#------------------------------------------------------------------------------ #$Date: 2024-06-20 01:22:26 +0300 (Thu, 20 Jun 2024) $ #$Revision: 292468 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/19/1571944.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_1571944 loop_ _publ_author_name 'Arnold, Robert' 'Saska, Jan' 'Mesquita-Ribeiro, Raquel' 'Dajas-Bailador, Federico' 'Lewis, William' 'Taylor, Laurence John' 'Argent, Stephen' 'Shaoh, Huiling' 'Houk, K. N.' 'Denton, Ross Matthew' _publ_section_title ; Total Synthesis, Biological Evaluation and Biosynthetic Re-Evaluation of Illicium-Derived Neolignans ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D4SC03232B _journal_year 2024 _chemical_formula_moiety 'C29 H29.99 O4' _chemical_formula_sum 'C29 H30 O4' _chemical_formula_weight 442.53 _space_group_crystal_system monoclinic _space_group_IT_number 15 _space_group_name_Hall '-I 2ya' _space_group_name_H-M_alt 'I 1 2/a 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _atom_sites_solution_secondary difmap _audit_creation_date 2017-11-24 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _audit_update_record ; 2024-01-23 deposited with the CCDC. 2024-06-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90.510(3) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 19.1851(6) _cell_length_b 7.8229(2) _cell_length_c 31.2872(11) _cell_measurement_reflns_used 4865 _cell_measurement_temperature 120(2) _cell_measurement_theta_max 74.0200 _cell_measurement_theta_min 4.6090 _cell_volume 4695.5(3) _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'olex2.solve (Bourhis et al., 2015)' _diffrn_ambient_environment 'N2 gas' _diffrn_ambient_temperature 120(2) _diffrn_crystal_treatment 'flash frozen in gaseous N2' _diffrn_detector 'CCD area detector' _diffrn_detector_area_resol_mean 4.2207 _diffrn_detector_type 'Agilent Diffraction Titan S2 detector' _diffrn_measured_fraction_theta_full 0.996 _diffrn_measured_fraction_theta_max 0.970 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w 84.00 142.00 1.00 20.00 -- 103.32 45.00 -60.00 58 2 \w 60.00 90.00 1.00 20.00 -- 103.32 -45.00-180.00 30 3 \w 41.00 96.00 1.00 20.00 -- 103.32 -45.00 -90.00 55 4 \w 66.00 92.00 1.00 20.00 -- 103.32 -45.00 -60.00 26 5 \w 60.00 90.00 1.00 20.00 -- 103.32 -30.00 0.00 30 6 \w 37.00 87.00 1.00 20.00 -- 103.32 -30.00 90.00 50 7 \w 40.00 90.00 1.00 20.00 -- 103.32 -45.00 150.00 50 8 \w 63.00 121.00 1.00 20.00 -- 103.32-125.00 120.00 58 9 \w 37.00 90.00 1.00 20.00 -- 103.32 -30.00 -30.00 53 10 \w 2.00 28.00 1.00 5.00 -- 43.06-125.00 -60.00 26 11 \w -8.00 28.00 1.00 5.00 -- -43.06 38.00-150.00 36 12 \w -47.00 3.00 1.00 5.00 -- -43.06 38.00 30.00 50 13 \w -111.00 -25.00 1.00 5.00 -- -43.06 -57.00 60.00 86 ; _diffrn_measurement_device '\k-geometry diffractometer' _diffrn_measurement_device_type 'SuperNova, Titan S2' _diffrn_measurement_method '\w scans' _diffrn_measurement_specimen_support 'MiTeGen micromount' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0773638000 _diffrn_orient_matrix_UB_12 0.0528865000 _diffrn_orient_matrix_UB_13 -0.0006953000 _diffrn_orient_matrix_UB_21 0.0057813000 _diffrn_orient_matrix_UB_22 0.0552550000 _diffrn_orient_matrix_UB_23 0.0471981000 _diffrn_orient_matrix_UB_31 0.0206306000 _diffrn_orient_matrix_UB_32 0.1814784000 _diffrn_orient_matrix_UB_33 -0.0140735000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0230 _diffrn_reflns_av_unetI/netI 0.0263 _diffrn_reflns_Laue_measured_fraction_full 0.996 _diffrn_reflns_Laue_measured_fraction_max 0.970 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_limit_l_min -37 _diffrn_reflns_number 9181 _diffrn_reflns_point_group_measured_fraction_full 0.996 _diffrn_reflns_point_group_measured_fraction_max 0.970 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 73.693 _diffrn_reflns_theta_min 2.825 _diffrn_source 'microfocus sealed tube' _diffrn_source_type 'Agilent Diffraction microfocus tube' _exptl_absorpt_coefficient_mu 0.655 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.563 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.252 _exptl_crystal_description plate _exptl_crystal_F_000 1888 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: diethyl ether, petroleum ether' _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.283 _exptl_crystal_size_min 0.044 _refine_diff_density_max 0.489 _refine_diff_density_min -0.255 _refine_diff_density_rms 0.040 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 387 _refine_ls_number_reflns 4611 _refine_ls_number_restraints 273 _refine_ls_restrained_S_all 1.079 _refine_ls_R_factor_all 0.0497 _refine_ls_R_factor_gt 0.0456 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0657P)^2^+2.9875P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1214 _refine_ls_wR_factor_ref 0.1261 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4160 _reflns_number_total 4611 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4sc03232b2.cif _cod_data_source_block 44 _cod_database_code 1571944 _nottingham_internal_coll_name REARDE _nottingham_internal_coll_number 17310 _nottingham_internal_coll_client REA/RD _nottingham_internal_coll_type custom _nottingham_internal_coll_frame_method '\w scans' _nottingham_internal_coll_frame_time '20.00, 5.00' _nottingham_internal_coll_frame_width 1.00 _nottingham_internal_coll_user