#------------------------------------------------------------------------------ #$Date: 2025-02-27 05:24:54 +0200 (Thu, 27 Feb 2025) $ #$Revision: 297904 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312772.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2312772 loop_ _publ_author_name 'Chalupná, Simona' 'Hušák, Michal' 'Čejka, Jan' 'Fňukal, František' 'Klimeš, Jiří' _publ_section_title ; Computation screening for incorrectly determined cocrystal structures. ; _journal_coeditor_code DK5134 _journal_issue 2 _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_paper_doi 10.1107/S205252062500068X _journal_volume 81 _journal_year 2025 _chemical_formula_moiety 'C29 H26 N2 O10' _chemical_formula_sum 'C29 H26 N2 O10' _chemical_formula_weight 562.537 _chemical_name_systematic ; 1,3-Di-4-pyridylpropane--2-hydroxybenzene-1,4-dicarboxylic acid (1/2) ; _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_Int_Tables_number 15 _cell_angle_alpha 90 _cell_angle_beta 96.542(6) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 22.9392(11) _cell_length_b 4.7809(2) _cell_length_c 24.1632(11) _cell_measurement_reflns_used 1102 _cell_measurement_temperature 291(2) _cell_measurement_theta_max 23.27 _cell_measurement_theta_min 3.39 _cell_volume 2632.7(2) _computing_cell_refinement 'SAINT (Bruker, 1997)' _computing_data_collection 'SMART (Bruker, 1997)' _computing_data_reduction 'SAINT (Bruker, 1997)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine 1.5 (Bourhis et al., 2015)' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _diffrn_ambient_temperature 291(2) _diffrn_measured_fraction_theta_full 0.9979 _diffrn_measured_fraction_theta_max 0.9980 _diffrn_measurement_device_type 'Bruker SMART CCD area-detector' _diffrn_measurement_method '\w & \f scans' _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_unetI/netI 0.0471 _diffrn_reflns_Laue_measured_fraction_full 0.9979 _diffrn_reflns_Laue_measured_fraction_max 0.9980 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 2444 _diffrn_reflns_point_group_measured_fraction_full 0.9979 _diffrn_reflns_point_group_measured_fraction_max 0.9980 _diffrn_reflns_theta_full 25.2417 _diffrn_reflns_theta_max 25.50 _diffrn_reflns_theta_min 2.60 _exptl_absorpt_coefficient_mu 0.108 _exptl_absorpt_correction_T_max 0.9944 _exptl_absorpt_correction_T_min 0.9631 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Bruker, 1997)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.419 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1176.856 _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.3913 _refine_diff_density_min -0.3004 _refine_diff_density_rms 0.0765 _refine_ls_d_res_high 0.8255 _refine_ls_d_res_low 7.8305 _refine_ls_goodness_of_fit_ref 1.0160 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_constraints 1 _refine_ls_number_parameters 237 _refine_ls_number_reflns 2444 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0160 _refine_ls_R_factor_all 0.1035 _refine_ls_R_factor_gt 0.0470 _refine_ls_shift/su_max -0.0002 _refine_ls_shift/su_mean 0.0000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0553P)^2^+0.5334P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1059 _refine_ls_wR_factor_ref 0.1292 _reflns_Friedel_coverage 0.0 _reflns_limit_h_max 27 _reflns_limit_h_min -27 _reflns_limit_k_max 5 _reflns_limit_k_min 0 _reflns_limit_l_max 28 _reflns_limit_l_min 0 _reflns_number_gt 1335 _reflns_number_total 2444 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL I OLEX2: imported from CIF CELL 0.71073 22.9392 4.7809 24.1632 90 96.542 90 ZERR 4 0 0 0 0 0 0 LATT 7 SYMM -X,+Y,0.5-Z SFAC C H N O DISP C 0.0033 0.0016 DISP H 0 0 DISP N 0.0061 0.0033 DISP O 0.0106 0.006 UNIT 116 104 8 40 SIZE 0.35 0.19 0.05 TEMP 18(2) CONF BIND N1 H2 MORE -1 BOND $H ACTA WGHT 0.055326 0.533418 FVAR 0.818257 REM REM REM O1 4 0.38433 1.04743 0.32579 11.00000 0.09935 0.08973 0.06071 = -0.02864 0.03151 -0.03788 H1 2 0.35036 0.97506 0.32262 11.00000 0.06215 O2 4 0.24038 0.81516 0.40196 11.00000 0.05473 0.05493 0.06569 = -0.00409 0.00446 -0.01181 H2 2 0.20599 0.59546 0.37482 11.00000 0.08780 O3 4 0.29118 0.77199 0.32952 11.00000 0.07068 0.06308 0.06267 = -0.01569 0.00735 -0.01779 O4 4 0.43708 1.82637 0.51805 11.00000 0.06084 0.05629 0.06729 = -0.01620 0.01131 -0.01305 H4 2 0.46969 1.94728 0.53266 11.00000 0.11393 O5 4 0.48843 1.77955 0.44646 11.00000 0.05696 0.05664 0.08011 = -0.02169 0.02084 -0.01716 N1 3 0.17636 0.42271 0.35522 11.00000 0.04768 0.04250 0.05416 = 0.00168 -0.00126 -0.00547 C1 1 0.32526 1.09453 0.40082 11.00000 0.04650 0.03402 0.04934 = -0.00480 -0.00187 -0.00364 C2 1 0.37401 1.17164 0.37399 11.00000 0.05348 0.04603 0.05293 = -0.00756 0.00993 -0.01226 C3 1 0.41303 1.37276 0.39782 11.00000 0.05758 0.04662 0.05944 = -0.00900 0.01410 -0.01437 H3 2 0.45238 1.43325 0.37454 11.00000 0.06696 C4 1 0.40354 1.49950 0.44768 11.00000 0.04099 0.03433 0.05432 = -0.00132 0.00158 -0.00190 C5 1 0.35526 1.42664 0.47502 11.00000 0.05502 0.04374 0.05398 = -0.00798 0.00801 -0.00695 H5 2 0.34539 1.52797 0.51491 11.00000 0.07329 C6 1 0.31625 1.22242 0.45120 11.00000 0.05228 0.04517 0.05515 = -0.00384 0.00649 -0.00820 H6 2 0.27956 1.12637 0.47944 11.00000 -1.20000 C7 1 0.28297 0.87781 0.37530 11.00000 0.04669 0.04221 0.05753 = -0.00026 0.00088 -0.00280 C8 1 0.44575 1.71478 0.47178 11.00000 0.04359 0.03290 0.06055 = -0.00570 0.00537 -0.00267 