data_shelx _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al0.21 H6 Ba0.92 Ca0.03 Fe2.79 K0.05 O14 P1.12 S0.88' _chemical_formula_weight 583.84 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'H' 'H' 0.0000 0.0000 '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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ba' 'Ba' -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.2262 0.3064 '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' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system trigonal _space_group_IT_number 166 _space_group_name_H-M_alt 'R -3 m :H' _space_group_name_Hall '-R 3 2"' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-y+2/3, -x+1/3, z+1/3' '-x+y+2/3, y+1/3, z+1/3' 'x+2/3, x-y+1/3, z+1/3' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-y+1/3, -x+2/3, z+2/3' '-x+y+1/3, y+2/3, z+2/3' 'x+1/3, x-y+2/3, z+2/3' _cell_length_a 7.2709(5) _cell_length_b 7.2709(5) _cell_length_c 17.2799(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 791.13(12) _cell_formula_units_Z 3 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 2338 _cell_measurement_theta_min 3.520 _cell_measurement_theta_max 27.918 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 3.676 _exptl_crystal_F_000 832 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.075 _exptl_crystal_size_mid 0.060 _exptl_crystal_size_min 0.035 _exptl_absorpt_coefficient_mu 7.633 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.586 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 16.1695 _diffrn_reflns_number 8945 _diffrn_reflns_av_unetI/netI 0.0233 _diffrn_reflns_av_R_equivalents 0.0858 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 3.444 _diffrn_reflns_theta_max 28.637 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.958 _diffrn_measured_fraction_theta_full 0.946 _diffrn_reflns_Laue_measured_fraction_max 0.958 _diffrn_reflns_Laue_measured_fraction_full 0.946 _diffrn_reflns_point_group_measured_fraction_max 0.958 _diffrn_reflns_point_group_measured_fraction_full 0.946 _reflns_number_total 271 _reflns_number_gt 257 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _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. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0613P)^2^+78.3733P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refxyz _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 271 _refine_ls_number_parameters 27 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0534 _refine_ls_R_factor_gt 0.0504 _refine_ls_wR_factor_ref 0.1397 _refine_ls_wR_factor_gt 0.1383 _refine_ls_goodness_of_fit_ref 1.084 _refine_ls_restrained_S_all 1.083 