pczwl _nottingham_internal_coll_date 23/10/2017 _nottingham_internal_coll_location NOTTS _nottingham_internal_coll_instrument 'GVA, PL13110002' _nottingham_internal_process_date 24/10/2017 _nottingham_internal_process_user pczwl _nottingham_internal_solution_date 24/10/2017 _nottingham_internal_solution_user pczwl _nottingham_internal_refinement_date 20/11/2017 _nottingham_internal_refinement_user pczwl _nottingham_internal_validation_date 24/11/2017 _nottingham_internal_validation_user pczwl _nottingham_internal_archive_date 24/11/2017 _shelx_shelxl_version_number 2017/1 _chemical_oxdiff_formula 'C29 H30 O4' _chemical_oxdiff_usercomment 'REARDE #17310 GVA-1298 IN FOMBLIN FILM ON A MICROMOUNT FOR REA/RD' _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_max 0.972 _shelx_estimated_absorpt_t_min 0.818 _reflns_odcompleteness_completeness 99.67 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 67.13 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C20A-C19 \\sim C20-C19 with sigma of 0.02 C20-C21 \\sim C21A-C20A \\sim C21B-C20A with sigma of 0.02 C30A-C26 \\sim C30-C26 \\sim C19-C9 with sigma of 0.02 C30B-C26 \\sim C30-C26 \\sim C26-C30A \\sim C19-C9 with sigma of 0.02 C31A-C32A \\sim C32-C31 \\sim C20-C21 \\sim C21A-C20A \\sim C21B-C20A with sigma of 0.02 C21A-C20A \\sim C21B-C20A \\sim C20-C21 \\sim C32B-C31B \\sim C32-C31 \\sim C31A-C32A with sigma of 0.02 C20A-C19 \\sim C20-C19 \\sim C30A-C31A \\sim C30-C31 with sigma of 0.02 C20-C19 \\sim C20A-C19 \\sim C31B-C30B \\sim C30-C31 \\sim C31A-C30A with sigma of 0.02 3. Uiso/Uaniso restraints and constraints C19 \\sim C20 \\sim C20A \\sim C21 \\sim C21A \\sim C21B \\sim C30 \\sim C30A \\sim C30B \\sim C31 \\sim C31A \\sim C31B \\sim C32 \\sim C32A \\sim C32B: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 4. Rigid body (RIGU) restrains C19, C20, C20A, C21, C21A, C21B, C30, C30A, C30B, C31, C31A, C31B, C32, C32A, C32B with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 5. Others 1*[Sof(H19A)+Sof(H19B)+Sof(H19C)+Sof(H19D)+Sof(C20)+Sof(H20)+Sof(C20A)+ Sof(C21)+Sof(H21A)+Sof(H21B)]+1*[Sof(H20A)+Sof(C21A)+Sof(H21C)+Sof(H21D)]+1* [Sof(H20B)+Sof(C21B)+Sof(H21E)+Sof(H21F)]=1 with esd of 0.001 1*[Sof(C30)+Sof(H30A)+Sof(H30B)+Sof(C31)+Sof(H31)+Sof(C32)+Sof(H32A)+ Sof(H32B)]+1*[Sof(C30A)+Sof(H30C)+Sof(H30D)+Sof(C31A)+Sof(H31A)+Sof(C32A)+ Sof(H32C)+Sof(H32D)]+1*[Sof(C30B)+Sof(H30E)+Sof(H30F)+Sof(C31B)+Sof(H31B)+ Sof(C32B)+Sof(H32E)+Sof(H32F)]=1 with esd of 0.001 Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32A)=Sof(H32B)= FVAR(1) Sof(H19C)=Sof(H19D)=Sof(C20A)=1-FVAR(2) Sof(H19A)=Sof(H19B)=Sof(C20)=Sof(H20)=Sof(C21)=Sof(H21A)=Sof(H21B)=FVAR(2) Sof(H20A)=Sof(C21A)=Sof(H21C)=Sof(H21D)=FVAR(3) Sof(H20B)=Sof(C21B)=Sof(H21E)=Sof(H21F)=FVAR(4) Sof(C30A)=Sof(H30C)=Sof(H30D)=Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32C)= Sof(H32D)=FVAR(5) Sof(C30B)=Sof(H30E)=Sof(H30F)=Sof(C31B)=Sof(H31B)=Sof(C32B)=Sof(H32E)= Sof(H32F)=FVAR(6) 6.a Ternary CH refined with riding coordinates: C6(H6) 6.b Secondary CH2 refined with riding coordinates: C5(H5A,H5B), C17(H17A,H17B), C19(H19A,H19B), C19(H19C,H19D), C30(H30A,H30B), C30A(H30C,H30D), C30B(H30E,H30F) 6.c Aromatic/amide H refined with riding coordinates: C7(H7), C8(H8), C10(H10), C11(H11), C14(H14), C15(H15), C20(H20), C20A(H20A), C20A(H20B), C24(H24), C25(H25), C27(H27), C31(H31), C31A(H31A), C31B(H31B) 6.d X=CH2 refined with riding coordinates: C21(H21A,H21B), C21A(H21C,H21D), C21B(H21E,H21F), C32(H32A,H32B), C32A(H32C, H32D), C32B(H32E,H32F) 6.e Idealised Me refined as rotating group: C18(H18A,H18B,H18C), C29(H29A,H29B,H29C) ; _shelx_res_file ; TITL rearde.res created by SHELXL-2017/1 at 13:26:03 on 24-Nov-2017 CELL 1.54184 19.18507 7.822937 31.287213 90 90.5101 90 ZERR 8 0.000578 0.000235 0.001085 0 0.0028 0 LATT 2 SYMM 0.5-X,+Y,-Z SFAC C H O UNIT 232 240 32 SADI C20A C19 C20 C19 SADI C20 C21 C21A C20A C21B C20A SADI C30A C26 C30 C26 C19 C9 SADI C30B C26 C30 C26 C26 C30A C19 C9 SADI C31A C32A C32 C31 C20 C21 C21A C20A C21B C20A SADI C21A C20A C21B C20A C20 C21 C32B C31B C32 C31 C31A C32A SADI C20A C19 C20 C19 C30A C31A C30 C31 SADI C20 C19 C20A C19 C31B C30B C30 C31 C31A C30A SIMU 0.01 0.02 2 C19 > C21B C30 > C32B RIGU C19 > C21B C30 > C32B SUMP 1 0.001 1 3 1 4 1 5 SUMP 1 0.001 1 2 1 6 1 7 L.S. 12 PLAN 20 SIZE 0.044 0.283 0.32 TEMP -153(2) BIND 2 3 BIND 2 4 bump 0.01 bond $h conf fmap 2 acta REM REM REM WGHT 0.065700 2.987500 FVAR 2.58483 0.47701 0.65172 0.19852 0.14918 0.29642 0.22564 O1 3 0.488446 0.597980 0.602205 11.00000 0.03890 0.02827 = 0.02917 0.00286 0.00171 -0.00020 C2 1 0.506513 0.435331 0.589598 11.00000 0.02846 0.02764 = 0.02597 0.00024 -0.00140 -0.00328 C3 1 0.490600 0.288755 0.612935 11.00000 0.02397 0.03183 = 0.02364 0.00243 0.00016 -0.00374 C4 1 0.447073 0.296095 0.653966 11.00000 0.02413 0.03162 = 0.02536 0.00341 0.00240 -0.00049 C5 1 0.420695 0.482739 0.660316 11.00000 0.02763 0.03611 = 0.03265 0.00125 0.00382 0.00457 AFIX 23 H5A 2 0.377355 0.499446 0.643419 11.00000 -1.20000 H5B 2 0.409427 0.500423 0.690815 11.00000 -1.20000 AFIX 0 C6 1 0.473880 0.613978 0.646856 11.00000 0.03286 0.03128 = 0.02916 -0.00107 0.00200 0.00443 AFIX 13 H6 2 0.454663 0.730694 0.652323 11.00000 -1.20000 AFIX 0 C7 1 0.541408 0.422657 0.550850 11.00000 0.03805 0.03433 = 0.02535 0.00420 0.00205 -0.00802 AFIX 43 H7 2 0.551475 0.522779 0.534869 11.00000 -1.20000 AFIX 0 C8 1 0.561348 0.264228 0.535703 11.00000 0.03993 0.04064 = 0.02495 -0.00088 0.00568 -0.00665 AFIX 43 H8 2 0.584417 0.256541 0.509031 11.00000 -1.20000 AFIX 0 C9 1 0.548236 0.115329 0.558849 11.00000 0.03605 0.03476 = 0.02909 -0.00259 0.00304 -0.00330 C10 1 0.512762 0.131580 0.597147 11.00000 0.03028 0.02911 = 0.02875 0.00286 0.00143 -0.00481 AFIX 43 H10 2 0.503225 0.031399 0.613229 11.00000 -1.20000 AFIX 0 C11 1 0.384788 0.182343 0.646983 11.00000 0.02285 0.03804 = 0.02651 0.00404 0.00025 0.00028 AFIX 43 H11 2 0.353790 0.212009 0.624327 11.00000 -1.20000 AFIX 0 C12 1 0.369131 0.043226 0.669798 11.00000 0.02062 0.03348 = 0.02554 0.00062 0.00344 0.00049 C13 1 0.415277 -0.009427 0.705907 11.00000 0.02360 0.03046 = 0.02482 0.00139 0.00491 0.00198 C14 1 0.474194 0.104647 0.715837 11.00000 0.02369 0.03696 = 0.02324 0.00210 0.00024 0.00056 AFIX 43 H14 2 0.502281 0.080506 0.740258 11.00000 -1.20000 AFIX 0 C15 1 0.489843 0.240254 0.692071 11.00000 0.02224 0.03438 = 0.02523 -0.00037 0.00246 -0.00075 AFIX 43 H15 2 0.530022 0.305072 0.699526 11.00000 -1.20000 AFIX 0 O16 3 0.534085 0.592269 0.671459 11.00000 0.03376 0.02842 = 0.03182 -0.00106 -0.00096 -0.00189 C17 1 0.585505 0.722837 0.665919 11.00000 0.04338 0.02856 = 0.05286 0.00238 -0.00541 -0.00599 AFIX 23 H17A 2 0.567433 0.833859 0.676206 11.00000 -1.20000 H17B 2 0.597009 0.734513 0.635274 11.00000 -1.20000 AFIX 0 C18 1 0.648833 0.673767 0.690819 11.00000 0.04755 0.03330 = 0.07827 0.00247 -0.01780 -0.00966 AFIX 137 H18A 2 0.663938 0.559300 0.682173 11.00000 -1.50000 H18B 2 0.638084 0.673589 0.721381 11.00000 -1.50000 H18C 2 0.686191 0.756089 0.685303 11.00000 -1.50000 AFIX 0 C19 1 0.570666 -0.058988 0.542716 11.00000 0.05882 0.03817 = 0.03751 -0.00365 0.00825 0.00156 PART 1 AFIX 23 H19A 2 0.572752 -0.138516 0.567307 31.00000 -1.20000 H19B 2 0.534402 -0.102035 0.522745 31.00000 -1.20000 AFIX 23 PART 0 PART 2 H19C 2 0.561349 -0.068849 0.511640 -31.00000 -1.20000 H19D 2 0.544719 -0.150402 0.557597 -31.00000 -1.20000 AFIX 0 PART 0 PART 1 C20 1 0.636657 -0.063487 0.521392 31.00000 0.04622 0.03447 = 0.04476 0.00020 0.00333 0.00739 AFIX 43 H20 2 0.676403 -0.023459 0.536704 31.00000 -1.20000 AFIX 0 PART 0 PART 2 C20A 1 0.651723 -0.075764 0.552307 -31.00000 0.06447 0.08848 = 0.07907 -0.01247 0.01925 0.02472 PART 0 PART 3 AFIX 43 H20A 2 0.667163 -0.103469 0.580398 41.00000 -1.20000 AFIX 43 PART 0 PART 4 H20B 2 0.683444 0.013624 0.545839 51.00000 -1.20000 AFIX 0 PART 0 PART 1 C21 1 0.645993 -0.119290 0.482032 31.00000 0.05721 0.06869 = 0.04520 0.00199 0.01555 0.01996 AFIX 93 H21A 2 0.607434 -0.160274 0.465759 