3 60.39 1.58 6 12 -3 64.97 1.95 4 -12 -3 28.65 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85.60 1.81 6 -4 4 86.14 2.02 -6 4 -4 87.20 2.16 6 4 4 84.28 1.97 6 4 4 86.81 2.25 8 -4 4 52.95 1.46 -8 -4 -4 50.87 1.15 -8 -4 -4 52.29 1.41 8 -4 4 50.54 1.33 8 4 4 50.86 1.49 -8 4 -4 52.54 1.45 8 4 4 51.21 1.27 -10 -4 -4 78.41 2.04 10 -4 4 78.01 2.11 10 -4 4 77.76 1.90 -10 4 -4 75.28 2.05 10 4 4 78.41 1.82 10 4 4 76.87 2.14 12 -4 4 22.19 0.84 12 -4 4 21.33 0.74 -12 -4 -4 21.97 0.83 -12 4 -4 20.79 0.82 12 4 4 21.08 0.86 -14 -4 -4 5.60 0.42 14 -4 4 5.53 0.41 14 -4 4 5.04 0.33 -14 4 -4 5.98 0.42 14 4 4 5.06 0.41 -16 -4 -4 28.94 1.12 16 -4 4 29.09 1.13 16 4 4 30.79 1.19 -16 4 -4 29.16 1.12 18 -4 4 1.06 0.26 -18 -4 -4 1.55 0.30 18 4 4 1.08 0.26 -18 4 -4 1.37 0.28 -19 -5 4 1.40 0.24 19 -5 -4 0.88 0.26 -19 -5 4 1.03 0.24 19 5 -4 1.01 0.27 -19 5 4 1.02 0.20 -17 -5 4 96.38 2.63 -17 -5 4 95.06 2.32 17 -5 -4 100.36 2.84 17 5 -4 96.46 2.80 -17 5 4 97.55 2.29 -15 -5 4 6.51 0.39 15 -5 -4 6.35 0.46 -15 -5 4 6.18 0.42 -15 5 4 6.26 0.37 15 5 -4 5.74 0.43 13 -5 -4 37.07 1.26 -13 -5 4 36.50 1.05 13 -5 -4 36.24 1.06 13 5 -4 35.52 1.16 -13 5 4 36.94 1.02 13 5 -4 36.24 1.23 11 -5 -4 199.56 5.00 11 -5 -4 204.35 4.43 -11 -5 4 201.19 4.22 -11 5 4 199.91 4.19 -11 5 4 201.13 4.54 11 5 -4 205.14 4.71 11 5 -4 196.69 4.95 9 -5 -4 32.08 1.06 -9 -5 4 32.11 0.88 9 -5 -4 32.09 0.93 -9 5 4 31.53 0.87 -9 5 4 30.73 0.84 9 5 -4 31.77 0.99 9 5 -4 30.55 1.01 7 -5 -4 89.18 2.10 -7 -5 4 87.91 1.97 -7 -5 4 88.11 1.90 7 -5 -4 89.06 2.36 7 5 -4 90.12 2.30 7 5 -4 89.58 2.23 -7 5 4 89.29 2.04 -7 5 4 90.78 1.98 5 -5 -4 81.55 2.18 5 -5 -4 83.70 1.96 -5 -5 4 82.45 1.81 -5 -5 4 82.73 1.81 5 5 -4 82.83 2.08 -5 5 4 84.26 1.83 -5 5 4 81.95 1.88 5 5 -4 82.63 2.12 3 -5 -4 127.06 3.23 -3 -5 4 130.51 2.68 -3 -5 4 126.97 2.78 3 -5 -4 129.49 2.89 3 5 -4 127.83 3.15 3 5 -4 130.12 3.08 -3 5 4 135.92 2.71 -3 5 4 126.69 2.84 -1 -5 4 64.50 1.41 1 -5 -4 66.90 1.74 -1 -5 4 65.26 1.51 1 -5 -4 66.21 1.58 -1 5 4 65.59 1.46 -1 5 4 63.84 1.48 1 5 -4 64.23 1.70 1 5 -4 66.02 1.70 1 -5 4 18.19 0.47 1 -5 4 18.41 0.56 -1 -5 -4 18.04 0.61 1 5 4 17.34 0.57 1 5 4 17.21 0.50 -1 5 -4 18.21 0.58 -1 5 -4 17.52 0.62 1 5 4 17.29 0.51 -3 -5 -4 153.48 3.66 -3 -5 -4 150.61 3.40 3 -5 4 150.71 2.99 3 -5 4 154.44 3.31 3 5 4 147.13 3.28 3 5 4 148.66 3.07 -3 5 -4 148.56 3.60 -3 5 -4 148.86 3.52 5 -5 4 10.89 0.44 -5 -5 -4 11.10 0.42 -5 -5 -4 10.30 0.45 5 -5 4 10.49 0.28 5 5 4 11.12 0.41 -5 5 -4 10.71 0.47 -5 5 -4 10.07 0.42 5 5 4 10.68 0.35 7 -5 4 24.50 0.81 -7 -5 -4 25.96 0.81 7 -5 4 25.61 0.79 -7 -5 -4 25.16 0.66 -7 5 -4 25.42 0.86 7 5 4 25.35 0.86 7 5 4 26.15 0.75 9 -5 4 70.30 1.76 -9 -5 -4 68.18 1.54 9 -5 4 71.95 1.92 -9 -5 -4 71.08 1.86 9 5 4 68.61 1.95 9 5 4 72.49 1.69 -9 5 -4 70.06 1.90 -11 -5 -4 39.05 1.24 11 -5 4 40.48 1.25 11 -5 4 39.49 1.15 11 5 4 39.51 1.29 -11 5 -4 39.65 1.26 -13 -5 -4 3.33 0.31 13 -5 4 3.61 0.29 13 -5 4 3.45 0.32 13 5 4 3.69 0.34 -13 5 -4 3.40 0.32 15 -5 4 145.74 3.75 -15 -5 -4 139.14 3.62 15 -5 4 141.06 3.31 -15 5 -4 141.93 3.63 15 5 4 141.31 3.80 -17 -5 -4 0.91 0.24 17 -5 4 0.22 0.14 17 5 4 0.16 0.16 -17 5 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4 99.21 2.14 2 -6 -4 101.46 2.58 2 6 -4 102.08 2.48 -2 6 4 100.85 2.28 -2 6 4 103.55 2.18 2 6 -4 103.97 2.54 0 -6 -4 31.26 0.89 0 -6 4 32.95 0.86 0 -6 -4 31.91 0.94 0 -6 4 29.99 0.76 0 6 4 31.53 0.80 0 6 -4 30.45 0.90 0 6 4 31.28 0.81 0 6 -4 31.43 0.98 2 -6 4 95.97 1.99 -2 -6 -4 96.17 2.42 -2 -6 -4 96.14 2.23 2 -6 4 96.20 2.21 -2 6 -4 95.97 2.37 2 6 4 95.11 2.06 -2 6 -4 96.24 2.40 2 6 4 97.84 2.24 -4 -6 -4 0.24 0.09 4 -6 4 0.15 0.05 4 -6 4 0.23 0.09 -4 6 -4 0.08 0.06 4 6 4 0.12 0.07 -4 6 -4 0.01 0.09 4 6 4 0.08 0.08 -6 -6 -4 136.06 2.81 -6 -6 -4 137.54 3.17 6 -6 4 132.28 3.05 6 6 4 135.80 2.99 6 6 4 129.71 3.34 -6 6 -4 133.52 3.28 -6 6 -4 134.57 3.26 -8 -6 -4 34.77 0.89 8 -6 4 35.22 1.05 -8 -6 -4 37.67 1.10 8 -6 4 36.52 1.08 8 6 4 35.94 0.97 -8 6 -4 35.70 1.13 8 6 4 34.60 1.12 -10 -6 -4 10.31 0.39 10 -6 4 10.56 0.49 10 -6 4 10.80 0.49 -10 -6 -4 10.15 0.51 10 6 4 10.34 0.52 -10 6 -4 9.82 0.52 10 6 4 10.91 0.42 -12 -6 -4 111.87 2.87 12 -6 4 113.34 2.69 12 -6 4 111.98 2.93 -12 6 -4 107.03 2.88 12 6 4 111.87 3.00 14 -6 4 3.29 0.32 14 -6 4 2.90 0.28 -14 -6 -4 3.06 0.32 -14 6 -4 2.59 0.35 14 6 4 3.05 0.32 16 -6 4 7.13 0.43 16 -6 4 6.75 0.48 -16 -6 -4 7.36 0.52 16 6 4 6.98 0.51 -16 6 -4 7.07 0.51 -17 -7 4 44.10 1.28 -17 -7 4 42.42 1.46 17 -7 -4 42.44 1.50 -17 7 4 42.95 1.22 17 7 -4 42.28 1.48 15 -7 -4 0.10 0.14 -15 -7 4 0.34 0.13 15 7 -4 0.24 0.15 -15 7 4 0.41 0.14 15 7 -4 0.17 0.13 13 -7 -4 7.16 0.42 13 -7 -4 7.10 0.45 -13 -7 4 6.72 0.40 13 7 -4 7.46 0.47 13 7 -4 7.29 0.45 -13 7 4 7.08 0.38 -11 -7 4 80.36 1.92 11 -7 -4 80.39 2.04 11 -7 -4 80.74 2.22 11 7 -4 79.84 2.19 11 7 -4 79.43 2.18 -11 7 4 80.25 1.89 -9 -7 4 76.13 1.81 9 -7 -4 77.23 2.09 9 -7 -4 77.77 1.94 9 7 -4 75.59 2.06 -9 7 4 75.99 1.79 9 7 -4 77.07 2.04 7 -7 -4 0.91 0.16 -7 -7 4 0.84 0.14 7 -7 -4 1.07 0.18 7 7 -4 0.91 0.15 7 7 -4 0.69 0.17 -7 7 4 0.62 0.13 5 -7 -4 141.81 3.27 -5 -7 4 145.31 3.10 5 -7 -4 148.47 3.58 -5 -7 4 143.98 3.05 5 7 -4 144.75 3.50 5 7 -4 142.31 3.48 -5 7 4 144.13 3.06 -5 7 4 143.66 3.27 -3 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3.47 11 -7 4 0.39 0.14 11 -7 4 0.24 0.13 -11 -7 -4 0.34 0.15 -11 7 -4 0.50 0.17 11 7 4 0.27 0.14 13 -7 4 4.04 0.34 -13 -7 -4 4.82 0.38 13 -7 4 4.02 0.33 13 7 4 4.29 0.37 -13 7 -4 4.08 0.37 15 -7 4 49.25 1.46 -15 -7 -4 48.01 1.59 15 7 4 50.59 1.66 -15 7 -4 49.10 1.61 -17 -7 -4 15.12 0.79 17 7 4 14.86 0.79 -17 7 -4 14.76 0.79 -18 -8 4 0.53 0.18 -18 -8 4 0.61 0.21 18 8 -4 0.72 0.22 -16 -8 4 7.75 0.46 -16 8 4 7.58 0.43 16 8 -4 7.65 0.50 16 8 -4 7.27 0.53 14 -8 -4 18.82 0.80 14 -8 -4 17.77 0.75 -14 -8 4 19.39 0.74 14 8 -4 18.23 0.83 -14 8 4 18.84 0.69 14 8 -4 18.73 0.79 12 -8 -4 24.46 0.89 -12 -8 4 23.83 0.82 12 -8 -4 24.59 0.91 -12 8 4 25.54 0.81 12 8 -4 24.31 0.96 12 8 -4 24.65 0.90 -10 -8 4 0.04 0.09 10 -8 -4 0.18 0.11 10 -8 -4 0.30 0.12 10 8 -4 0.10 0.09 -10 8 4 0.12 0.09 -8 -8 4 2.16 0.24 8 -8 -4 2.40 0.22 8 -8 -4 2.53 0.24 8 8 -4 2.51 0.21 8 8 -4 2.91 0.29 -8 8 4 2.37 0.22 -6 -8 4 29.08 0.86 6 -8 -4 30.92 0.96 -6 -8 4 29.40 0.79 6 -8 -4 32.08 0.97 -6 8 4 30.67 0.88 6 8 -4 30.73 0.90 6 8 -4 30.47 1.05 -4 -8 4 15.92 0.51 -4 -8 4 16.02 0.54 4 -8 -4 15.44 0.61 4 -8 -4 15.88 0.59 -4 8 4 16.87 0.54 4 8 -4 15.61 0.51 4 8 -4 16.31 0.68 -4 8 4 15.65 0.55 -2 -8 4 0.87 0.14 2 -8 -4 1.44 0.19 -2 -8 4 0.62 0.11 2 -8 -4 0.88 0.17 2 8 -4 0.90 0.19 -2 8 4 0.77 0.11 -2 8 4 0.90 0.14 0 -8 4 2.72 0.19 0 -8 -4 2.58 0.21 0 -8 -4 3.65 0.26 0 -8 4 2.97 0.22 0 8 4 2.85 0.19 0 8 -4 3.27 0.29 0 8 4 2.94 0.21 -2 -8 -4 37.85 1.08 2 -8 4 38.94 0.93 2 -8 4 38.11 1.07 -2 -8 -4 38.00 1.10 -2 8 -4 38.15 1.21 2 8 4 38.84 1.05 2 8 4 36.93 0.98 -4 -8 -4 3.03 0.23 4 -8 4 3.07 0.25 4 -8 4 3.35 0.18 -4 -8 -4 3.35 0.25 -4 8 -4 3.75 0.32 4 8 4 3.52 0.24 4 8 4 3.26 0.22 -6 -8 -4 0.26 0.10 -6 -8 -4 0.47 0.12 6 -8 4 0.19 0.10 -6 8 -4 0.23 0.12 -8 -8 -4 13.86 0.51 -8 -8 -4 14.29 0.61 8 -8 4 14.20 0.60 -8 -8 -4 15.45 0.56 -8 8 -4 14.33 0.66 8 8 4 14.94 0.62 -10 -8 -4 35.03 1.15 10 -8 4 34.97 1.12 -10 -8 -4 34.73 0.95 10 8 4 34.80 1.16 -10 8 -4 35.94 1.21 -12 -8 -4 8.58 0.52 12 -8 4 8.44 0.48 -12 8 -4 8.13 0.52 12 8 4 8.95 0.52 14 -8 4 0.69 0.19 -14 -8 -4 0.82 0.21 -14 8 -4 0.60 0.19 14 8 4 0.82 0.20 -16 -8 -4 12.09 0.69 16 -8 4 11.30 0.60 -16 8 -4 10.80 0.67 16 8 4 12.52 0.69 -17 -9 4 0.98 0.28 -17 -9 4 0.80 0.20 -17 9 4 1.12 0.21 -15 -9 4 47.90 1.37 15 9 -4 47.18 1.57 -15 9 4 43.76 1.28 13 -9 -4 133.34 3.24 -13 -9 4 132.67 3.05 -13 9 4 133.69 2.99 13 9 -4 135.54 3.49 -11 -9 4 1.68 0.24 11 -9 -4 2.07 0.28 -11 9 4 1.99 0.24 11 9 -4 2.03 0.31 9 -9 -4 11.62 0.55 -9 -9 4 10.06 0.47 -9 9 4 10.29 0.46 9 9 -4 9.95 0.57 7 -9 -4 164.89 3.74 -7 -9 4 161.86 3.48 7 9 -4 161.40 4.00 -7 9 4 160.32 3.47 -5 -9 4 49.59 1.21 5 -9 -4 47.05 1.36 -5 -9 4 47.50 1.24 5 9 -4 49.05 1.50 -5 9 4 49.41 1.26 -3 -9 4 19.76 0.64 3 -9 -4 21.05 0.75 -3 -9 4 20.76 0.65 -3 9 4 20.86 0.68 3 9 -4 21.68 0.85 -1 -9 4 98.06 2.18 1 -9 -4 99.33 2.40 -1 -9 4 101.00 2.32 1 -9 -4 100.70 2.53 -1 9 4 99.34 2.37 -1 9 4 97.80 2.22 1 9 -4 100.33 2.63 1 -9 4 58.89 1.49 -1 -9 -4 56.71 1.51 1 -9 4 57.87 1.34 -1 -9 -4 56.26 1.55 -1 9 -4 57.86 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4 -11 8.69 0.60 6 -4 11 0.36 0.15 -6 -4 -11 0.90 0.28 -6 4 -11 0.64 0.23 6 4 11 0.45 0.18 -8 -4 -11 38.36 1.51 8 -4 11 36.63 1.29 8 4 11 38.31 1.29 -8 4 -11 39.94 1.48 -11 -5 11 6.12 0.42 11 -5 -11 7.23 0.58 -11 5 11 6.66 0.44 11 5 -11 6.09 0.52 9 -5 -11 21.71 0.86 -9 -5 11 21.69 0.79 9 -5 -11 21.55 1.03 -9 5 11 22.70 0.82 9 5 -11 19.28 0.95 7 -5 -11 40.49 1.53 7 -5 -11 39.48 1.30 -7 -5 11 42.17 1.17 -7 5 11 40.51 1.19 7 5 -11 40.72 1.49 5 -5 -11 18.74 0.96 -5 -5 11 19.59 0.73 -5 5 11 18.36 0.69 5 5 -11 19.35 0.92 -5 5 11 18.66 0.79 -3 -5 11 2.67 0.30 3 -5 -11 2.84 0.44 -3 5 11 2.58 0.33 3 5 -11 3.10 0.42 -3 5 11 2.86 0.25 1 -5 -11 46.85 1.74 -1 -5 11 48.51 1.42 -1 5 11 47.81 1.47 1 5 -11 49.07 1.71 1 -5 11 14.22 0.65 -1 -5 -11 13.72 0.81 1 5 11 13.21 0.66 -1 5 -11 14.77 0.81 3 -5 11 10.68 0.58 -3 -5 -11 11.19 0.72 3 5 11 10.67 0.59 -3 5 -11 10.56 0.68 -5 -5 -11 10.20 0.68 5 -5 11 10.89 0.60 -5 5 -11 10.10 0.66 5 5 11 10.60 0.60 7 -5 11 21.08 0.90 -7 -5 -11 20.46 1.02 7 5 11 20.43 0.88 -7 5 -11 22.01 1.01 10 -6 -11 4.62 0.45 -10 -6 11 4.81 0.37 10 -6 -11 4.14 0.36 10 6 -11 4.01 0.42 -10 6 11 4.68 0.37 8 -6 -11 25.71 1.14 -8 -6 11 25.67 0.88 8 -6 -11 25.79 0.98 8 6 -11 26.66 1.11 -8 6 11 26.43 0.91 6 -6 -11 23.32 0.93 6 -6 -11 23.14 1.08 6 6 -11 23.16 1.02 -6 6 11 23.69 0.83 4 -6 -11 2.98 0.36 4 -6 -11 3.36 0.45 -4 -6 11 2.83 0.27 -4 6 11 2.88 0.27 4 6 -11 2.81 0.39 -2 -6 11 14.38 0.65 2 -6 -11 15.56 0.87 -2 6 11 15.51 0.72 -2 6 11 14.21 0.58 2 6 -11 16.75 0.85 0 -6 11 31.12 1.08 0 -6 -11 33.00 1.37 0 6 -11 32.41 1.30 0 6 11 33.14 1.15 2 -6 11 1.22 0.24 -2 -6 -11 1.99 0.36 2 6 11 1.19 0.25 -2 6 -11 1.82 0.35 -4 -6 -11 0.18 0.20 4 -6 11 0.28 0.17 -4 6 -11 0.09 0.17 4 6 11 0.42 0.18 -6 -6 -11 25.67 1.14 6 -6 11 23.10 0.95 6 6 11 23.73 0.96 -6 6 -11 23.64 0.99 -6 6 -11 24.07 1.07 9 -7 -11 2.29 0.38 -9 -7 11 2.51 0.31 9 -7 -11 2.32 0.33 -9 7 11 2.04 0.29 9 7 -11 1.70 0.30 -7 -7 11 3.78 0.31 7 -7 -11 4.31 0.38 7 -7 -11 3.78 0.41 -7 7 11 3.78 0.33 7 7 -11 4.00 0.39 5 -7 -11 59.29 1.75 5 7 -11 57.66 1.87 -5 7 11 58.56 1.56 3 -7 -11 19.32 0.99 -3 -7 11 20.46 0.78 3 -7 -11 20.79 0.89 -3 7 11 20.10 0.73 -1 -7 11 3.97 0.34 1 -7 -11 3.98 0.44 -1 7 11 4.03 0.38 1 -7 11 32.42 1.11 -1 -7 -11 32.66 1.35 1 7 11 31.22 1.15 3 -7 11 35.70 1.21 -3 -7 -11 35.48 1.44 3 7 11 36.49 1.25 -5 -7 -11 30.05 1.27 5 -7 11 27.85 1.06 -5 7 -11 28.67 1.12 5 7 11 28.08 1.07 -8 -8 11 31.90 1.01 8 -8 -11 29.64 1.12 8 -8 -11 32.05 1.28 -8 8 11 31.34 1.05 6 -8 -11 8.90 0.55 6 -8 -11 8.55 0.60 -6 8 11 9.66 0.51 4 -8 -11 43.90 1.64 4 -8 -11 46.11 1.48 -4 8 11 44.58 1.29 -2 -8 11 24.28 0.89 2 -8 -11 23.10 1.10 2 -8 -11 23.99 0.99 -2 8 11 22.96 0.81 0 -8 -11 31.09 1.31 0 -8 -11 30.26 1.15 0 -8 11 29.24 1.04 2 -8 11 49.52 1.50 -2 -8 -11 48.05 1.76 -2 -8 -11 48.12 1.56 -2 8 -11 47.13 1.59 -4 -8 -11 -0.01 0.17 4 -8 11 0.18 0.16 4 8 11 0.33 0.17 -4 8 -11 0.32 0.20 7 -9 -11 39.36 1.47 7 -9 -11 40.84 1.37 -7 9 11 39.32 1.23 5 -9 -11 9.84 0.65 5 -9 -11 9.44 0.60 -5 9 11 10.26 0.54 3 -9 -11 28.02 1.21 3 -9 -11 26.63 1.08 -3 9 11 29.61 0.96 1 -9 -11 25.32 1.03 1 -9 -11 25.10 1.15 -1 -9 11 24.63 0.93 -1 -9 -11 5.32 0.45 1 -9 11 4.42 0.38 -1 -9 -11 4.76 0.49 -1 9 -11 5.14 0.46 -12 0 12 1.87 0.29 12 0 -12 1.43 0.33 -10 0 12 98.43 2.36 10 0 -12 94.66 2.93 -8 0 12 15.20 0.64 8 0 -12 15.90 0.87 -6 0 12 2.36 0.30 -6 0 12 2.46 0.28 6 0 -12 2.42 0.41 -4 0 12 63.77 1.76 4 0 -12 61.61 2.14 2 0 -12 65.28 2.21 -2 0 12 63.77 1.80 0 0 -12 3.76 0.51 0 0 12 3.48 0.33 -2 0 -12 21.48 1.06 2 0 12 20.04 0.85 -4 0 -12 160.29 4.44 4 0 12 161.12 3.87 6 0 12 12.33 0.66 -6 0 -12 12.72 0.79 -11 -1 12 9.28 0.52 11 -1 -12 9.12 0.66 11 1 -12 9.78 0.68 -11 1 12 9.73 0.53 9 -1 -12 45.20 1.67 -9 -1 12 43.38 1.27 9 1 -12 44.18 1.65 -9 1 12 43.35 