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 Ba Ba 0.333333 0.666667 0.166667 0.0197(6) Uani 0.9204 12 d S T P . . K K 0.333333 0.666667 0.166667 0.0197(6) Uani 0.0504 12 d S T P . . Ca Ca 0.333333 0.666667 0.166667 0.0197(6) Uani 0.03 12 d S T P . . Fe Fe 0.666667 0.833333 0.333333 0.0116(6) Uani 0.9288 4 d S T P . . Al Al 0.666667 0.833333 0.333333 0.0116(6) Uani 0.0712 4 d S T P . . P P 0.333333 0.666667 0.4755(3) 0.0106(9) Uani 0.5622 6 d S T P . . S S 0.333333 0.666667 0.4755(3) 0.0106(9) Uani 0.438 6 d S T P . . O1 O 0.333333 0.666667 0.5621(7) 0.016(3) Uani 1 6 d S T P . . O2 O 0.5588(12) 0.7794(6) 0.4442(4) 0.0137(15) Uani 1 2 d S T P . . OH3 O 0.4602(6) 0.5398(6) 0.3004(4) 0.0126(14) Uani 1 2 d DS T P . . H H 0.534(3) 0.466(3) 0.296(7) 0.015 Uiso 1 2 d DS U P . . 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 Ba 0.0216(7) 0.0216(7) 0.0158(9) 0.000 0.000 0.0108(3) K 0.0216(7) 0.0216(7) 0.0158(9) 0.000 0.000 0.0108(3) Ca 0.0216(7) 0.0216(7) 0.0158(9) 0.000 0.000 0.0108(3) Fe 0.0078(11) 0.0083(8) 0.0184(11) -0.0011(4) -0.0022(8) 0.0039(5) Al 0.0078(11) 0.0083(8) 0.0184(11) -0.0011(4) -0.0022(8) 0.0039(5) P 0.0101(13) 0.0101(13) 0.0115(19) 0.000 0.000 0.0051(6) S 0.0101(13) 0.0101(13) 0.0115(19) 0.000 0.000 0.0051(6) O1 0.019(4) 0.019(4) 0.009(6) 0.000 0.000 0.010(2) O2 0.013(4) 0.015(3) 0.012(3) -0.0007(13) -0.001(3) 0.0063(18) OH3 0.011(2) 0.011(2) 0.015(3) 0.0003(15) -0.0003(15) 0.004(3) _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. ; 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 Ba OH3 2.810(7) 26_455 ? Ba OH3 2.810(7) 27 ? Ba OH3 2.810(7) 25_565 ? Ba OH3 2.810(7) 2_665 ? Ba OH3 2.810(7) . ? Ba OH3 2.810(7) 3_565 ? Ba O2 2.940(8) 32_455 ? Ba O2 2.940(8) 13_444 ? Ba O2 2.940(8) 31_665 ? Ba O2 2.940(8) 15_564 ? Ba O2 2.940(8) 33_545 ? Ba O2 2.941(8) 14_654 ? Fe OH3 1.982(3) 31_665 ? Fe OH3 1.982(3) . ? Fe OH3 1.982(3) 2_665 ? Fe OH3 1.982(3) 32 ? Fe O2 2.033(7) . ? Fe O2 2.033(7) 31_665 ? P O1 1.497(13) . ? P O2 1.519(8) 2_665 ? P O2 1.519(8) . ? P O2 1.519(8) 3_565 ? OH3 H 0.93(3) . ? 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 OH3 Ba OH3 59.0(3) 26_455 27 ? OH3 Ba OH3 59.0(3) 26_455 25_565 ? OH3 Ba OH3 59.0(3) 27 25_565 ? OH3 Ba OH3 180.00(16) 26_455 2_665 ? OH3 Ba OH3 121.0(3) 27 2_665 ? OH3 Ba OH3 121.0(3) 25_565 2_665 ? OH3 Ba OH3 121.0(3) 26_455 . ? OH3 Ba OH3 121.0(3) 27 . ? OH3 Ba OH3 180.0 25_565 . ? OH3 Ba OH3 59.0(3) 2_665 . ? OH3 Ba OH3 121.0(3) 26_455 3_565 ? OH3 Ba OH3 180.0(3) 27 3_565 ? OH3 Ba OH3 121.0(3) 25_565 3_565 ? OH3 Ba OH3 59.0(3) 2_665 3_565 ? OH3 Ba OH3 59.0(3) . 