31.00000 -1.20000 H21B 2 0.691268 -0.118459 0.469982 31.00000 -1.20000 AFIX 0 PART 0 PART 3 C21A 1 0.701308 -0.050278 0.519869 41.00000 0.07009 0.06704 = 0.09721 -0.01727 0.03669 0.00247 AFIX 93 H21C 2 0.686362 -0.022531 0.491683 41.00000 -1.20000 H21D 2 0.749629 -0.060869 0.526220 41.00000 -1.20000 AFIX 0 PART 0 PART 4 C21B 1 0.673110 -0.223860 0.570143 51.00000 0.06466 0.08717 = 0.12263 -0.01180 0.01165 0.01873 AFIX 93 H21E 2 0.640206 -0.311045 0.576263 51.00000 -1.20000 H21F 2 0.721084 -0.241022 0.576591 51.00000 -1.20000 AFIX 0 PART 0 C22 1 0.308629 -0.066028 0.657685 11.00000 0.02283 0.03234 = 0.03224 0.00504 -0.00186 0.00231 C23 1 0.251870 -0.087096 0.685272 11.00000 0.02425 0.02765 = 0.03482 0.00489 -0.00121 0.00189 C24 1 0.194547 -0.183431 0.672083 11.00000 0.02592 0.03542 = 0.05244 0.00667 -0.00114 -0.00258 AFIX 43 H24 2 0.155769 -0.196716 0.690462 11.00000 -1.20000 AFIX 0 C25 1 0.194125 -0.259752 0.632202 11.00000 0.03424 0.04078 = 0.05960 -0.00216 -0.01302 -0.00542 AFIX 43 H25 2 0.154425 -0.323796 0.623442 11.00000 -1.20000 AFIX 0 C26 1 0.250027 -0.245381 0.604657 11.00000 0.04016 0.04661 = 0.04620 -0.00698 -0.01292 0.00400 C27 1 0.306635 -0.146593 0.618127 11.00000 0.03007 0.04683 = 0.03370 -0.00195 -0.00462 0.00457 AFIX 43 H27 2 0.345223 -0.133958 0.599572 11.00000 -1.20000 AFIX 0 O28 3 0.257179 -0.003681 0.723392 11.00000 0.02376 0.03817 = 0.03491 0.00317 0.00775 -0.00169 C29 1 0.201710 -0.025860 0.753052 11.00000 0.02875 0.05742 = 0.03858 0.01150 0.01018 0.00081 AFIX 137 H29A 2 0.158071 0.015684 0.740274 11.00000 -1.50000 H29B 2 0.211981 0.038917 0.779167 11.00000 -1.50000 H29C 2 0.197030 -0.147396 0.760057 11.00000 -1.50000 AFIX 0 PART 1 C30 1 0.246195 -0.344268 0.563026 21.00000 0.04283 0.05594 = 0.04683 -0.01266 -0.01043 -0.00758 AFIX 23 H30A 2 0.207328 -0.295495 0.545944 21.00000 -1.20000 H30B 2 0.289607 -0.320340 0.547236 21.00000 -1.20000 AFIX 0 PART 0 PART 2 C30A 1 0.262092 -0.316073 0.559125 61.00000 0.04938 0.04860 = 0.04316 -0.00534 -0.02737 -0.00258 AFIX 23 H30C 2 0.220641 -0.383670 0.550556 61.00000 -1.20000 H30D 2 0.265413 -0.218129 0.539210 61.00000 -1.20000 AFIX 0 PART 0 PART 6 C30B 1 0.245605 -0.329888 0.560806 71.00000 0.04651 0.05147 = 0.04604 -0.00922 -0.01437 -0.00251 AFIX 23 H30E 2 0.196397 -0.338305 0.551241 71.00000 -1.20000 H30F 2 0.271600 -0.261758 0.539571 71.00000 -1.20000 AFIX 0 PART 0 PART 1 C31 1 0.236741 -0.532189 0.563631 21.00000 0.04585 0.04413 = 0.04099 -0.01180 -0.00342 0.00149 AFIX 43 H31 2 0.229917 -0.585718 0.536662 21.00000 -1.20000 AFIX 0 PART 0 PART 2 C31A 1 0.325570 -0.425867 0.553625 61.00000 0.05558 0.06204 = 0.04758 -0.00342 -0.01196 -0.00640 