1.28 7 -1 -12 31.00 1.33 -7 -1 12 33.10 1.07 -7 -1 12 31.79 0.99 7 1 -12 33.81 1.37 -7 1 12 31.39 1.07 -7 1 12 33.84 1.02 -5 -1 12 68.68 1.85 5 -1 -12 67.74 2.27 5 1 -12 68.24 2.26 -5 1 12 67.12 1.87 -3 -1 12 2.41 0.30 3 -1 -12 2.69 0.44 -3 1 12 2.27 0.31 3 1 -12 2.75 0.44 1 -1 -12 8.13 0.65 -1 -1 12 8.86 0.52 -1 1 12 8.42 0.50 1 1 -12 7.88 0.64 -1 -1 -12 61.37 2.16 1 -1 12 65.06 1.83 -1 1 -12 66.89 2.20 1 1 12 63.30 1.83 3 -1 12 4.77 0.39 -3 -1 -12 4.67 0.48 3 1 12 5.18 0.42 -3 1 -12 5.36 0.51 -5 -1 -12 0.38 0.20 5 -1 12 -0.03 0.10 -5 1 -12 0.47 0.22 5 1 12 0.36 0.18 7 -1 12 49.57 1.59 -7 -1 -12 51.00 1.85 7 1 12 48.19 1.57 -7 1 -12 52.67 1.85 -10 -2 12 19.12 0.75 10 -2 -12 18.75 0.98 10 2 -12 18.40 0.96 -10 2 12 18.54 0.75 8 -2 -12 12.13 0.75 -8 -2 12 10.66 0.52 8 2 -12 10.30 0.70 -8 2 12 11.03 0.54 -8 2 12 12.10 0.59 6 -2 -12 4.48 0.47 -6 -2 12 4.63 0.35 -6 2 12 4.55 0.36 -6 2 12 4.44 0.32 6 2 -12 4.48 0.47 -4 -2 12 37.77 1.21 4 -2 -12 35.56 1.50 -4 2 12 38.56 1.25 4 2 -12 41.38 1.56 -2 -2 12 29.06 1.02 2 -2 -12 28.72 1.29 2 2 -12 28.68 1.27 -2 2 12 29.09 1.04 0 -2 -12 0.56 0.27 0 -2 12 0.53 0.18 0 2 12 0.48 0.18 0 2 -12 0.76 0.26 2 -2 12 6.91 0.46 -2 -2 -12 6.18 0.56 2 2 12 6.75 0.46 -2 2 -12 6.39 0.56 -4 -2 -12 56.78 2.00 4 -2 12 56.46 1.69 -4 2 -12 57.89 1.99 4 2 12 55.67 1.70 -6 -2 -12 11.61 0.76 6 -2 12 11.43 0.63 -6 2 -12 10.45 0.72 6 2 12 10.42 0.61 11 -3 -12 0.06 0.17 -11 -3 12 0.15 0.14 -11 3 12 0.04 0.14 11 3 -12 -0.04 0.15 9 -3 -12 10.40 0.71 -9 -3 12 10.89 0.54 -9 3 12 10.73 0.55 9 3 -12 10.92 0.71 7 -3 -12 0.10 0.15 -7 -3 12 0.06 0.11 -7 3 12 0.18 0.13 7 3 -12 0.06 0.16 -7 3 12 0.12 0.14 5 -3 -12 0.29 0.20 -5 -3 12 0.59 0.18 -5 3 12 0.32 0.16 -5 3 12 0.65 0.16 5 3 -12 0.34 0.22 3 -3 -12 8.15 0.66 -3 -3 12 8.39 0.49 -3 3 12 8.50 0.51 3 3 -12 7.78 0.63 -1 -3 12 1.32 0.24 1 -3 -12 1.66 0.37 1 3 -12 1.60 0.35 -1 3 12 1.34 0.26 1 -3 12 2.82 0.34 -1 -3 -12 2.08 0.40 1 3 12 1.76 0.29 -1 3 -12 2.12 0.39 -3 -3 -12 1.53 0.35 3 -3 12 1.33 0.25 3 3 12 1.14 0.25 -3 3 -12 1.26 0.33 5 -3 12 8.62 0.54 -5 -3 -12 9.55 0.69 -5 3 -12 8.31 0.64 5 3 12 8.98 0.56 -10 -4 12 0.23 0.15 10 -4 -12 0.42 0.22 -10 4 12 0.58 0.18 10 4 -12 0.64 0.24 8 -4 -12 4.81 0.47 -8 -4 12 4.76 0.35 8 4 -12 4.75 0.48 -8 4 12 4.90 0.37 6 -4 -12 17.69 0.94 6 4 -12 17.20 0.90 -6 4 12 16.22 0.66 -6 4 12 17.11 0.76 4 -4 -12 4.04 0.54 -4 -4 12 4.04 0.34 4 4 -12 3.92 0.43 -4 4 12 3.96 0.36 2 -4 -12 0.10 0.18 -2 -4 12 0.02 0.13 2 4 -12 0.27 0.22 -2 4 12 0.05 0.13 0 -4 12 52.67 1.57 0 -4 -12 51.90 1.92 0 4 -12 53.20 1.89 0 4 12 53.53 1.62 2 -4 12 1.62 0.28 -2 -4 -12 2.05 0.38 -2 4 -12 2.31 0.40 2 4 12 2.15 0.32 -4 -4 -12 22.34 1.12 4 -4 12 22.86 0.94 -4 4 -12 25.19 1.14 4 4 12 24.51 0.98 9 -5 -12 51.46 1.83 -9 -5 12 50.06 1.41 9 -5 -12 48.96 1.53 -9 5 12 50.22 1.45 9 5 -12 50.96 1.78 7 -5 -12 37.39 1.29 7 -5 -12 39.22 1.53 7 5 -12 39.81 1.49 -7 5 12 39.08 1.17 5 -5 -12 67.20 2.26 -5 5 12 67.61 1.73 -5 5 12 68.16 1.93 5 5 -12 67.27 2.19 -3 -5 12 24.96 0.92 3 -5 -12 24.90 1.19 -3 5 