3_565 ? OH3 Ba O2 122.56(12) 26_455 32_455 ? OH3 Ba O2 122.56(12) 27 32_455 ? OH3 Ba O2 74.5(2) 25_565 32_455 ? OH3 Ba O2 57.44(12) 2_665 32_455 ? OH3 Ba O2 105.5(2) . 32_455 ? OH3 Ba O2 57.44(12) 3_565 32_455 ? OH3 Ba O2 57.44(12) 26_455 13_444 ? OH3 Ba O2 105.5(2) 27 13_444 ? OH3 Ba O2 57.44(12) 25_565 13_444 ? OH3 Ba O2 122.56(12) 2_665 13_444 ? OH3 Ba O2 122.56(12) . 13_444 ? OH3 Ba O2 74.5(2) 3_565 13_444 ? O2 Ba O2 70.19(14) 32_455 13_444 ? OH3 Ba O2 122.56(12) 26_455 31_665 ? OH3 Ba O2 74.5(2) 27 31_665 ? OH3 Ba O2 122.56(12) 25_565 31_665 ? OH3 Ba O2 57.44(12) 2_665 31_665 ? OH3 Ba O2 57.44(12) . 31_665 ? OH3 Ba O2 105.5(2) 3_565 31_665 ? O2 Ba O2 109.81(14) 32_455 31_665 ? O2 Ba O2 180.0 13_444 31_665 ? OH3 Ba O2 105.5(2) 26_455 15_564 ? OH3 Ba O2 57.44(12) 27 15_564 ? OH3 Ba O2 57.44(12) 25_565 15_564 ? OH3 Ba O2 74.5(2) 2_665 15_564 ? OH3 Ba O2 122.56(12) . 15_564 ? OH3 Ba O2 122.56(12) 3_565 15_564 ? O2 Ba O2 70.19(14) 32_455 15_564 ? O2 Ba O2 109.81(14) 13_444 15_564 ? O2 Ba O2 70.19(14) 31_665 15_564 ? OH3 Ba O2 74.5(2) 26_455 33_545 ? OH3 Ba O2 122.56(12) 27 33_545 ? OH3 Ba O2 122.56(12) 25_565 33_545 ? OH3 Ba O2 105.5(2) 2_665 33_545 ? OH3 Ba O2 57.44(12) . 33_545 ? OH3 Ba O2 57.44(12) 3_565 33_545 ? O2 Ba O2 109.81(14) 32_455 33_545 ? O2 Ba O2 70.19(14) 13_444 33_545 ? O2 Ba O2 109.81(14) 31_665 33_545 ? O2 Ba O2 180.0 15_564 33_545 ? OH3 Ba O2 57.44(12) 26_455 14_654 ? OH3 Ba O2 57.44(12) 27 14_654 ? OH3 Ba O2 105.5(2) 25_565 14_654 ? OH3 Ba O2 122.56(12) 2_665 14_654 ? OH3 Ba O2 74.5(2) . 14_654 ? OH3 Ba O2 122.56(12) 3_565 14_654 ? O2 Ba O2 180.0 32_455 14_654 ? O2 Ba O2 109.81(14) 13_444 14_654 ? O2 Ba O2 70.19(14) 31_665 14_654 ? O2 Ba O2 109.81(14) 15_564 14_654 ? O2 Ba O2 70.19(14) 33_545 14_654 ? OH3 Fe OH3 180.0 31_665 . ? OH3 Fe OH3 91.4(4) 31_665 2_665 ? OH3 Fe OH3 88.6(4) . 2_665 ? OH3 Fe OH3 88.6(4) 31_665 32 ? OH3 Fe OH3 91.4(4) . 32 ? OH3 Fe OH3 180.0(4) 2_665 32 ? OH3 Fe O2 87.1(2) 31_665 . ? OH3 Fe O2 92.9(3) . . ? OH3 Fe O2 92.9(2) 2_665 . ? OH3 Fe O2 87.1(2) 32 . ? OH3 Fe O2 92.9(3) 31_665 31_665 ? OH3 Fe O2 87.1(2) . 31_665 ? OH3 Fe O2 87.1(2) 2_665 31_665 ? OH3 Fe O2 92.9(2) 32 31_665 ? O2 Fe O2 180.0 . 31_665 ? OH3 Fe Ba 128.2(2) 31_665 . ? OH3 Fe Ba 51.8(2) . . ? OH3 Fe Ba 51.8(2) 2_665 . ? OH3 Fe Ba 128.2(2) 32 . ? O2 Fe Ba 124.4(2) . . ? O2 Fe Ba 55.6(2) 31_665 . ? OH3 Fe Ba 51.8(2) 31_665 7 ? OH3 Fe Ba 128.2(2) . 7 ? OH3 Fe Ba 128.2(2) 2_665 7 ? OH3 Fe Ba 51.8(2) 32 7 ? O2 Fe Ba 55.6(2) . 7 ? O2 Fe Ba 124.4(2) 31_665 7 ? Ba Fe Ba 180.0 . 7 ? O1 P O2 110.8(3) . 2_665 ? O1 P O2 110.8(3) . . ? O2 P O2 108.1(3) 2_665 . ? O1 P O2 110.8(3) . 3_565 ? O2 P O2 108.1(3) 2_665 3_565 ? O2 P O2 108.1(3) . 3_565 ? P O2 Fe 130.3(5) . . ? P O2 Ba 140.1(4) . 