C9 1 0.18307 0.30723 0.30644 11.00000 0.04197 0.05315 0.05722 = 0.00500 0.01013 -0.00986 H9 2 0.21943 0.36127 0.28692 11.00000 0.07554 C10 1 0.14360 0.11086 0.28269 11.00000 0.04955 0.05077 0.04765 = -0.00165 0.00974 -0.00076 H10 2 0.15000 0.01375 0.24684 11.00000 0.08147 C11 1 0.09564 0.03313 0.30953 11.00000 0.04201 0.03673 0.04506 = 0.00155 0.00357 0.00014 C12 1 0.09134 0.15394 0.36132 11.00000 0.04831 0.06215 0.05523 = -0.00477 0.01485 -0.00711 H12 2 0.05713 0.10360 0.38356 11.00000 0.10266 C13 1 0.13214 0.34797 0.38255 11.00000 0.05706 0.05537 0.05274 = -0.01004 0.00703 -0.01116 H13 2 0.13059 0.44174 0.41947 11.00000 0.14154 C14 1 0.04827 -0.15555 0.28230 11.00000 0.04274 0.03983 0.05925 = 0.00104 0.00013 -0.00016 H14A 2 0.03008 -0.26998 0.31533 11.00000 0.10243 H14B 2 0.06720 -0.28310 0.25383 11.00000 0.08645 C15 1 0.00000 0.01918 0.25000 10.50000 0.04660 0.03782 0.05954 = 0.00000 0.00146 -0.00000 H15A 2 -0.01965 0.13303 0.27842 11.00000 0.08285 HKLF 4 END Q2 1 0.125 0.233333 0.333333 11 0.05 0.31 Q3 1 0.35 0.833333 0.308642 11 0.05 0.3 Q1 1 0.2875 1.133333 0.481481 11 0.05 0.39 Q4 1 0.3625 1.533333 0.432099 11 0.05 0.28 Q5 1 0.2375 0.866667 0.425926 11 0.05 0.27 REM The information below was added by Olex2. REM REM R1 = 0.0470 for 1335 Fo > 4sig(Fo) and 0.1035 for all 2444 data REM 237 parameters refined using 0 restraints REM Highest difference peak 0.3913, deepest hole -0.3004 REM Mean Shift 0.0000, Max Shift -0.0002. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.1035 REM R1_gt = 0.0470 REM wR_ref = 0.1292 REM GOOF = 1.0160 REM Shift_max = -0.0002 REM Shift_mean = 0.0000 REM Reflections_all = 2444 REM Reflections_gt = 1335 REM Parameters = 237 REM Hole = -0.3004 REM Peak = 0.3913 REM Flack = n/a ; _cod_data_source_file dk5134.cif _cod_data_source_block OGEPIA _cod_original_cell_volume 2632.723604(2) _cod_database_code 2312772 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups ; _olex2_refine_details ; Refinement using NoSpherA2, an implementation of NOn-SPHERical Atom-form-factors in Olex2. Please cite: F. Kleemiss et al. Chem. Sci. DOI 10.1039/D0SC05526C - 2021 NoSpherA2 implementation of HAR makes use of tailor-made aspherical atomic form factors calculated on-the-fly from a Hirshfeld-partitioned electron density (ED) - not from spherical-atom form factors. The ED is calculated from a gaussian basis set single determinant SCF wavefunction - either Hartree-Fock or DFT using selected funtionals - for a fragment of the crystal. This fragment can be embedded in an electrostatic crystal field by employing cluster charges or modelled using implicit solvation models, depending on the software used. The following options were used: SOFTWARE: ORCA 5.0 PARTITIONING: NoSpherA2 INT ACCURACY: Low METHOD: R2SCAN BASIS SET: def2-TZVP CHARGE: 0 MULTIPLICITY: 1 DATE: 2024-02-07_12-33-23 ; _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,y,-z+1/2 3 -x,-y,-z 4 x,-y,z-1/2 5 x+1/2,y+1/2,z 6 -x+1/2,y+1/2,-z+1/2 7 -x+1/2,-y+1/2,-z 8 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_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy O1 O 0.38433(11) 1.0474(5) 0.32579(8) 0.0815(8) Uani 1.000000 1 . . . H1 H 0.3504(13) 0.975(6) 0.3226(12) 0.062(10) Uiso 1.000000 1 . . . O2 O 0.24038(7) 0.8152(4) 0.40196(7) 0.0586(5) Uani 1.000000 1 . . . H2 H 0.2060(15) 0.595(8) 0.3748(14) 0.088(12) Uiso 1.000000 1 . . . O3 O 0.29118(8) 0.7720(4) 0.32952(8) 0.0655(6) Uani 1.000000 1 . . . O4 O 0.43708(8) 1.8264(4) 0.51805(8) 0.0612(6) Uani 1.000000 1 . . . H4 H 0.4697(18) 1.947(10) 0.5327(18) 0.114(18) Uiso 1.000000 1 . . . O5 O 0.48843(7) 1.7795(4) 0.44646(8) 0.0636(6) Uani 1.000000 1 . . . N1 N 0.17636(9) 0.4227(4) 0.35522(9) 0.0487(6) Uani 1.000000 1 . . . C1 C 0.32526(10) 1.0945(5) 0.40082(10) 0.0439(6) Uani 1.000000 1 . . . C2 C 0.37401(11) 1.1716(5) 0.37399(11) 0.0505(7) Uani 1.000000 1 . . . C3 C 0.41303(12) 1.3728(5) 0.39782(11) 0.0540(7) Uani 1.000000 1 . . . H3 H 0.4524(11) 1.433(5) 0.3745(9) 0.067(7) Uiso 1.000000 1 . . . C4 C 0.40354(10) 1.4995(5) 0.44768(10) 0.0435(6) Uani 1.000000 1 . . . C5 C 0.35526(11) 1.4266(5) 0.47502(11) 0.0508(7) Uani 1.000000 1 . . . H5 H 0.3454(10) 1.528(5) 0.5149(10) 0.073(8) Uiso 1.000000 1 . . . C6 C 0.31625(11) 1.2224(5) 0.45120(11) 0.0508(7) Uani 1.000000 1 . . . H6 H 0.2796(10) 1.126(5) 0.4794(9) 0.0610(8) Uiso 1.000000 1 R . . C7 C 0.28297(11) 0.8778(5) 0.37530(12) 0.0492(7) Uani 1.000000 1 . . . C8 C 0.44575(11) 1.7148(5) 0.47178(11) 0.0457(6) Uani 1.000000 1 . . . C9 C 0.18307(11) 0.3072(6) 0.30644(12) 0.0504(7) Uani 1.000000 1 . . . H9 H 0.2194(11) 0.361(5) 0.2869(10) 0.076(8) Uiso 1.000000 1 . . . C10 C 0.14360(11) 0.1109(5) 0.28269(11) 0.0490(7) Uani 1.000000 1 . . . H10 H 0.1500(10) 0.014(5) 0.2468(10) 0.081(8) Uiso 1.000000 1 . . . C11 C 0.09564(10) 0.0331(5) 0.30953(10) 0.0414(6) Uani 1.000000 1 . . . C12 C 0.09134(12) 0.1539(6) 0.36132(11) 0.0545(7) Uani 1.000000 1 . . . H12 H 0.0571(13) 0.104(6) 0.3836(12) 0.103(10) Uiso 1.000000 1 . . . C13 C 0.13214(12) 0.3480(6) 0.38255(12) 0.0550(7) Uani 1.000000 1 . . . H13 H 0.1306(15) 0.442(8) 0.4195(14) 0.142(14) Uiso 1.000000 1 . . . C14 C 0.04827(11) -0.1555(5) 0.28230(12) 0.0477(7) Uani 1.000000 1 . . . H14A H 0.0301(12) -0.270(7) 0.3153(12) 0.102(10) Uiso 1.000000 1 . . . H14B H 0.0672(11) -0.283(6) 0.2538(11) 0.086(9) Uiso 1.000000 1 . . . C15 C 0.0 0.0192(7) 0.25 0.0483(9) Uani 1.000000 2 S T P H15A H -0.0197(10) 0.133(6) 0.2784(10) 0.083(8) Uiso 1.000000 1 . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1 0.0994(19) 0.0897(17) 0.0607(14) -0.0379(14) 0.0315(13) -0.0286(11) O2 0.0547(11) 0.0549(12) 0.0657(12) -0.0118(9) 0.0045(10) -0.0041(10) O3 0.0707(13) 0.0631(13) 0.0627(13) -0.0178(10) 0.0073(10) -0.0157(10) O4 0.0608(13) 0.0563(12) 0.0673(13) -0.0130(10) 0.0113(10) -0.0162(11) O5 0.0570(12) 0.0566(12) 0.0801(13) -0.0172(10) 0.0208(10) -0.0217(10) N1 0.0477(13) 0.0425(13) 0.0542(15) -0.0055(11) -0.0013(12) 0.0017(11) C1 0.0465(15) 0.0340(14) 0.0493(16) -0.0036(11) -0.0019(12) -0.0048(12) C2 0.0535(16) 0.0460(15) 0.0529(17) -0.0123(13) 0.0099(13) -0.0076(14) C3 0.0576(17) 0.0466(16) 0.0594(18) -0.0144(13) 0.0141(14) -0.0090(14) C4 0.0410(15) 0.0343(14) 0.0543(16) -0.0019(11) 0.0016(12) -0.0013(13) C5 0.0550(17) 0.0437(15) 0.0540(17) -0.0069(13) 0.0080(14) -0.0080(13) C6 0.0523(16) 0.0452(16) 0.0551(17) -0.0082(13) 0.0065(13) -0.0038(14) C7 0.0467(16) 0.0422(16) 0.0575(18) -0.0028(12) 0.0009(14) -0.0003(14) C8 0.0436(15) 0.0329(14) 0.0605(18) -0.0027(12) 0.0054(13) -0.0057(13) C9 0.0420(16) 0.0532(17) 0.0572(18) -0.0099(14) 0.0101(14) 0.0050(14) C10 0.0496(17) 0.0508(16) 0.0476(17) -0.0008(13) 0.0097(14) -0.0017(14) C11 0.0420(15) 0.0367(14) 0.0451(15) 0.0001(11) 0.0036(12) 0.0015(12) C12 0.0483(17) 0.0622(18) 0.0552(18) -0.0071(14) 0.0148(14) -0.0048(15) C13 0.0571(17) 0.0554(17) 0.0527(18) -0.0112(14) 0.0070(15) -0.0100(15) C14 0.0427(15) 0.0398(15) 0.0592(18) -0.0002(12) 0.0001(13) 0.0010(14) C15 0.047(2) 0.038(2) 0.060(3) -0.000000 0.001(2) 0.000000 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_dispersion_source C 0.00330 0.00160 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' H 0.00000 0.00000 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' N 0.00610 0.00330 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' O 0.01060 0.00600 'NoSpherA2: Chem.Sci. 2021, DOI:10.1039/D0SC05526C' 'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 4 0 0 12009.73 221.42 6 0 0 53.67 6.8 8 0 0 354.99 18.47 10 0 0 764.8 22.37 12 0 0 210.91 13.36 14 0 0 5.73 8.06 16 0 0 572.78 33.3 18 0 0 54.53 25.12 20 0 0 63.7 22.2 22 0 0 1574.48 63.55 24 0 0 48.56 23.17 26 0 0 628.52 94.15 1 1 0 2219.33 28.13 3 1 0 8344.01 92.89 5 1 0 10514.5 176.56 7 1 0 32.66 6.15 9 1 0 208.2 12.5 11 1 0 61.98 8.62 13 1 0 2221.26 39.9 15 1 0 324.19 16.13 17 1 0 1978.08 40.61 19 1 0 252.6 19.94 21 1 0 2077.7 51.21 23 1 0 35.9 15.38 25 1 0 13.57 16.43 27 1 0 39.94 23.44 0 2 0 4062.01 73.43 2 2 0 106.64 7.29 4 2 0 12214.45 138.17 6 2 0 20.58 6.42 8 2 0 1391.69 29.75 10 2 0 650.43 28.94 12 2 0 553.08 19.61 14 2 0 205.24 16.71 16 2 0 1312.58 33.16 18 2 0 24.58 11.79 20 2 0 53.99 14.86 22 2 0 2.31 18.54 24 2 0 21.05 18.57 1 3 0 954.82 21.79 3 3 0 840.77 20.35 5 3 0 316.54 13.6 7 3 0 117.66 10.08 9 3 0 294.75 16.34 11 3 0 230.89 17.68 13 3 0 -6.85 10.21 15 3 0 289.94 21.85 17 3 0 -14.37 12.64 19 3 0 -4.31 13.21 21 3 0 96.58 19.59 23 3 0 1.3 24.34 0 4 0 47.58 21.68 2 4 0 182.08 13.6 4 4 0 300.57 18.51 6 4 0 2.43 13.5 8 4 0 25.24 12.59 10 4 0 515.16 26.54 12 4 0 71.11 18.77 14 4 0 46.73 18.82 16 4 0 48.57 25.42 18 4 0 8.04 29.81 1 5 0 -6.36 25.03 3 5 0 25.21 20.93 5 5 0 7.65 21.45 7 5 0 83.87 21.03 9 5 0 -13.6 17.47 11 5 0 37.05 20.34 13 5 0 8.64 19.46 -27 1 1 23.94 28.9 -25 1 1 218.65 28.47 -23 1 1 42.8 16.92 -21 1 1 1233.66 38.71 -19 1 1 102.62 15.51 -17 1 1 264.66 16.43 -15 1 1 23.3 8.73 -13 1 1 1258.73 27.8 -11 1 1 1557.82 30.11 -9 1 1 9.27 5.91 -7 1 1 386.59 12.6 -5 1 1 12294.64 147.55 -3 1 1 610.56 11.59 -1 1 1 3048.05 36.9 1 1 1 125.21 5.55 3 1 1 10659.79 163.39 5 1 1 57797.25 665.06 7 1 1 111.2 9.44 9 1 1 3873.09 55.71 11 1 1 205.33 11.48 13 1 1 353.11 15.61 15 1 1 508.79 19.76 17 1 1 711.4 26.57 19 1 1 435.73 36.37 21 1 1 1000.64 35.39 23 1 1 26.73 21.52 25 1 1 70.35 19.35 27 1 1 52.89 23.47 -26 2 1 5.77 20.75 -24 2 1 -15.84 16.8 -22 2 1 -16.1 14.19 -20 2 1 142.06 18.7 -18 2 1 900.82 57.74 -16 2 1 1083.38 30.04 -14 2 1 658.62 27.72 -12 2 1 69.34 9.97 -10 2 1 2.44 10.3 -8 2 1 4.52 5.58 -6 2 1 304.73 16.24 -4 2 1 36.97 7.9 -2 2 1 1232.02 24.07 0 2 1 578.75 13.9 2 2 1 1093.38 19.85 4 2 1 16253.2 180.23 6 2 1 66.85 6.79 8 2 1 3561.65 54.21 10 2 1 150.92 11.58 12 2 1 356.9 16.49 14 2 1 256.38 15.73 16 2 1 977.93 29.01 18 2 1 327.82 33.76 20 2 1 23.02 15.38 22 2 1 79.15 20.7 24 2 1 12.49 18.34 -23 3 1 31.45 27.38 -21 3 1 113.05 19.98 -19 3 1 -4.24 17.45 -17 3 1 1.22 14.99 -15 3 1 6.57 15.65 -13 3 1 247.49 19.42 -11 3 1 66.97 13.15 -9 3 1 56.18 10.58 -7 3 1 281.61 13.05 -5 3 1 77.77 10.64 -3 3 1 525.39 16.34 -1 3 1 1479.15 38.51 1 3 1 1514.96 28.29 3 3 1 1285.13 25.86 5 3 1 26.47 7.74 7 3 1 11.08 7.96 9 3 1 234.65 14.89 11 3 1 39.37 10.31 13 3 1 14.12 10.72 15 3 1 18.85 12.28 17 3 1 16.91 14.01 19 3 1 -18.01 13.32 21 3 1 13.63 18.22 23 3 1 -4.8 22.95 -20 4 1 51.17 24.07 -18 4 1 30.28 19.44 -16 4 1 8.13 23.93 -14 4 1 88.56 20.13 -12 4 1 129.71 18.33 -10 4 1 152.34 17.98 -8 4 1 62.39 14.38 -6 4 1 164.33 16.92 -4 4 1 -2.09 14.24 -2 4 1 23.02 10.42 0 4 1 562.54 20.19 2 4 1 80.18 11.86 4 4 1 142.94 13.8 6 4 1 54.25 13.92 8 4 1 7.16 19.95 10 4 1 82.61 18.63 12 4 1 101.76 20.03 14 4 1 0.2 15.52 16 4 1 -23.62 20 18 4 1 -2.97 19.62 -13 5 1 -24.64 16.43 -11 5 1 28.35 18.27 -9 5 1 -2.13 16.55 -7 5 1 3.77 18.12 -5 5 1 13.91 16.46 -3 5 1 31.01 43.6 -1 5 