12 26.13 0.99 3 5 -12 25.60 1.15 -1 -5 12 2.33 0.31 1 -5 -12 2.30 0.43 -1 5 12 2.18 0.32 1 5 -12 2.68 0.43 -1 -5 -12 71.31 2.39 1 -5 12 69.97 1.97 -1 5 -12 71.52 2.34 1 5 12 73.31 2.04 -3 -5 -12 6.10 0.56 3 -5 12 5.56 0.44 -3 5 -12 5.57 0.52 3 5 12 5.44 0.44 8 -6 -12 8.34 0.54 8 -6 -12 8.76 0.64 -8 6 12 9.40 0.51 6 -6 -12 30.55 1.13 6 -6 -12 28.93 1.28 -6 6 12 29.47 0.99 6 6 -12 31.62 1.26 -4 -6 12 2.97 0.34 4 -6 -12 2.50 0.35 4 -6 -12 2.89 0.45 -4 6 12 2.90 0.31 4 6 -12 2.92 0.42 2 -6 -12 15.77 0.92 -2 -6 12 16.11 0.71 -2 6 12 15.17 0.74 2 6 -12 15.75 0.86 0 -6 12 24.34 0.94 0 -6 -12 24.97 1.20 0 6 -12 24.44 1.13 0 6 12 23.63 0.98 2 -6 12 2.35 0.33 -2 -6 -12 2.12 0.40 -2 6 -12 2.49 0.41 2 6 12 2.40 0.34 5 -7 -12 22.51 1.10 5 -7 -12 24.25 0.99 -5 7 12 23.01 0.84 -3 -7 12 4.03 0.34 3 -7 -12 3.22 0.41 3 -7 -12 3.28 0.49 -1 -7 12 41.89 1.34 1 -7 -12 43.73 1.46 1 -7 -12 43.72 1.69 -1 7 12 41.63 1.42 1 -7 12 55.54 1.66 -1 -7 -12 56.16 2.02 1 7 12 54.50 1.71 8 0 -13 0.25 0.19 -8 0 13 0.19 0.15 -6 0 13 0.05 0.14 6 0 -13 0.27 0.20 4 0 -13 -0.16 0.16 -4 0 13 0.00 0.12 -2 0 13 0.10 0.13 2 0 -13 0.11 0.18 0 0 -13 0.09 0.20 0 0 13 0.22 0.16 2 0 13 0.05 0.15 -2 0 -13 0.22 0.22 7 -1 -13 0.16 0.19 -7 1 13 -0.05 0.13 7 1 -13 0.05 0.17 5 -1 -13 13.99 0.86 -5 -1 13 13.65 0.65 -5 1 13 12.76 0.65 5 1 -13 14.50 0.87 -3 -1 13 1.04 0.22 3 -1 -13 1.42 0.34 3 1 -13 0.41 0.22 -3 1 13 1.18 0.25 -1 -1 13 3.07 0.37 1 -1 -13 2.92 0.47 -1 1 13 3.36 0.39 1 1 -13 3.31 0.50 1 -1 13 24.53 0.98 -1 -1 -13 24.49 1.22 -1 1 -13 24.88 1.22 1 1 13 25.29 1.00 6 -2 -13 2.11 0.39 -6 2 13 2.14 0.31 6 2 -13 1.97 0.38 -4 -2 13 36.65 1.22 4 -2 -13 36.57 1.54 -4 2 13 36.95 1.25 4 2 -13 37.68 1.53 -2 -2 13 60.36 1.78 2 -2 -13 61.57 2.20 -2 2 13 64.99 1.84 2 2 -13 60.18 2.16 0 -2 13 21.00 0.87 0 -2 -13 19.69 1.08 0 2 -13 20.11 1.07 0 2 13 18.78 0.85 2 -2 13 17.74 0.81 -2 -2 -13 17.49 1.00 -2 2 -13 16.97 0.97 2 2 13 16.68 0.80 -5 -3 13 68.98 1.95 5 -3 -13 74.09 2.44 5 3 -13 72.50 2.39 -5 3 13 73.44 2.03 3 -3 -13 1.44 0.35 -3 -3 13 0.67 0.20 3 3 -13 0.82 0.27 -3 3 13 0.96 0.23 1 -3 -13 8.39 0.68 1 3 -13 8.62 0.69 -1 3 13 8.67 0.56 1 -3 13 103.94 2.68 -1 -3 -13 104.63 3.20 1 3 13 99.66 2.68 -1 3 -13 99.07 3.12 -4 -4 13 3.26 0.37 4 -4 -13 2.58 0.45 -4 4 13 3.75 0.37 4 4 -13 3.47 0.49 2 -4 -13 37.32 1.59 -2 -4 13 38.78 1.28 -2 4 13 39.26 1.32 2 4 -13 38.35 1.56 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 42148 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -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 Cd1 Cd 0.15508(2) 0.40582(2) 0.03593(2) 0.00596(4) Uani 1 1 d . . . . . Cd2 Cd 0.0000 -0.05596(2) 0.2500 0.00581(4) Uani 1 2 d S T P . . S1 S 0.0000 0.50851(4) 0.2500 0.00498(8) Uani 1 2 d S T P . . O1 O 0.02506(7) 0.43498(9) 0.13422(11) 0.00807(19) Uani 1 1 d . . . . . O2 O -0.07824(7) 0.58062(9) 0.19395(11) 0.00794(19) Uani 1 1 d . . . . . S2 S 0.12952(2) 0.11714(3) 0.05724(4) 0.00507(6) Uani 1 1 d . . . . . O3 O 0.10406(7) 0.02764(9) -0.05095(11) 0.00823(19) Uani 1 1 d . . . . . O4 O 0.09965(7) 0.22732(9) -0.00401(12) 0.00881(19) Uani 1 1 d . . . . . O5 O 0.08469(7) 0.09376(9) 0.18583(11) 0.0085(2) Uani 1 1 d . . . . . O6 O 0.22959(7) 0.11647(9) 0.09932(11) 0.00841(19) Uani 1 1 d . . . . . O7 O 0.09394(7) 0.19509(9) 0.68224(12) 0.00872(19) Uani 1 1 d D . . . . H7A H 0.0889(19) 0.211(2) 0.5853(18) 0.036(7) Uiso 1 1 d D . . . . H7B H 0.0883(18) 0.2616(17) 0.732(2) 0.034(7) Uiso 1 1 d D . . . . O8 O 0.27620(8) 0.07513(9) 0.40106(12) 0.0100(2) Uani 1 1 d D . . . . H8A H 0.2157(13) 0.064(3) 0.413(3) 0.050(9) Uiso 1 1 d D . . . . H8B H 0.2770(18) 0.083(2) 0.3045(18) 0.034(7) Uiso 1 1 d D . . . . O9 O 0.22141(8) 0.35926(10) 0.25997(12) 0.0111(2) Uani 1 1 d D . . . . H9A H 0.2817(12) 0.335(2) 0.278(3) 0.037(7) Uiso 1 1 d D . . . . H9B H 0.1864(16) 0.318(2) 0.318(3) 0.042(8) Uiso 1 1 d D . . . . O10 O 0.09503(8) 0.25121(9) 0.40686(12) 0.0097(2) Uani 1 1 d D . . . . H10A H 0.0830(18) 0.1941(18) 0.339(3) 0.036(7) Uiso 1 1 d D . . . . H10B H 0.0500(17) 0.306(2) 0.396(3) 0.046(8) 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 Cd1 0.00541(5) 0.00683(5) 0.00578(5) -0.00021(3) 0.00123(3) -0.00021(3) Cd2 0.00550(7) 0.00605(7) 0.00583(7) 0.000 0.00056(5) 0.000 S1 0.00483(19) 0.00538(19) 0.00477(19) 0.000 0.00082(15) 0.000 O1 0.0082(5) 0.0091(5) 0.0076(4) -0.0023(4) 0.0034(4) -0.0002(4) O2 0.0069(5) 0.0087(5) 0.0079(5) 0.0004(4) -0.0002(4) 0.0027(4) S2 0.00504(14) 0.00536(14) 0.00487(14) 0.00012(11) 0.00092(11) -0.00015(11) O3 0.0095(5) 0.0079(5) 0.0068(5) -0.0017(4) -0.0009(4) 0.0006(4) O4 0.0105(5) 0.0059(5) 0.0096(5) 0.0018(4) -0.0004(4) 0.0004(4) O5 0.0096(5) 0.0100(5) 0.0069(5) -0.0001(4) 0.0045(4) -0.0025(4) O6 0.0051(4) 0.0127(5) 0.0075(5) -0.0006(4) 0.0009(4) 0.0005(4) O7 0.0092(5) 0.0092(5) 0.0079(5) 0.0002(4) 0.0014(4) -0.0003(4) O8 0.0104(5) 0.0104(5) 0.0093(5) 0.0012(4) 0.0018(4) 0.0009(4) O9 0.0092(5) 0.0147(5) 0.0091(5) 0.0027(4) 0.0009(4) 0.0004(4) O10 0.0101(5) 0.0095(5) 0.0094(5) -0.0006(4) 0.0013(4) 0.0006(4) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O O 0.0106 0.0060 '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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cd Cd -0.8075 1.2024 '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 O1 Cd1 O6 170.03(4) . 7 O1 Cd1 O9 86.74(4) . . O6 Cd1 O9 103.21(4) 7 . O1 Cd1 O4 84.46(4) . . O6 Cd1 O4 94.54(4) 7 . O9 Cd1 O4 91.75(4) . . O1 Cd1 O8 97.55(4) . 4 O6 Cd1 O8 84.70(4) 7 4 O9 Cd1 O8 81.30(4) . 4 O4 Cd1 O8 172.62(4) . 4 O1 Cd1 O2 91.92(4) . 5_565 O6 Cd1 O2 78.19(4) 7 5_565 O9 Cd1 O2 169.52(4) . 5_565 O4 Cd1 O2 77.77(4) . 5_565 O8 Cd1 O2 109.17(4) 4 5_565 O3 Cd2 O3 163.15(5) 5 6_556 O3 Cd2 O5 90.10(4) 5 . O3 Cd2 O5 76.82(4) 6_556 . O3 Cd2 O5 76.82(4) 5 2 O3 Cd2 O5 90.11(4) 6_556 2 O5 Cd2 O5 78.90(5) . 2 O3 Cd2 O7 88.13(4) 5 5_556 O3 Cd2 O7 104.05(4) 6_556 5_556 O5 Cd2 O7 175.22(4) . 5_556 O5 Cd2 O7 96.36(4) 2 5_556 O3 Cd2 O7 104.05(4) 5 6 O3 Cd2 O7 88.13(4) 6_556 6 O5 Cd2 O7 96.36(4) . 6 O5 Cd2 O7 175.22(4) 2 6 O7 Cd2 O7 88.38(6) 5_556 6 O2 S1 O2 109.43(9) . 