7 ? Fe O2 Ba 89.6(3) . 7 ? Fe OH3 Fe 133.0(4) . 3_565 ? Fe OH3 Ba 94.5(2) . . ? Fe OH3 Ba 94.5(2) 3_565 . ? Fe OH3 H 107(2) . . ? Fe OH3 H 107(2) 3_565 . ? Ba OH3 H 120(7) . . ? _refine_diff_density_max 3.453 _refine_diff_density_min -1.843 _refine_diff_density_rms 0.330 _shelx_res_file ; TITL shelxt_a.res in R-3m shelx.res created by SHELXL-2018/1 at 14:20:22 on 11-Jun-2025 CELL 0.71073 7.2709 7.2709 17.2799 90.000 90.000 120.000 ZERR 3.00 0.0005 0.0005 0.0010 0.000 0.000 0.000 LATT 3 SYMM - Y, X - Y, Z SYMM - X + Y, - X, Z SYMM Y, X, - Z SYMM X - Y, - Y, - Z SYMM - X, - X + Y, - Z SFAC H O P FE BA K CA S AL UNIT 18 42 3.37 8.36 2.76 0.15 0.09 2.63 0.64 OMIT -3 3 18 OMIT -1 4 4 OMIT -2 6 13 OMIT -1 6 8 OMIT -3 7 2 OMIT -3 4 14 OMIT 0 3 12 OMIT -3 7 8 OMIT 0 4 17 OMIT -6 6 9 OMIT -3 4 2 OMIT -1 5 18 DFIX 0.95 0.03 H OH3 eadp BA K CA exyz BA K CA eadp FE AL exyz FE AL eadp P S exyz P S MERG 2 FMAP 2 PLAN 20 BOND $H LIST 6 HTAB L.S. 10 ACTA WGHT 0.061300 78.373299 FVAR 0.09348 BA 5 0.333333 0.666667 0.166667 10.07670 0.02158 0.02158 = 0.01581 0.00000 0.00000 0.01079 K 6 0.333333 0.666667 0.166667 10.00420 0.02158 0.02158 = 0.01581 0.00000 0.00000 0.01079 CA 7 0.333333 0.666667 0.166667 10.00250 0.02158 0.02158 = 0.01581 0.00000 0.00000 0.01079 FE 4 0.666667 0.833333 0.333333 10.23220 0.00780 0.00834 = 0.01844 -0.00110 -0.00219 0.00390 AL 9 0.666667 0.833333 0.333333 10.01780 0.00780 0.00834 = 0.01844 -0.00110 -0.00219 0.00390 P 3 0.333333 0.666667 0.475471 10.09370 0.01012 0.01012 = 0.01148 0.00000 0.00000 0.00506 S 8 0.333333 0.666667 0.475471 10.07300 0.01012 0.01012 = 0.01148 0.00000 0.00000 0.00506 O1 2 0.333333 0.666667 0.562130 10.16667 0.01937 0.01937 = 0.00905 0.00000 0.00000 0.00968 O2 2 0.558808 0.779404 0.444233 10.50000 0.01257 0.01534 = 0.01241 -0.00074 -0.00147 0.00629 OH3 2 0.460231 0.539769 0.300439 10.50000 0.01082 0.01082 = 0.01484 0.00031 -0.00031 0.00441 H 1 0.534148 0.465852 0.296371 10.50000 -1.20000 HKLF 4 REM shelxt_a.res in R-3m REM R1 = 0.0504 for 257 Fo > 4sig(Fo) and 0.0534 for all 271 data REM 27 parameters refined using 1 restraints END WGHT 0.0651 44.1610 REM Instructions for potential hydrogen bonds EQIV $14 x+1/3, y-1/3, z-1/3 HTAB OH3 O1_$14 REM Highest difference peak 3.453, deepest hole -1.843, 1-sigma level 0.330 Q1 1 0.3333 0.6667 0.1140 10.16667 0.05 3.45 Q2 1 0.6599 0.8299 0.3845 10.50000 0.05 1.83 Q3 1 0.3333 0.6667 0.5281 10.16667 0.05 1.10 Q4 1 0.3333 0.6667 0.4149 10.16667 0.05 1.04 Q5 1 0.3333 0.5356 0.1667 10.50000 0.05 1.04 Q6 1 0.6667 0.3333 0.3333 10.08333 0.05 0.86 Q7 1 0.4870 0.5130 0.3256 10.50000 0.05 0.77 Q8 1 0.3333 0.6667 0.3682 10.16667 0.05 0.75 