1 165.65 47.48 1 5 1 -1.33 26.55 3 5 1 161.8 39.42 5 5 1 -18.42 24.27 7 5 1 95.41 21.85 9 5 1 18.46 18.93 11 5 1 56.62 30.56 13 5 1 -23.73 18.51 -26 0 2 23.22 64.8 -24 0 2 51.81 24.49 -22 0 2 379.92 35.82 -20 0 2 795.54 64.14 -18 0 2 38.86 17.58 -16 0 2 1587.79 53.78 -14 0 2 4.28 8.6 -12 0 2 3637.86 68.96 -10 0 2 107.49 9.87 -8 0 2 3402.91 60.82 -6 0 2 120.38 8.35 -4 0 2 76.72 9.82 2 0 2 10.27 5.24 4 0 2 3249.22 102.36 6 0 2 1636.66 32.94 8 0 2 230.47 12.52 10 0 2 5869.11 100.67 12 0 2 84.96 11.17 14 0 2 491.84 37.49 16 0 2 8.93 14.35 18 0 2 152.56 44.21 20 0 2 1033.61 82.97 22 0 2 35.62 21.09 24 0 2 216.25 33.07 26 0 2 32.73 26.38 -27 1 2 24.4 21.66 -25 1 2 36.98 20.32 -23 1 2 4.68 14.7 -21 1 2 15.21 13.66 -19 1 2 92.03 15.23 -17 1 2 57.95 11.88 -15 1 2 226.65 14.39 -13 1 2 51.81 8.85 -11 1 2 521.69 16.41 -9 1 2 5.11 5.42 -7 1 2 1894.59 27.08 -5 1 2 2203.41 29.59 -3 1 2 2991.1 41.23 -1 1 2 6351.74 79.03 1 1 2 437.57 9.36 3 1 2 4914.82 64.54 5 1 2 132.07 7.92 7 1 2 1648.3 28.3 9 1 2 1022.18 22.15 11 1 2 394.39 15.02 13 1 2 189.53 15.21 15 1 2 119.95 12.62 17 1 2 223.06 15.89 19 1 2 26.12 12.53 21 1 2 18.47 14.33 23 1 2 26.26 16.26 25 1 2 11.15 17.53 -26 2 2 -26.14 19.1 -24 2 2 11.36 18.99 -22 2 2 9 25.4 -20 2 2 109.03 24.85 -18 2 2 204.91 19.47 -16 2 2 1596.03 67.63 -14 2 2 12.7 12.98 -12 2 2 606.33 19.86 -10 2 2 11.71 7.06 -8 2 2 468.5 13.67 -6 2 2 1305.14 23.61 -4 2 2 10.64 5.02 -2 2 2 2227.75 32.38 0 2 2 2736.38 37.83 2 2 2 3078.27 41.61 4 2 2 3001.57 41.21 6 2 2 876.56 18.48 8 2 2 16.45 5.85 10 2 2 28.64 8.27 12 2 2 50.47 10.24 14 2 2 96.62 12.42 16 2 2 51.31 12.38 18 2 2 136.73 25.3 20 2 2 28.23 13.18 22 2 2 57.72 19.51 24 2 2 26.47 25.2 -23 3 2 3.53 16.71 -21 3 2 17.93 15.74 -19 3 2 24.01 14.95 -17 3 2 54.86 15.02 -15 3 2 23.56 13.18 -13 3 2 -3.44 16.85 -11 3 2 35.06 11.71 -9 3 2 6.06 9.51 -7 3 2 35.82 8.17 -5 3 2 9.03 8.22 -3 3 2 435.88 15.35 -1 3 2 3234.75 56.75 1 3 2 0.97 8.77 3 3 2 735.55 19.2 5 3 2 1128.45 24.34 7 3 2 52.29 8.79 9 3 2 653.13 21.86 11 3 2 122.12 19.62 13 3 2 37.6 11.01 15 3 2 13.47 12.47 17 3 2 5.71 27.97 19 3 2 -24.19 18.87 21 3 2 19.33 36.64 23 3 2 -7.48 24.01 -20 4 2 33.68 23.97 -18 4 2 -15.29 16.41 -16 4 2 9.58 14.92 -14 4 2 77.32 16.39 -12 4 2 4.71 12.86 -10 4 2 44.78 15.29 -8 4 2 -6.95 11.19 -6 4 2 20.8 12.31 -4 4 2 -4.92 10.06 -2 4 2 315.26 18.64 0 4 2 110.94 13.94 2 4 2 -0.89 8.91 4 4 2 5.85 9.03 6 4 2 30.11 22.14 8 4 2 41.23 15.82 10 4 2 117 20.51 12 4 2 67.08 19.44 14 4 2 -14.58 17.36 16 4 2 -1.66 17.34 18 4 2 -12.22 18.07 -13 5 2 35.43 21.02 -11 5 2 29.07 18.6 -9 5 2 9.82 17.63 -7 5 2 43.3 37.3 -5 5 2 21.64 23.17 -3 5 2 73.75 18.28 -1 5 2 6.62 17.2 1 5 2 -7.9 17.16 3 5 2 11.65 29.81 5 5 2 -30.44 20.29 7 5 2 226.18 32.31 9 5 2 26.83 24.95 11 5 2 -35.65 24.85 13 5 2 2.15 32.79 -27 1 3 18.96 21.47 -25 1 3 63.54 21.26 -23 1 3 45.37 17.72 -21 1 3 35.52 14.66 -19 1 3 122.24 16.31 -17 1 3 721.39 23.75 -15 1 3 1198.77 42.68 -13 1 3 421.03 20.13 -11 1 3 192.86 8.8 -9 1 3 161.45 8.04 -7 1 3 307.15 9.48 -5 1 3 293.28 13.72 -3 1 3 2203.18 32.25 -1 1 3 82.48 6.71 1 1 3 1736.14 29.38 3 1 3 67361.53 710.2 5 1 3 373.6 10.16 7 1 3 398.97 13.21 9 1 3 177.6 10.21 11 1 3 1563.92 30.55 13 1 3 43.61 9.43 15 1 3 55.25 10.67 17 1 3 170.89 15.05 19 1 3 1242.9 37.47 21 1 3 95.29 28.36 23 1 3 380.99 26.89 25 1 3 3.8 16.55 -26 2 3 -13.47 18.75 -24 2 3 -5.31 19.01 -22 2 3 9.92 16.22 -20 2 3 -19.11 12.74 -18 2 3 2223.69 63.14 -16 2 3 -3.79 10.75 -14 2 3 2273.13 43.25 -12 2 3 132.78 11.47 -10 2 3 4.01 5.76 -8 2 3 84.5 10.33 -6 2 3 17.65 5.34 -4 2 3 200.98 9.28 -2 2 3 4046.48 51.85 0 2 3 1580.99 25.22 2 2 3 488.31 12.86 4 2 3 52.55 7.68 6 2 3 480 14.36 8 2 3 11571.22 133.36 10 2 3 37.27 9.17 12 2 3 51.52 10.05 14 2 3 5.48 9.18 16 2 3 576.81 25.82 18 2 3 174.55 19.3 20 2 3 15.2 13.47 22 2 3 4.45 14.53 24 2 3 26.52 25.51 -23 3 3 28.67 18.6 -21 3 3 3.58 15.56 -19 3 3 26.62 15.05 -17 3 3 23.25 19.87 -15 3 3 26.2 12.5 -13 3 3 987.07 33.27 -11 3 3 295.57 19.75 -9 3 3 462.54 21.84 -7 3 3 183.73 13.88 -5 3 3 701.51 19.58 -3 3 3 161.14 11.83 -1 3 3 3366.8 52.87 1 3 3 25.3 7.44 3 3 3 197.49 15.05 5 3 3 248.12 12.67 7 3 3 721.63 19.75 9 3 3 451.57 24.76 11 3 3 1.72 9.44 13 3 3 7.5 9.92 15 3 3 72.64 17.18 17 3 3 25.53 22.63 19 3 3 20.63 25.77 21 3 3 87.61 34.89 23 3 3 12.91 25.29 -20 4 3 -6.39 21.54 -18 4 3 72.68 18.71 -16 4 3 10.08 17.75 -14 4 3 -1.97 13.09 -12 4 3 74.42 16.15 -10 4 3 37.57 17.83 -8 4 3 251.68 20.34 -6 4 3 5.76 9.9 -4 4 3 0.94 10.12 -2 4 3 35.13 12.16 0 4 3 246.36 16.58 2 4 3 128.28 13.94 4 4 3 946.55 28.38 6 4 3 13.18 12.58 8 4 3 78.88 17.92 10 4 3 -0.43 16.34 12 4 3 57.63 21.47 14 4 3 4.61 27.24 16 4 3 -2.48 21.02 18 4 3 9.36 20.45 -13 5 3 -8.39 18.51 -11 5 3 7.95 17.75 -9 5 3 -11.29 71.79 -7 5 3 18.51 18.3 -5 5 3 36.74 25.54 -3 5 3 39.82 16.94 -1 5 3 1.93 15.08 1 5 3 4.49 22.61 3 5 3 16.3 23.21 5 5 3 34.59 25.9 7 5 3 18.96 21.13 9 5 3 16.27 22.17 11 5 3 13.87 19.38 13 5 3 74.26 29.54 -26 0 4 29.61 26.93 -24 0 4 138.47 29.6 -22 0 4 145.2 27.47 -20 0 4 51.86 33.93 -18 0 4 68.17 18.88 -16 0 4 78.11 16.91 -14 0 4 6175.42 109.54 -12 0 4 3231.1 62.89 -10 0 4 21285.63 330.1 -8 0 4 164.38 14.7 -6 0 4 7364.8 117.86 -4 0 4 4132.25 68.2 -2 0 4 99999 1493.84 0 0 4 7118.31 201.99 2 0 4 344.66 11.24 4 0 4 1047.61 23.15 6 0 4 378.65 14.54 8 0 4 8294.98 162.69 10 0 4 200.42 23.03 12 0 4 3962.65 75.19 14 0 4 2.3 9.46 16 0 4 302.32 26.5 18 0 4 253.91 27.6 20 0 4 