2 O2 S1 O1 109.60(6) . . O2 S1 O1 110.13(6) 2 . O2 S1 O1 110.13(6) . 2 O2 S1 O1 109.60(6) 2 2 O1 S1 O1 107.94(9) . 2 S1 O1 Cd1 134.27(6) . . S1 O2 Cd1 129.74(6) . 5_565 O4 S2 O6 110.37(6) . . O4 S2 O5 110.10(6) . . O6 S2 O5 108.51(6) . . O4 S2 O3 109.11(6) . . O6 S2 O3 109.57(6) . . O5 S2 O3 109.16(6) . . S2 O3 Cd2 122.75(6) . 5 S2 O4 Cd1 132.41(6) . . S2 O5 Cd2 132.62(6) . . S2 O6 Cd1 130.26(6) . 7 Cd2 O7 H7A 116.4(17) 5_556 . Cd2 O7 H7B 111.8(17) 5_556 . H7A O7 H7B 109(2) . . Cd1 O8 H8A 105(2) 4_545 . Cd1 O8 H8B 106.5(17) 4_545 . H8A O8 H8B 106(2) . . Cd1 O9 H9A 122.1(17) . . Cd1 O9 H9B 117.5(17) . . H9A O9 H9B 109(2) . . H10A O10 H10B 111(2) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Cd1 O1 2.2687(11) . Cd1 O6 2.2759(11) 7 Cd1 O9 2.2802(11) . Cd1 O4 2.2837(11) . Cd1 O8 2.2938(11) 4 Cd1 O2 2.3203(11) 5_565 Cd2 O3 2.2933(11) 5 Cd2 O3 2.2933(11) 6_556 Cd2 O5 2.2995(11) . Cd2 O5 2.2995(11) 2 Cd2 O7 2.3012(11) 5_556 Cd2 O7 2.3012(11) 6 S1 O2 1.4804(11) . S1 O2 1.4804(11) 2 S1 O1 1.4825(11) . S1 O1 1.4825(11) 2 O2 Cd1 2.3203(11) 5_565 S2 O4 1.4732(11) . S2 O6 1.4823(11) . S2 O5 1.4832(11) . S2 O3 1.4870(11) . O3 Cd2 2.2933(11) 5 O6 Cd1 2.2758(11) 7 O7 Cd2 2.3011(11) 5_556 O7 H7A 0.928(16) . O7 H7B 0.927(16) . O8 Cd1 2.2939(11) 4_545 O8 H8A 0.925(17) . O8 H8B 0.918(16) . O9 H9A 0.934(16) . O9 H9B 0.935(17) . O10 H10A 0.930(16) . O10 H10B 0.930(17) . 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 O7 H7A O10 0.928(16) 1.764(17) 2.6852(16) 171(3) . O7 H7B S1 0.927(16) 3.04(2) 3.8637(12) 149(2) 5_566 O7 H7B O2 0.927(16) 2.010(17) 2.9267(16) 170(2) 5_566 O7 H7B O4 0.927(16) 2.51(2) 2.9763(16) 111.5(19) 1_556 O8 H8A S2 0.925(17) 2.93(3) 3.5941(12) 130(2) 6_556 O8 H8A O3 0.925(17) 2.05(2) 2.9119(16) 155(3) 6_556 O8 H8A O5 0.925(17) 2.72(3) 3.2720(16) 119(2) . O8 H8B O2 0.918(16) 2.50(2) 3.0923(16) 122(2) 3_545 O8 H8B S2 0.918(16) 3.01(2) 3.6952(12) 133(2) . O8 H8B O6 0.918(16) 2.012(19) 2.8836(15) 158(2) . O9 H9A O7 0.934(16) 1.863(17) 2.7909(16) 173(3) 7_556 O9 H9B O10 0.935(17) 1.862(17) 2.7816(16) 167(2) . O10 H10A S2 0.930(16) 2.98(2) 3.7573(12) 142(2) . O10 H10A O5 0.930(16) 1.879(17) 2.7892(15) 166(3) . O10 H10A O5 0.930(16) 2.73(3) 3.2737(16) 118(2) 2 O10 H10B S1 0.930(17) 2.81(2) 3.5969(12) 143(2) . O10 H10B O1 0.930(17) 1.887(17) 2.8068(16) 170(3) 2 O10 H10B O4 0.930(17) 2.72(3) 3.1476(16) 109(2) 2 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 O2 S1 O1 Cd1 123.58(9) . . . . O2 S1 O1 Cd1 3.14(11) 2 . . . O1 S1 O1 Cd1 -116.47(10) 2 . . . O2 S1 O2 Cd1 118.54(9) 2 . . 5_565 O1 S1 O2 Cd1 -2.32(10) . . . 5_565 O1 S1 O2 Cd1 -120.92(8) 2 . . 5_565 O4 S2 O3 Cd2 -16.08(9) . . . 5 O6 S2 O3 Cd2 -137.01(7) . . . 5 O5 S2 O3 Cd2 104.29(8) . . . 5 O6 S2 O4 Cd1 -30.12(11) . . . . O5 S2 O4 Cd1 89.65(9) . . . . O3 S2 O4 Cd1 -150.57(8) . . . . O4 S2 O5 Cd2 126.35(8) . . . . O6 S2 O5 Cd2 -112.76(9) . . . . O3 S2 O5 Cd2 6.60(11) . . . . O4 S2 O6 Cd1 -79.24(9) . . . 7 O5 S2 O6 Cd1 160.04(7) . . . 7 O3 S2 O6 Cd1 40.93(10) . . . 7