Q9 1 0.7513 0.8041 0.3506 11.00000 0.05 0.63 Q10 1 0.3333 0.6667 0.6154 10.16667 0.05 0.60 Q11 1 0.4531 0.7266 0.4483 10.50000 0.05 0.59 Q12 1 0.5212 0.7606 0.4003 10.50000 0.05 0.57 Q13 1 0.7125 0.8563 0.4401 10.50000 0.05 0.46 Q14 1 0.4769 0.6554 0.3621 11.00000 0.05 0.39 Q15 1 0.3333 0.6667 0.3276 10.16667 0.05 0.37 Q16 1 0.3713 0.7427 0.5776 10.50000 0.05 0.36 Q17 1 0.3333 0.6667 0.0701 10.16667 0.05 0.33 Q18 1 0.7176 0.8588 0.5200 10.50000 0.05 0.20 Q19 1 0.4252 0.7126 0.2720 10.50000 0.05 0.15 Q20 1 0.2110 0.5363 0.5655 11.00000 0.05 0.15 ; _shelx_res_checksum 61189 _shelx_hkl_file ; 0 0 3 22.52 2.77 0 0 3 21.31 2.22 0 0 3 24.15 2.53 0 0 -3 22.29 2.76 0 0 -3 21.84 2.49 0 0 3 19.99 2.65 0 0 3 20.41 1.74 0 0 -3 21.35 2.18 0 0 -3 22.28 1.77 0 0 -3 20.95 2.68 0 0 -3 22.33 2.14 0 0 3 19.21 2.40 0 0 -3 25.26 2.58 0 0 3 21.53 2.72 0 0 -3 23.41 2.78 0 0 3 17.75 2.53 0 0 -3 18.49 2.54 0 0 3 26.79 2.87 0 0 3 24.88 2.29 0 0 6 754.41 30.36 0 0 -6 724.57 31.07 0 0 -6 792.20 31.80 0 0 6 770.17 31.94 0 0 6 783.14 31.34 0 0 6 719.71 28.46 0 0 -6 724.15 30.95 0 0 -6 707.79 29.56 0 0 6 731.17 31.38 0 0 6 795.73 32.17 0 0 6 776.46 32.03 0 0 -6 727.99 31.68 0 0 6 769.14 32.05 0 0 -6 753.67 31.93 0 0 -6 688.89 28.31 0 0 -6 697.15 31.41 0 0 -6 727.22 31.54 0 0 -6 732.63 30.29 0 0 -9 111.17 9.68 0 0 9 115.42 8.49 0 0 -9 110.26 9.89 0 0 -9 104.00 6.55 0 0 -9 109.12 9.61 0 0 -9 100.13 8.90 0 0 -9 99.02 7.66 0 0 -9 124.03 10.27 0 0 9 110.57 9.36 0 0 9 116.43 6.96 0 0 -12 93.96 10.23 0 0 -12 96.75 6.75 0 0 -12 91.78 8.35 0 0 -12 113.39 11.02 0 0 -12 94.12 9.66 0 0 12 108.07 9.30 0 0 12 103.49 10.49 0 0 -12 115.63 11.12 0 0 -12 104.84 10.82 0 0 12 101.45 7.18 0 0 -12 97.12 10.39 0 0 -15 15.51 5.33 0 0 -15 9.70 3.66 0 0 -15 14.28 5.10 0 0 -15 11.77 4.47 0 0 -15 4.82 3.77 0 0 -15 12.27 4.06 0 0 15 11.06 4.75 0 0 -15 12.53 4.66 0 0 15 11.22 3.91 0 0 -18 117.36 10.95 0 0 18 109.32 11.86 0 0 -18 92.98 12.67 0 0 -18 101.29 13.28 0 0 -18 109.68 13.73 0 0 -18 115.95 13.30 0 0 18 108.46 13.30 0 0 -18 114.43 14.34 0 0 -18 108.85 13.54 0 0 -21 0.92 4.94 0 0 -21 6.16 5.08 0 0 -21 -4.82 4.54 0 0 -21 -0.10 4.09 0 0 21 0.84 2.61 0 0 -21 1.26 3.58 0 0 21 5.53 5.08 0 0 -21 7.27 5.18 1 -1 23 37.71 8.19 0 -1 -20 6.88 4.76 0 -1 -20 11.56 5.64 1 -1 20 9.81 4.80 0 -1 -20 8.67 5.37 -1 1 -20 7.64 3.75 0 1 20 16.36 6.64 -1 1 -20 14.35 5.49 1 0 -20 13.91 5.64 -1 1 -20 22.97 6.89 1 0 -20 18.83 5.73 0 -1 -20 16.60 6.25 -1 1 -20 18.12 6.21 0 1 20 12.05 5.05 -1 1 -20 5.45 5.01 1 0 -20 6.68 4.34 1 0 -20 18.63 5.24 0 -1 -20 8.62 5.35 -1 1 -20 6.74 4.56 1 -1 20 15.22 6.32 -1 0 20 13.49 5.90 0 -1 -20 13.37 5.21 -1 0 20 24.78 6.35 1 0 -20 10.44 5.27 1 0 -20 