3042.79 90.79 22 0 4 386.15 36.93 26 0 4 228.8 37.56 -27 1 4 54.19 23.23 -25 1 4 -0.15 18.84 -23 1 4 477.56 33.22 -21 1 4 54.36 16.04 -19 1 4 378.58 40.54 -17 1 4 69.3 11.74 -15 1 4 616.15 20.38 -13 1 4 506.05 17.59 -11 1 4 -7.02 4.91 -9 1 4 0.53 4.62 -7 1 4 42.36 5.34 -5 1 4 1530.4 31.05 -3 1 4 1964.72 34.07 -1 1 4 15239.89 205.67 1 1 4 293.91 15.12 3 1 4 62069.26 721.66 5 1 4 2310.99 31.52 7 1 4 26591.23 313.56 9 1 4 3.47 5.5 11 1 4 985.39 23.26 13 1 4 21.23 8.12 15 1 4 111.47 16.58 17 1 4 631.39 23.2 19 1 4 749.13 29.72 21 1 4 68.55 16.13 23 1 4 14.47 15.36 25 1 4 145.77 35.15 -26 2 4 -0.37 19.78 -24 2 4 10.39 20.22 -22 2 4 -11.85 18.53 -20 2 4 -18.7 12.46 -18 2 4 2130.64 58.29 -16 2 4 56.66 13.78 -14 2 4 1144.47 33.84 -12 2 4 269.55 14.26 -10 2 4 10.65 8.01 -8 2 4 188.84 10.63 -6 2 4 469.13 13 -4 2 4 166.52 8.29 -2 2 4 513.48 13.31 0 2 4 4.37 4.66 2 2 4 1854.6 28.56 4 2 4 18.94 5.48 6 2 4 48.78 6.84 8 2 4 10602.11 123.62 10 2 4 118.95 12.44 12 2 4 289.63 15.49 14 2 4 11.32 9.16 16 2 4 241.68 25.42 18 2 4 27.88 12.2 20 2 4 85.25 15.98 22 2 4 -3.05 15.86 24 2 4 18.82 34.79 -23 3 4 -11.77 16.28 -21 3 4 13.88 19.88 -19 3 4 15.71 15.19 -17 3 4 12.64 13.19 -15 3 4 216.79 20.1 -13 3 4 3628.21 71.92 -11 3 4 2517.23 54.57 -9 3 4 36.64 11.27 -7 3 4 1600.87 35.17 -5 3 4 497.85 18.6 -3 3 4 57.24 8.42 -1 3 4 1264.85 25.46 1 3 4 119.99 10.24 3 3 4 381.65 14.48 5 3 4 13.58 7.59 7 3 4 13.68 7.71 9 3 4 68.69 14 11 3 4 333.92 21.54 13 3 4 295.65 21.51 15 3 4 59.15 15.35 17 3 4 4.09 16.58 19 3 4 -21.9 15.53 21 3 4 30.98 18.87 -20 4 4 33 21.31 -18 4 4 59.96 19.28 -16 4 4 19.26 15.44 -14 4 4 -13.51 12.92 -12 4 4 293.15 22.98 -10 4 4 184.33 19.15 -8 4 4 31.04 12.85 -6 4 4 -8.02 10.13 -4 4 4 106.5 18.42 -2 4 4 -7.16 22.4 0 4 4 788.74 29.97 2 4 4 -3.4 11.67 4 4 4 145.8 18.61 6 4 4 -5.49 12.14 8 4 4 37.06 17.81 10 4 4 173.08 22.87 12 4 4 17.32 16.14 14 4 4 24.49 18.18 16 4 4 -10.02 17.37 18 4 4 9.36 18.84 -13 5 4 23.72 29.72 -11 5 4 -2.5 24.76 -9 5 4 -16.15 18.39 -7 5 4 3.14 18.58 -5 5 4 -4.28 17.96 -3 5 4 610.7 32.09 -1 5 4 -8.73 14.81 1 5 4 20.21 24.76 3 5 4 16.64 24 5 5 4 359.7 41.7 7 5 4 44.79 27.79 9 5 4 250.43 49.64 11 5 4 5.15 21.81 -27 1 5 32.02 24.78 -25 1 5 71.7 29.78 -23 1 5 35.19 18.84 -21 1 5 32.18 16.65 -19 1 5 4.02 10.15 -17 1 5 239.62 15.59 -15 1 5 229.25 14.06 -13 1 5 2067.67 33.29 -11 1 5 123.83 8.27 -9 1 5 3689.26 48.12 -7 1 5 3088.43 45.4 -5 1 5 3071.87 44.13 -3 1 5 562.46 14.2 -1 1 5 43.81 6.83 1 1 5 218.35 9 3 1 5 46900.08 725.29 5 1 5 122.46 6.69 7 1 5 15819.77 175.02 9 1 5 12.88 5.58 11 1 5 127.7 8.46 13 1 5 572.3 19.77 15 1 5 -6.22 8.74 17 1 5 -1.53 9.76 19 1 5 100.01 16.01 21 1 5 4.73 13.6 23 1 5 80.47 19.88 25 1 5 354.52 29.45 -26 2 5 35 22.44 -24 2 5 27.15 19.43 -22 2 5 40.69 18.05 -20 2 5 111.46 17.51 -18 2 5 586.3 28.58 -16 2 5 112.08 16.19 -14 2 5 68.73 13.73 -12 2 5 671.15 24.54 -10 2 5 1.4 5.33 -8 2 5 135.08 8.31 -6 2 5 418.74 18.47 -4 2 5 272.62 12.03 -2 2 5 82.03 7.55 0 2 5 432.48 11.96 2 2 5 4398.19 55.89 4 2 5 2494.73 45.69 6 2 5 3264.39 45.24 8 2 5 3543.66 49.17 10 2 5 137.79 16.21 12 2 5 716.47 27.19 14 2 5 46.41 10.9 16 2 5 7.95 10.75 18 2 5 40.82 12.73 20 2 5 -5.46 15.66 22 2 5 20.99 18.44 24 2 5 20.1 20.22 -23 3 5 22.49 17.51 -21 3 5 42.25 17.74 -19 3 5 75.12 18.63 -17 3 5 135 19.47 -15 3 5 384.34 24.28 -13 3 5 1640.28 62.77 -11 3 5 112.25 15.15 -9 3 5 336.5 19.73 -7 3 5 513.94 19.57 -5 3 5 65.88 10.13 -3 3 5 23.93 7.16 -1 3 5 134.99 10.51 1 3 5 598.93 17.03 3 3 5 472.11 24.27 5 3 5 10.65 7.56 7 3 5 5.4 8.85 9 3 5 43.11 12.61 11 3 5 251.5 19.89 13 3 5 281.67 21.81 15 3 5 54.86 15.08 17 3 5 4.37 13.97 19 3 5 -8.29 17.57 21 3 5 67.48 22.84 -18 4 5 43.96 18.17 -16 4 5 17.09 14.56 -14 4 5 -6.43 16.28 -12 4 5 357.17 26.77 -10 4 5 133.27 20.81 -8 4 5 412.07 24.04 -6 4 5 193.7 18.06 -4 4 5 -8.3 13.4 -2 4 5 182.06 18.37 0 4 5 -4.4 15.5 2 4 5 8.43 13.09 4 4 5 76.55 15.13 6 4 5 10.27 12.55 8 4 5 26.8 18.81 10 4 5 458.46 31.62 12 4 5 10.92 17.03 14 4 5 51.61 19.72 16 4 5 -11.07 17.49 18 4 5 8.53 18.17 -13 5 5 21.6 22.3 -11 5 5 42.53 22.99 -9 5 5 7.37 18.9 -7 5 5 80.17 21.51 -5 5 5 13.15 19.8 -3 5 5 1189.68 49.6 -1 5 5 141.78 21.56 1 5 5 5.81 15.9 3 5 5 54.98 55.53 5 5 5 -11.08 22.93 7 5 5 33.54 34.49 9 5 5 -12.95 19.47 11 5 5 28.43 24.69 -26 0 6 -36.05 30.2 -24 0 6 21.56 20.58 -22 0 6 49.41 21.49 -20 0 6 35.91 17.93 -18 0 6 702.65 38.5 -16 0 6 -9.9 9.62 -14 0 6 1074.27 32.46 -12 0 6 382.8 31.05 -10 0 6 1187.73 30.35 -8 0 6 3477.37 63.39 -6 0 6 1857.88 37.57 -4 0 6 10432.06 163.15 -2 0 6 139.73 11.21 0 0 6 3085.76 53.39 2 0 6 497.89 24.81 4 0 6 2495.81 46.66 6 0 6 18.17 6.66 8 0 6 4576.88 81.26 10 0 6 176.62 13.77 12 0 6 5324.95 97.09 14 0 6 197.84 18.58 16 0 6 83.52 19.14 18 0 6 7.82 16.66 20 0 6 3.28 18.7 22 0 6 632.61 91.53 24 0 6 52.45 25.13 26 0 6 28.4 46.92 -27 1 6 21.88 22.11 -25 1 6 29.9 20.22 -23 1 6 9.03 17.96 -21 1 6 38.74 17.6 -19 1 6 8.66 14.8 -17 1 6 442.97 19.83 -15 1 6 16.12 8.61 -13 1 6 2.46 5.9 -11 1 6 19.95 5.9 -9 1 6 1065.56 19.91 -7 1 6 13.8 6.13 -5 1 6 859.8 18.39 -3 1 6 248.11 9.57 -1 1 6 1672.22 26.92 1 1 6 3219.32 45.6 3 1 6 424.13 13.31 5 1 6 387.5 10.96 7 1 6 917.87 18.03 9 1 6 64.08 6.98 11 1 6 -8.46 5.64 13 1 6 -4.99 7.62 15 1 6 96.65 12.25 17 1 6 95.09 13.39 19 1 6 36.45 14.07 21 1 6 -3.89 13.46 23 1 6 9.72 15.71 25 1 6 14.6 17.67 -24 2 6 53.32 32.91 -22 2 6 60.57 28.11 -20 2 6 1.97 13.68 -18 2 6 75.63 15.65 -16 2 6 27.69 13 -14 2 6 984.84 31.24 -12 2 6 81.92 12.37 -10 2 6 326.41 19.56 -8 2 6 1717.18 42.9 -6 2 6 991.47 23.02 -4 2 6 525.93 16.07 -2 2 6 61.36 5.96 0 2 6 16.17 5.71 2 2 6 191.55 9.98 4 2 6 312.03 11.13 6 2 6 179.7 15.27 8 2 6 1290.63 24.75 10 2 6 3.36 9.91 12 2 6 389.16 24.49 14 2 6 82.86 12.49 16 2 6 38.16 13.21 18 2 6 -11.5 15.47 20 2 6 32.34 18.63 22 2 6 27.5 18.58 24 2 6 -14.12 20 -23 3 6 -2.77 18.11 -21 3 6 6.88 16.89 -19 3 6 211.83 23.47 -17 3 6 14.58 13.51 -15 3 6 55.92 15.41 -13 3 6 52.93 14.7 -11 3 6 58.82 13.19 -9 3 6 5.23 8.92 -7 3 6 366.56 17.06 -5 3 6 111.29 11.48 -3 3 6 7.2 8.4 -1 3 6 259.24 12.28 1 3 6 220.47 14.33 3 3 6 186.89 13.5 5 3 6 248.94 15.08 7 3 6 1207.58 34.93 9 3 6 489.02 26.73 11 3 6 411.56 37.72 13 3 6 50.05 14.53 15 3 6 48.94 15.68 17 3 6 5.62 14.64 19 3 6 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21.48 13.66 2 2 20 0.65 13.65 4 2 20 156.51 19.58 6 2 20 13.62 15.26 8 2 20 55.86 19.81 10 2 20 25.78 17.34 12 2 20 21.15 17.24 14 2 20 -3.02 17.11 -15 3 20 55.49 24.81 -13 3 20 27.5 21.54 -11 3 20 169.03 23.45 -9 3 20 -18.95 16.34 -7 3 20 112.52 28.1 -5 3 20 0.65 15.27 -3 3 20 -4.38 17.95 -1 3 20 6 15.83 1 3 20 84.85 19.98 3 3 20 10.29 16.83 5 3 20 7.5 18.18 7 3 20 5.04 25.72 9 3 20 11 21.13 11 3 20 90.24 24.01 -8 4 20 34.96 20.59 -6 4 20 -12.51 18.6 -4 4 20 0.81 21.7 -2 4 20 37.78 20.33 0 4 20 54.04 27.04 2 4 20 8.92 21.73 4 4 20 16.58 24.39 -19 1 21 17.09 26.53 -17 1 21 -7.32 18.14 -15 1 21 46.48 20.06 -13 1 21 9.65 14.81 -11 1 21 -5.73 13.56 -9 1 21 884.73 53 -7 1 21 1872.78 62.96 -5 1 21 148.97 23.71 -3 1 21 21.1 14.32 -1 1 21 92.56 17.89 1 1 21 175.25 18.32 3 1 21 19.77 11.33 5 1 21 150.47 19.55 7 1 21 25.63 15.66 9 1 21 968.38 153.5 11 1 21 6.15 22.54 13 1 21 47 23.04 15 1 21 108.12 42.09 -18 2 21 6.41 24.22 -16 2 21 18.29 20.4 -14 2 21 -2.02 15.08 -12 2 21 -11.17 14.33 -10 2 21 26.57 16.02 -8 2 21 405.76 27.44 -6 2 21 9.71 14.74 -4 2 21 1312.84 42.63 -2 2 21 33.69 15.13 0 2 21 47.31 15.93 2 2 21 -4.27 13.57 4 2 21 160.52 21.25 6 2 21 67.64 17.79 8 2 21 30.74 19.12 10 2 21 44.81 23.26 12 2 21 41.05 19.14 14 2 21 24.22 24.65 -15 3 21 18.96 23.23 -13 3 21 92.21 59.65 -11 3 21 42.68 19.56 -9 3 21 6.39 17.41 -7 3 21 29.27 17.3 -5 3 21 19.75 16.37 -3 3 21 1.24 15.46 -1 3 21 5.88 20.23 1 3 21 -7.86 17.02 3 3 21 23.94 16.73 5 3 21 7.32 19.09 7 3 21 -6.04 19.51 9 3 21 -2.12 21.9 -4 4 21 -23.38 18.78 -2 4 21 43.45 21.12 0 4 21 1.77 19.17 -20 0 22 105.32 37.86 -18 0 22 36.07 26.07 -16 0 22 -6.54 24.12 -14 0 22 64.6 26.74 -12 0 22 198.51 30.5 -10 0 22 115.39 42.39 -8 0 22 308.92 51.55 -6 0 22 170.47 44.6 -4 0 22 39.88 18.48 -2 0 22 345.25 70.79 0 0 22 111.48 23.96 2 0 22 -1.5 18.94 4 0 22 125.98 33.03 6 0 22 -10.13 20.64 8 0 22 240.15 37.3 10 0 22 284.08 68.27 12 0 22 76.93 38.36 14 0 22 354.13 56.18 -19 1 22 19.51 26.51 -17 1 22 56.99 21.95 -15 1 22 26.39 21.79 -13 1 22 11.2 20.93 -11 1 22 54.46 17.07 -9 1 22 6.15 13.96 -7 1 22 166.68 24.36 -5 1 22 111.11 18.5 -3 1 22 167.33 20.92 -1 1 22 75.76 16.16 1 1 22 79.35 19.84 3 1 22 -10.55 15.89 5 1 22 81.52 30.01 7 1 22 61.67 25.48 9 1 22 53.05 21.6 11 1 22 -24.58 19.56 13 1 22 -18.39 21.25 15 1 22 -28.58 25.07 -16 2 22 4.48 20.7 -14 2 22 17.48 17.66 -12 2 22 102.6 21.18 -10 2 22 -12.95 18.36 -8 2 22 103.46 19.2 -6 2 22 -2.53 14.4 -4 2 22 171.44 20.85 -2 2 22 17.31 15.7 0 2 22 -12.72 19.66 2 2 22 -15.43 21.05 4 2 22 5.33 14.48 6 2 22 61.87 17.85 8 2 22 6.6 17.72 10 2 22 5.65 18.72 12 2 22 -15.65 29.63 -13 3 22 7.51 21.33 -11 3 22 20.92 19.18 -9 3 22 22.29 18.07 -7 3 22 45.34 18.43 -5 3 22 8 21.72 -3 3 22 20.41 17.07 -1 3 22 77.12 27.26 1 3 22 -13.52 17.32 3 3 22 3.71 17.24 5 3 22 -7.84 20.01 7 3 22 -30.11 20.07 -17 1 23 -2.09 20.97 -15 1 23 36.99 21.32 -13 1 23 -7.27 18.9 -11 1 23 7.85 18.29 -9 1 23 90.33 19.14 -7 1 23 14.84 14.91 -5 1 23 19.13 14.33 -3 1 23 303.43 23.12 -1 1 23 51.29 20.3 1 1 23 3.41 16.82 3 1 23 5.79 17.51 5 1 23 14.7 15.53 7 1 23 139.84 21.56 9 1 23 10.39 19.14 11 1 23 95.85 25.03 13 1 23 16.87 23.57 -16 2 23 25.69 38.23 -14 2 23 73.83 20.67 -12 2 23 23.01 17.53 -10 2 23 -19.78 15.05 -8 2 23 -21.7 17.44 -6 2 23 6.73 16.54 -4 2 23 456.56 29.2 -2 2 23 11.72 14.39 0 2 23 42.03 17.21 2 2 23 10.65 15.7 4 2 23 25.03 16.61 6 2 23 39.22 20.43 8 2 23 -7.16 18.79 10 2 23 2.39 30.07 -11 3 23 -3.68 19.89 -9 3 23 -17.1 18.34 -7 3 23 16.25 18.88 -5 3 23 25.78 18.94 -3 3 23 30.98 19.8 -1 3 23 1.99 23.23 1 3 23 -5.85 18.84 3 3 23 -7.62 18.11 5 3 23 -17.51 19.28 -18 0 24 199.17 60.12 -16 0 24 20.54 43.5 -14 0 24 109.35 48.43 -12 0 24 37.76 41.18 -10 0 24 40.88 36.35 -8 0 24 24.77 38.06 -6 0 24 -1.21 36.35 -4 0 24 52.46 37.26 -2 0 24 26.68 35.14 0 0 24 71.83 31.46 2 0 24 142.42 29.4 4 0 24 244.95 32.99 6 0 24 29.34 41.44 8 0 24 307.05 37.84 10 0 24 49.98 28.52 12 0 24 1037.13 86.8 -17 1 24 -5.2 22.47 -15 1 24 6.71 21.34 -13 1 24 64.9 22.67 -11 1 24 43.96 21.03 -9 1 24 614.09 32.91 -7 1 24 -2.66 13.95 -5 1 24 499.47 35.22 -3 1 24 20.32 18.21 -1 1 24 214.02 26.99 1 1 24 51.17 20.13 3 1 24 20.57 20.26 5 1 24 20.53 19.61 7 1 24 61.11 18.47 9 1 24 20.49 20.61 11 1 24 21.86 21.32 -14 2 24 -3 21.45 -12 2 24 -26.26 18.39 -10 2 24 -4.81 16.32 -8 2 24 47.79 22.99 -6 2 24 77.49 19.14 -4 2 24 419.69 31.04 -2 2 24 17.63 23.47 0 2 24 20.79 17.27 2 2 24 28.34 16.95 4 2 24 18.03 21.16 6 2 24 -18.24 24.47 8 2 24 118.45 35.79 10 2 24 5.31 32.19 -9 3 24 2.88 20.49 -7 3 24 -24.79 17.73 -5 3 24 6.3 18.3 -3 3 24 18.69 