6.40 4.67 1 0 -20 9.98 5.28 1 0 -17 72.74 9.41 -1 1 -17 60.11 9.86 -1 1 -17 72.02 10.35 0 -1 -17 62.57 10.23 0 1 17 78.58 9.09 1 0 -17 63.92 10.11 0 -1 -17 69.39 10.52 1 0 -17 70.17 10.83 -1 0 17 59.19 9.71 -1 1 -17 66.12 7.59 -1 1 -17 65.80 10.08 0 -1 -17 68.52 10.55 0 -1 -17 81.23 10.94 0 -1 -17 59.50 9.83 1 0 -17 64.17 10.29 0 1 17 75.29 10.93 -1 1 -17 64.39 10.20 -1 1 -17 59.76 9.96 -1 0 17 74.52 9.47 0 -1 -17 70.85 7.81 1 0 -17 66.55 10.33 1 -1 17 77.59 10.16 1 -1 17 67.09 9.99 -1 1 -17 80.40 11.00 1 0 -17 73.62 9.92 1 0 -17 61.94 10.23 0 -1 -17 89.52 12.22 1 0 -14 24.73 5.62 1 0 -14 15.49 5.21 -1 1 -14 21.58 4.34 0 -1 -14 8.82 4.02 -1 0 14 17.71 4.11 0 1 14 24.31 4.75 0 -1 -14 28.46 6.09 0 -1 -14 13.85 4.74 1 -1 14 30.82 6.25 -1 1 -14 20.47 5.42 1 0 -14 14.84 5.48 0 -1 -14 11.93 4.34 -1 1 -14 18.95 5.00 -1 1 -14 24.20 5.82 0 -1 -14 24.84 5.75 1 0 -14 10.56 4.30 0 1 14 26.38 5.99 -1 1 -14 26.46 5.68 -1 1 -14 16.61 5.62 0 -1 -14 17.97 4.00 0 -1 -14 25.36 5.64 1 0 -14 20.51 5.99 1 0 -14 17.46 5.75 -1 0 14 22.01 5.29 1 -1 14 22.89 3.07 -1 0 14 12.90 4.69 1 -1 14 20.17 5.20 1 0 -14 8.09 4.10 0 -1 -11 66.18 7.74 1 -1 11 57.22 7.77 1 0 -11 52.94 6.29 0 1 11 66.65 7.76 0 -1 -11 71.32 6.41 0 1 11 64.41 6.58 -1 1 -11 69.16 8.26 1 -1 11 65.42 7.55 1 0 -11 61.91 7.95 -1 0 11 61.31 6.19 -1 1 -11 73.23 8.19 0 -1 -11 63.78 8.02 1 0 -11 62.95 8.09 0 -1 -11 64.94 7.79 -1 1 -11 66.57 6.01 -1 0 11 58.19 7.47 0 -1 -11 67.07 8.13 -1 0 11 50.03 5.98 1 0 -11 66.82 8.04 0 -1 -11 63.11 8.02 1 -1 11 69.11 7.78 -1 1 -11 65.68 8.04 -1 1 -11 73.97 8.08 1 -1 11 58.84 4.51 1 0 -11 68.68 8.31 0 -1 -11 64.55 4.76 1 0 -11 58.48 7.04 -1 1 -11 63.26 7.69 -1 0 8 25.33 3.95 1 0 -8 24.29 4.69 1 -1 8 32.98 3.76 1 -1 8 30.96 5.27 -1 0 8 29.01 5.30 1 -1 8 27.59 4.98 1 0 -8 29.29 5.04 1 0 -8 20.11 3.97 0 -1 -8 34.28 2.64 -1 1 -8 27.57 5.01 -1 1 -8 29.62 3.81 0 -1 -8 38.22 5.76 0 1 8 37.40 4.49 -1 1 -8 32.67 5.28 1 0 -8 25.43 2.38 -1 0 8 29.12 4.11 -1 1 -8 44.48 6.15 0 -1 -8 28.51 4.75 1 0 -8 18.56 2.06 0 -1 -8 35.23 3.13 1 0 -8 29.26 4.15 0 -1 -8 35.89 5.40 0 -1 -8 38.95 5.63 -1 0 8 25.79 4.14 1 -1 8 20.97 2.33 1 0 -8 29.67 5.19 0 -1 -8 38.30 5.61 1 -1 8 32.28 5.05 1 0 -8 33.72 4.21 -1 0 8 21.06 2.29 1 0 -8 29.55 4.97 0 -1 -8 32.43 5.10 -1 0 8 32.15 5.23 -1 1 -8 23.33 2.13 -1 1 -8 30.45 5.19 0 1 8 36.35 5.28 1 0 -8 24.37 4.27 -1 1 -8 34.09 5.39 1 -1 8 27.75 3.02 1 0 -5 29.24 3.84 1 -1 5 26.90 3.92 0 1 5 29.14 4.13 -1 1 -5 34.85 4.16 -1 0 5 24.04 2.61 1 0 -5 26.33 2.98 0 -1 -5 28.86 4.23 1 -1 5 28.90 3.95 1 0 -5 27.03 3.83 0 -1 -5 31.54 4.32 0 1 5 29.88 4.18 1 0 -5 27.01 3.83 -1 0 5 28.72 4.09 -1 0 5 31.77 4.02 0 -1 -5 32.15 3.91 -1 0 5 