19.02 -1 3 24 100.95 24.02 1 3 24 124.78 34.85 3 3 24 22.48 25.01 -15 1 25 100.8 27.08 -13 1 25 25.65 21.75 -11 1 25 -12.73 19.16 -9 1 25 262.88 40.09 -7 1 25 -1.25 19.13 -5 1 25 134.44 25.28 -3 1 25 9.16 19.7 -1 1 25 31.4 20.25 1 1 25 30.82 19.35 3 1 25 36.01 20.59 5 1 25 -7.29 20.52 7 1 25 20.85 21.3 9 1 25 33.66 23.45 -12 2 25 45.53 20.1 -10 2 25 -4.71 18.97 -8 2 25 11.28 17.34 -6 2 25 243.54 25.89 -4 2 25 229.69 43.61 -2 2 25 90.73 20.42 0 2 25 33.54 18.34 2 2 25 -1.58 21.84 4 2 25 9.64 25.18 6 2 25 32.28 28.01 8 2 25 9.22 30.52 -3 3 25 15.23 20.28 -14 0 26 20.04 44 -12 0 26 18.93 41.69 -10 0 26 -18.43 37.26 -8 0 26 -6.84 37.36 -6 0 26 60.51 43.8 -4 0 26 25.18 39.37 -2 0 26 65.35 41.18 0 0 26 388.57 59.41 2 0 26 70.94 27.37 4 0 26 36.01 30.56 6 0 26 24.75 25.45 8 0 26 10.39 24.95 -13 1 26 27.58 34.5 -11 1 26 -8.74 28.83 -9 1 26 -2.3 34.99 -7 1 26 45.66 46.57 -5 1 26 6.23 19.68 -3 1 26 12.13 25.9 -1 1 26 -13.2 18.02 1 1 26 26.11 20.65 3 1 26 30.41 21.9 5 1 26 43.34 22.17 7 1 26 30.65 21.95 -10 2 26 -3.92 18.58 -8 2 26 8.47 18.54 -6 2 26 75.4 21.84 -4 2 26 120.43 21.96 -2 2 26 -15.53 21.94 0 2 26 36.08 22.65 2 2 26 -1.7 21.17 4 2 26 36.19 23.29 -11 1 27 63.04 32.63 -9 1 27 -3.44 29.7 -7 1 27 23.07 30.11 -5 1 27 44.08 30.4 -3 1 27 19.38 21.37 -1 1 27 28.48 20.61 1 1 27 29.99 21.94 3 1 27 9.68 21.21 5 1 27 29.37 23.06 -6 2 27 80.32 22.09 -4 2 27 12.04 23.65 -2 2 27 0.55 22.08 0 2 27 9.16 28.31 -10 0 28 41.99 42.69 -8 0 28 -1.82 43 -6 0 28 -19.74 37.15 -4 0 28 4.43 39.27 -2 0 28 219.21 54.98 0 0 28 -4.33 37.15 2 0 28 193.03 51.25 4 0 28 -4.03 36.95 -9 1 28 29.15 31.76 -7 1 28 17.73 33.23 -5 1 28 -2.88 31.1 -3 1 28 -13.18 20.94 -1 1 28 37.86 22.03 1 1 28 1.94 20.7 3 1 28 30.83 23.92 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 C2 O1 H1 90(2) . . ? C7 O2 H2 111.0(13) . . ? N1 H2 O2 176(3) . . ? C8 O4 H4 112(3) . . ? C9 N1 H2 123.2(16) . . ? C13 N1 H2 116.4(16) . . ? C13 N1 C9 120.3(2) . . ? C6 C1 C2 119.4(2) . . ? C7 C1 C2 120.2(2) . . ? C7 C1 C6 120.4(2) . . ? C1 C2 O1 120.6(2) . . ? C3 C2 O1 119.5(2) . . ? C3 C2 C1 119.9(2) . . ? H3 C3 C2 118.2(12) . . ? C4 C3 C2 120.2(2) . . ? C4 C3 H3 121.5(12) . . ? C5 C4 C3 120.9(2) . . ? C8 C4 C3 118.9(2) . . ? C8 C4 C5 120.3(2) . . ? H5 C5 C4 123.1(12) . . ? C6 C5 C4 118.9(3) . . ? C6 C5 H5 118.0(12) . . ? C5 C6 C1 120.7(2) . . ? H6 C6 C1 119.8(11) . . ? H6 C6 C5 118.5(11) . . ? O3 C7 O2 123.9(2) . . ? C1 C7 O2 117.0(2) . . ? C1 C7 O3 119.1(2) . . ? O5 C8 O4 122.3(2) . . ? C4 C8 O4 118.3(2) . . ? C4 C8 O5 119.4(2) . . ? H9 C9 N1 118.8(14) . . ? C10 C9 N1 121.0(3) . . ? C10 C9 H9 120.2(14) . . ? H10 C10 C9 121.1(14) . . ? C11 C10 C9 120.2(3) . . ? C11 C10 H10 118.6(14) . . ? C12 C11 C10 116.7(2) . . ? C14 C11 C10 121.8(2) . . ? C14 C11 C12 121.3(2) . . ? H12 C12 C11 120.6(16) . . ? C13 C12 C11 120.0(3) . . ? C13 C12 H12 119.4(16) . . ? C12 C13 N1 121.7(3) . . ? H13 C13 N1 116(2) . . ? H13 C13 C12 123(2) . . ? H14A C14 C11 107.4(15) . . ? H14B C14 C11 107.6(14) . . ? H14B C14 H14A 114(2) . . ? C15 C14 C11 109.9(2) 2 . ? C15 C14 H14A 109.4(15) 2 . ? C15 C14 H14B 108.2(14) 2 . ? C14 C15 C14 113.7(3) 2 . ? H15A C15 C14 106.6(14) . 2 ? H15A C15 C14 107.3(14) . . ? H15A C15 C14 106.6(14) 2 . ? H15A C15 C14 107.3(14) 2 2 ? H15A C15 H15A 116(3) . 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 H1 0.85(3) . ? O1 C2 1.352(3) . ? O2 H2 1.43(4) . ? O2 C7 1.266(3) . ? H2 N1 1.14(4) . ? O3 C7 1.250(3) . ? O4 H4 0.98(4) . ? O4 C8 1.275(3) . ? O5 C8 1.251(3) . ? N1 C9 1.326(3) . ? N1 C13 1.321(3) . ? C1 C2 1.404(3) . ? C1 C6 1.399(3) . ? C1 C7 1.503(3) . ? C2 C3 1.393(3) . ? C3 H3 1.15(2) . ? C3 C4 1.388(3) . ? C4 C5 1.397(3) . ? C4 C8 1.486(3) . ? C5 H5 1.12(2) . ? C5 C6 1.403(3) . ? C6 H6 1.23(2) . ? C9 H9 1.04(2) . ? C9 C10 1.383(3) . ? C10 H10 1.01(2) . ? C10 C11 1.390(3) . ? C11 C12 1.392(3) . ? C11 C14 1.505(3) . ? C12 H12 1.03(3) . ? C12 C13 1.375(4) . ? C13 H13 1.00(3) . ? C14 H14A 1.09(3) . ? C14 H14B 1.05(3) . ? C14 C15 1.528(3) 2 ? C15 H15A 1.02(2) . ? C15 H15A 1.02(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 _geom_torsion_publ_flag O1 C2 C1 C6 178.7(2) . . . . ? O1 C2 C1 C7 -1.7(3) . . . . ? O1 C2 C3 C4 -179.1(2) . . . . ? O2 C7 C1 C2 179.1(2) . . . . ? O2 C7 C1 C6 -1.3(3) . . . . ? O3 C7 C1 C2 -1.4(3) . . . . ? O3 C7 C1 C6 178.1(2) . . . . ? O4 C8 C4 C3 -178.9(2) . . . . ? O4 C8 C4 C5 1.0(3) . . . . ? O5 C8 C4 C3 0.8(3) . . . . ? O5 C8 C4 C5 -179.3(2) . . . . ? N1 C9 C10 C11 0.6(3) . . . . ? N1 C13 C12 C11 -0.7(3) . . . . ? C1 C2 C3 C4 -0.7(3) . . . . ? C1 C6 C5 C4 -0.3(3) . . . . ? C2 C3 C4 C5 0.5(3) . . . . ? C2 C3 C4 C8 -179.5(2) . . . . ? C3 C4 C5 C6 -0.0(3) . . . . ? C9 C10 C11 C12 -2.4(3) . . . . ? C9 C10 C11 C14 173.2(2) . . . . ? C10 C11 C12 C13 2.4(3) . . . . ? C10 C11 C14 C15 -90.1(2) . . . 2 ? C11 C14 C15 C14 176.24(11) . . 2 2 ? loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_f_squared_weight _refln_observed_status -27 1 1 2.502 35.756 43.164 36.883 o -27 1 2 0.877 36.443 32.350 65.481 o -27 1 3 22.901 28.318 32.067 66.141 o -27 1 4 24.392 80.936 34.695 55.986 o -27 1 5 51.450 47.824 37.010 49.139 o -27 1 6 48.484 32.679 33.023 61.654 o -27 1 7 0.206 -6.870 28.676 83.908 o -26 0 2 42.517 34.680 96.782 7.347 o -26 0 4 25.332 44.224 40.221 42.136 o -26 0 6 1.305 -53.843 45.105 33.910 o -26 0 8 0.946 -6.318 46.763 31.551 o -26 0 10 5.688 -37.742 46.763 31.526 o -26 0 12 145.834 68.420 55.187 21.881 o -26 2 1 11.468 8.618 30.991 71.405 o -26 2 2 1.320 -39.041 28.527 84.747 o -26 2 3 0.946 -20.118 28.004 87.954 o -26 2 4 14.925 -0.553 29.543 78.561 o -26 2 5 77.227 52.274 33.515 58.750 o -25 1 1 309.619 326.565 42.522 30.259 o -25 1 2 6.581 55.232 30.349 73.818 o -25 1 3 65.530 94.900 31.753 64.746 o -25 1 4 20.648 -0.224 28.139 86.290 o -25 1 5 59.487 107.088 44.478 33.895 o -25 1 6 47.838 44.657 30.200 73.125 o -25 1 7 377.224 381.439 44.568 26.267 o -25 1 8 93.540 75.200 31.992 63.105 o -25 1 9 221.645 258.683 61.908 16.729 o -25 1 10 2.406 40.296 29.692 77.507 o -25 1 11 9.649 15.533 27.153 92.765 o -25 1 12 2.676 -38.280 33.949 59.825 o -25 1 13 29.321 58.607 36.025 52.147 o -25 1 14 0.058 34.426 36.786 50.748 o -24 0 2 70.115 77.381 36.577 49.549 o -24 0 4 223.771 206.812 44.209 31.134 o -24 0 6 26.988 32.201 30.737 71.684 o -24 0 8 242.306 118.961 51.289 24.113 o -24 0 10 3.445 21.209 42.551 38.001 o -24 0 12 154.383 106.475 57.009 20.401 o -24 0 14 0.703 55.037 50.826 26.598 o -24 0 16 103.875 129.177 59.249 19.120 o -24 2 1 7.901 -23.658 25.092 109.102 o -24 2 2 13.396 16.967 28.363 84.892 o -24 2 3 0.005 -7.931 28.392 85.601 o -24 2 4 45.866 15.518 30.200 73.803 o -24 2 5 91.437 40.550 29.020 76.771 o -24 2 6 53.965 79.636 49.153 28.036 o -24 2 7 29.705 12.695 28.900 81.201 o -24 2 8 50.028 28.945 28.960 79.566 o -24 2 9 0.000 -6.183 34.486 58.023 o -24 2 10 1.589 -33.844 26.720 96.578 o -24 2 11 16.962 -12.994 28.811 82.496 o -24 2 12 12.449 19.954 30.468 73.646 o -24 2 13 0.026 -9.141 31.126 71.227 o -23 1 1 25.049 63.924 25.271 104.032 o -23 1 2 0.830 6.990 21.955 142.693 o -23 1 3 56.548 67.763 26.466 92.785 o -23 1 4 648.650 713.261 49.616 16.453 o -23 1 5 21.025 52.558 28.139 85.020 o -23 1 6 0.135 13.487 26.824 95.569 o -23 1 7 3.959 30.319 23.942 118.873 o -23 1 8 25.537 38.340 27.601 88.421 o -23 1 9 64.146 39.624 27.795 84.981 o -23 1 10 7.771 -22.254 51.124 26.373 o -23 1 11 67.145 79.472 29.946 72.615 o -23 1 12 88.000 53.170 28.482 79.332 o -23 1 13 9.503 30.558 26.899 94.116 o -23 1 14 0.062 -9.992 32.978 63.451 o -23 1 15 12.921 39.758 53.902 23.643 o -23 1 16 1.115 -13.352 32.410 65.669 o -23 1 17 49.504 92.765 43.462 35.651 o -23 1 18 12.930 19.566 37.623 48.451 o -23 3 1 73.671 46.972 40.894 40.127 o -23 3 2 22.229 5.272 24.957 109.092 o -23 3 3 29.970 42.820 27.780 86.953 o -23 3 4 0.395 -17.579 24.315 116.689 o -23 3 5 4.612 33.590 26.152 99.695 o -23 3 6 0.069 -4.137 27.048 94.318 o -23 3 7 25.368 10.589 27.720 88.401 o -23 3 8 1.594 -4.869 47.659 30.373 o -23 3 9 197.145 279.608 45.882 29.001 o -22 0 2 575.073 567.431 53.499 16.545 o -22 0 4 192.716 216.864 41.028 36.058 o -22 0 6 72.394 73.796 32.096 63.582 o -22 0 8 961.346 1007.800 64.148 9.132 o -22 0 10 8.078 2.405 39.400 44.355 o -22 0 12 1727.620 1724.050 118.797 2.857 o -22 0 14 5.925 45.270 45.867 32.626 o -22 0 16 2.423 30.678 43.910 35.664 o -22 0 18 95.089 56.397 47.674 29.523 o -22 0 20 174.578 79.711 58.353 19.472 o -22 2 1 0.826 -24.046 21.194 153.530 o -22 2 2 18.205 13.442 37.936 47.627 o -22 2 3 0.995 14.816 24.225 116.968 o -22 2 4 5.595 -17.699 27.675 89.855 o -22 2 5 76.388 60.773 26.959 88.441 o -22 2 6 96.186 90.465 41.984 37.500 o -22 2 7 2.857 30.274 25.689 103.493 o -22 2 8 1.069 -12.277 22.881 131.707 o -22 2 9 0.444 -18.386 25.256 108.156 o -22 2 10 1.571 5.690 29.677 78.210 o -22 2 11 197.832 237.430 34.277 48.466 o -22 2 12 85.621 110.672 30.394 68.941 o -22 2 13 28.599 8.991 24.957 108.478 o -22 2 14 9.640 -11.814 25.092 108.988 o -22 2 15 6.550 4.466 26.585 97.191 o -22 2 16 4.503 -0.792 28.407 85.339 o -22 2 17 0.055 -1.180 28.318 86.051 o -21 1 1 1726.610 1842.540 57.815 4.992 o -21 1 2 61.935 22.717 20.402 153.479 o -21 1 3 4.081 53.051 21.895 140.378 o -21 1 4 85.703 81.189 23.957 107.732 o -21 1 5 3.325 48.062 24.868 109.682 o -21 1 6 11.407 57.860 26.287 97.529 o -21 1 7 33.162 60.235 25.331 103.056 o -21 1 8 11.000 19.132 24.061 117.591 o -21 1 9 64.100 52.902 34.471 56.029 o -21 1 10 72.122 113.391 32.291 62.108 o -21 1 11 81.813 95.991 28.378 78.921 o -21 1 12 29.204 33.963 25.196 105.485 o -21 1 13 76.347 70.929 27.317 85.936 o -21 1 14 4.840 19.431 25.092 108.661 o -21 1 15 14.566 25.271 26.018 100.357 o -21 1 16 8.124 9.230 28.527 84.304 o -21 1 17 110.831 92.167 36.084 49.596 o -21 1 18 2.104 14.592 29.632 78.280 o -21 1 19 22.266 34.561 32.276 65.228 o -21 1 20 9.058 58.846 31.589 68.084 o -21 3 1 154.881 168.846 29.841 65.501 o -21 3 2 0.273 26.779 23.509 123.719 o -21 3 3 7.029 5.347 23.240 126.928 o -21 3 4 57.062 20.730 29.692 75.683 o -21 3 5 66.565 63.103 26.496 92.007 o -21 3 6 8.773 10.276 25.226 107.558 o -21 3 7 14.553 61.191 27.691 87.839 o -21 3 8 693.121 800.813 75.828 8.886 o -21 3 9 308.450 314.154 37.249 37.343 o -21 3 10 175.175 88.060 28.721 71.271 o -21 3 11 138.056 150.416 31.902 59.721 o -21 3 12 37.558 26.137 27.093 91.335 o -21 3 13 35.787 35.278 29.259 78.509 o -21 3 14 142.147 34.337 66.508 15.285 o -20 0 2 1241.540 1188.180 95.796 4.787 o -20 0 4 155.670 77.456 50.676 25.666 o -20 0 6 23.240 53.633 26.779 93.460 o -20 0 8 455.706 360.902 94.975 7.044 o -20 0 10 142.305 149.908 32.485 57.662 o -20 0 12 14.205 21.806 38.354 46.599 o -20 0 14 176.365 155.344 51.289 24.569 o -20 0 16 273.079 236.116 59.847 17.564 o -20 0 18 9.044 -19.551 39.997 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