29.30 3.77 -1 1 -5 29.25 2.56 0 -1 -5 32.92 4.46 -1 1 -5 29.04 4.13 0 1 5 37.50 4.79 -1 0 5 31.56 3.99 1 0 -5 31.07 3.60 1 0 -5 35.86 4.65 0 -1 -5 32.72 4.43 -1 0 5 25.56 4.37 0 -1 -5 27.14 4.34 1 0 -5 29.65 2.84 1 -1 5 35.87 4.16 0 1 5 30.41 4.05 -1 1 -5 26.93 3.76 -1 0 5 31.97 3.97 1 -1 5 20.86 3.71 1 -1 5 31.16 4.25 0 -1 -5 28.94 3.93 1 -1 5 28.74 3.19 -1 0 5 30.25 3.96 -1 0 5 28.01 3.52 1 -1 5 25.46 2.55 -1 1 -5 30.06 4.27 1 0 -5 26.77 4.12 -1 1 -5 29.20 3.15 1 0 -5 23.10 3.43 1 0 -5 26.01 2.50 1 -1 5 35.16 4.41 -1 1 -5 30.69 3.89 1 -1 5 30.15 4.12 -1 0 5 29.76 3.08 -1 1 -5 26.32 3.76 -1 1 -5 29.46 4.54 -1 1 -5 31.17 4.28 0 1 5 30.81 4.56 0 1 5 33.78 4.61 -1 0 5 28.51 3.32 0 -1 -5 27.83 4.04 1 0 -5 32.11 3.50 0 1 5 36.65 3.73 0 1 5 34.22 4.46 1 0 -5 23.20 3.78 1 0 -2 16.23 2.09 0 -1 -2 13.91 2.51 1 0 -2 16.20 2.04 0 1 2 11.58 2.33 -1 0 2 14.52 2.07 -1 1 -2 13.47 1.84 1 0 -2 18.18 2.30 1 0 -2 18.83 2.40 -1 1 -2 18.08 2.23 -1 0 2 18.85 2.27 1 0 -2 18.66 2.22 0 -1 -2 14.87 2.63 -1 1 -2 12.49 2.13 1 0 -2 13.16 2.00 1 -1 2 16.12 2.13 0 1 2 13.73 1.97 -1 0 2 15.59 1.87 -1 1 -2 16.16 2.67 -1 1 -2 16.91 2.67 1 -1 2 10.08 2.11 0 1 2 15.19 2.47 -1 0 2 11.13 2.21 1 0 -2 16.73 2.25 1 -1 2 13.67 2.18 1 -1 2 14.51 2.46 0 -1 -2 14.60 2.56 0 1 2 13.56 2.32 0 -1 -2 11.19 2.10 -1 0 2 13.70 1.72 0 1 2 14.78 2.54 0 -1 -2 13.02 2.19 0 -1 -2 17.70 2.70 1 -1 2 17.79 2.22 1 0 -2 15.04 2.46 -1 1 -2 14.69 2.10 1 0 -2 15.91 1.99 0 1 2 16.29 2.73 0 -1 -2 12.68 2.39 1 0 -2 11.52 2.49 1 -1 2 11.80 2.34 1 0 -2 24.58 2.30 -1 0 2 15.29 2.42 1 -1 2 12.86 1.84 -1 0 2 16.94 2.16 1 -1 2 16.80 2.22 -1 1 -2 16.52 2.20 0 1 2 16.46 2.64 -1 0 2 16.12 2.29 1 0 -2 17.23 2.24 0 1 2 14.89 2.47 -1 0 2 11.85 1.95 -1 1 -2 17.66 2.19 -1 0 2 14.22 2.02 0 -1 -2 13.18 2.02 0 1 -1 291.17 14.10 1 0 1 369.93 13.65 -1 0 -1 357.81 13.93 -1 1 1 359.16 13.95 0 -1 1 317.45 15.08 0 -1 1 293.05 14.82 -1 0 -1 415.27 14.72 0 1 -1 322.09 14.81 -1 1 1 311.18 14.26 -1 0 -1 310.11 12.97 -1 1 1 308.14 14.63 1 -1 -1 367.56 14.00 1 -1 -1 314.69 14.06 1 0 1 356.15 14.59 0 1 -1 290.22 14.80 0 -1 1 323.62 14.94 1 0 1 383.39 13.09 0 1 -1 292.13 14.22 0 -1 1 305.71 14.20 0 1 -1 278.90 14.03 0 -1 1 308.44 14.25 1 0 1 338.00 14.29 1 -1 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54.44 3.44 1 -1 -10 73.68 8.00 0 -1 10 66.53 7.09 -1 0 -10 77.15 7.89 0 1 -10 71.70 5.83 1 0 10 76.25 7.58 1 -1 -10 68.61 8.19 0 -1 10 72.87 8.30 1 0 10 73.51 7.37 1 0 10 48.52 3.21 -1 0 -10 71.05 8.02 1 -1 -10 74.73 8.31 0 1 -10 67.71 7.87 0 1 -10 64.79 7.79 -1 1 10 63.13 5.74 -1 0 -10 72.00 7.90 0 -1 10 69.55 6.14 0 1 -10 59.76 6.48 1 -1 -10 65.47 6.88 0 1 -10 64.77 7.76 -1 0 -10 70.88 7.58 -1 1 10 64.16 7.56 -1 0 -10 73.63 7.84 -1 0 -10 66.82 5.00 0 1 -10 76.91 8.35 1 -1 -10 62.88 7.50 0 1 -13 183.29 13.46 -1 0 -13 198.80 15.38 0 -1 13 167.41 13.47 -1 1 13 182.91 15.46 -1 0 -13 186.05 15.08 -1 0 -13 195.38 15.67 0 -1 13 160.05 14.84 1 -1 -13 194.99 15.83 0 1 -13 162.92 14.78 1 0 13 192.68 14.49 1 -1 -13 184.59 14.62 0 -1 13 167.09 11.61 -1 0 -13 186.62 14.90 -1 0 -13 196.62 15.48 1 -1 -13 182.60 15.36 1 -1 -13 171.61 13.34 0 1 -13 187.55 15.59 0 1 -13 172.11 15.14 0 1 -13 182.27 15.51 0 1 -13 173.48 13.79 1 -1 -13 191.11 15.72 0 -1 13 172.18 14.86 -1 0 -13 200.62 11.43 -1 0 -13 204.65 15.99 1 -1 -13 196.80 15.97 1 0 13 213.75 15.42 -1 1 13 194.64 12.95 -1 0 -16 24.94 6.17 0 1 -16 26.76 6.66 1 -1 -16 26.20 6.57 -1 0 -16 34.18 7.24 -1 0 -16 27.59 6.74 1 -1 -16 30.05 7.52 0 -1 16 30.14 6.69 1 -1 -16 37.41 7.29 -1 1 16 26.29 5.33 0 1 -16 27.26 5.54 -1 0 -16 25.53 6.12 1 0 16 33.46 6.75 0 1 -16 26.25 5.98 -1 0 -16 38.60 7.53 1 0 16 23.59 5.94 0 1 -16 30.65 7.89 -1 1 16 32.91 7.36 0 1 -16 29.84 6.86 1 -1 -16 30.27 6.76 1 -1 -16 28.24 5.82 1 -1 -16 33.02 7.08 -1 0 -16 34.55 4.84 0 -1 16 23.43 5.67 0 1 -16 31.79 7.14 -1 0 -16 29.67 6.62 1 -1 -16 27.59 6.59 0 1 -19 44.45 9.32 -1 0 -19 33.66 8.07 1 0 19 61.67 10.08 -1 0 -19 55.55 10.16 1 -1 -19 55.98 10.44 1 -1 -19 55.09 10.30 0 1 -19 43.19 9.33 0 1 -19 51.57 8.72 1 -1 -19 42.72 7.45 0 1 -19 51.91 9.79 1 0 19 52.37 8.58 0 1 -19 41.99 7.10 -1 1 19 53.18 10.27 1 -1 -19 47.02 9.06 1 -1 -19 55.19 10.50 0 -1 19 47.56 9.51 0 -1 19 56.05 8.74 0 1 -19 63.14 10.83 1 -1 -19 67.12 11.51 -1 0 -19 44.73 8.96 -1 0 -19 57.22 9.75 -1 0 -19 49.10 9.78 -1 0 -19 55.65 10.20 0 1 -19 42.78 9.01 1 -1 -19 51.99 9.88 0 -1 22 34.13 7.57 -1 0 -22 22.27 7.28 0 -1 22 16.62 6.60 0 1 -22 26.82 7.19 1 -1 -22 33.37 8.39 1 0 22 18.74 6.36 1 0 22 24.04 6.45 -1 2 0 272.38 15.19 -2 1 0 355.47 14.55 2 -1 0 269.06 13.66 1 1 0 286.13 13.44 1 1 0 245.67 13.32 1 -2 0 285.94 12.99 -1 2 0 256.46 14.48 1 -2 0 266.91 12.66 2 -1 0 243.22 12.43 1 -2 0 268.29 14.57 -2 1 0 309.01 13.66 -1 2 0 274.78 14.67 -1 2 0 253.27 12.42 1 -2 0 258.71 14.41 1 -2 0 268.95 14.62 -1 2 0 270.25 14.70 1 -2 0 267.56 14.18 -1 -1 0 266.62 13.68 2 -1 0 292.08 13.30 -1 2 0 266.70 14.67 2 -1 0 257.11 11.55 2 -1 0 316.97 13.50 -1 -1 0 295.05 14.87 2 -1 0 333.60 14.39 1 -2 0 272.57 14.53 -1 2 0 238.09 12.60 1 1 0 259.76 13.34 -1 -1 0 315.68 13.55 -2 1 0 246.05 11.73 -1 -1 0 315.49 14.03 2 -1 0 308.52 14.55 1 -2 0 258.95 14.51 1 1 0 271.61 13.41 -2 1 0 307.34 13.50 -1 2 0 288.56 12.98 1 -2 0 260.85 14.57 -1 -1 0 263.00 13.52 1 1 0 256.60 13.45 1 -2 0 245.66 12.79 2 -1 0 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