AFIX 43 H31A 2 0.368292 -0.371834 0.561154 61.00000 -1.20000 AFIX 0 PART 0 PART 6 C31B 1 0.276937 -0.504823 0.565010 71.00000 0.04269 0.04934 = 0.05314 -0.00336 -0.01709 -0.00317 AFIX 43 H31B 2 0.324092 -0.534764 0.559801 71.00000 -1.20000 AFIX 0 PART 0 PART 1 C32 1 0.236698 -0.637677 0.598550 21.00000 0.03722 0.04484 = 0.04694 -0.00879 -0.00478 0.01236 AFIX 93 H32A 2 0.243284 -0.591360 0.626363 21.00000 -1.20000 H32B 2 0.230082 -0.757187 0.594967 21.00000 -1.20000 AFIX 0 PART 0 PART 2 C32A 1 0.331710 -0.577738 0.540693 61.00000 0.04430 0.04712 = 0.04371 -0.00216 0.00200 0.00172 AFIX 93 H32C 2 0.291507 -0.641083 0.532511 61.00000 -1.20000 H32D 2 0.376540 -0.628814 0.539132 61.00000 -1.20000 AFIX 0 PART 0 PART 6 C32B 1 0.227716 -0.608083 0.577099 71.00000 0.06359 0.06579 = 0.09276 -0.00246 0.00496 0.01043 AFIX 93 H32E 2 0.181928 -0.565743 0.581501 71.00000 -1.20000 H32F 2 0.237573 -0.725801 0.581521 71.00000 -1.20000 AFIX 0 PART 0 O33 3 0.406158 -0.143510 0.725303 11.00000 0.03039 0.03297 = 0.03245 0.00605 0.00065 -0.00058 HKLF 4 REM REM R1 = 0.0456 for 4160 Fo > 4sig(Fo) and 0.0497 for all 4611 data REM 387 parameters refined using 273 restraints END WGHT 0.0656 2.9867 REM Highest difference peak 0.489, deepest hole -0.255, 1-sigma level 0.040 Q1 1 0.6352 -0.1724 0.5517 11.00000 0.05 0.34 Q2 1 0.3860 0.0356 0.6901 11.00000 0.05 0.23 Q3 1 0.2118 0.0743 0.7731 11.00000 0.05 0.21 Q4 1 0.4349 0.3835 0.6574 11.00000 0.05 0.20 Q5 1 0.4679 0.2657 0.6729 11.00000 0.05 0.20 Q6 1 0.6059 -0.0276 0.4979 11.00000 0.05 0.18 Q7 1 0.4421 0.0664 0.7105 11.00000 0.05 0.18 Q8 1 0.4491 0.5343 0.6523 11.00000 0.05 0.18 Q9 1 0.4877 0.3549 0.5971 11.00000 0.05 0.18 Q10 1 0.3419 -0.0266 0.6641 11.00000 0.05 0.18 Q11 1 0.6682 -0.2453 0.5828 11.00000 0.05 0.18 Q12 1 0.2907 -0.0861 0.6711 11.00000 0.05 0.18 Q13 1 0.5763 0.8247 0.6508 11.00000 0.05 0.17 Q14 1 0.2965 -0.0654 0.6321 11.00000 0.05 0.17 Q15 1 0.5388 0.1773 0.5432 11.00000 0.05 0.17 Q16 1 0.3649 0.1288 0.6699 11.00000 0.05 0.17 Q17 1 0.4192 0.2283 0.6493 11.00000 0.05 0.16 Q18 1 0.4889 0.1344 0.6964 11.00000 0.05 0.16 Q19 1 0.2028 -0.2906 0.6593 11.00000 0.05 0.15 Q20 1 0.6572 0.5602 0.7071 11.00000 0.05 0.15 ; _shelx_res_checksum 4415 _shelx_hkl_file ; 0 0 -2 109399. 700.430 13 0 0 -4 242980. 1507.68 13 0 0 -6 43048.3 607.463 13 0 0 -8 150405. 1398.78 13 0 0 -10 54841.1 883.534 13 0 0 -12 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502.005 95.0747 5 2 6 22 4517.05 258.091 5 2 6 24 73.8193 48.2158 5 2 6 26 2840.54 179.316 5 2 6 28 168.577 40.7542 5 2 6 30 60.1853 27.9481 5 -2 7 25 122.765 37.8563 5 -2 7 23 1501.32 118.674 5 -2 7 21 1414.67 127.197 9 -2 7 21 1478.89 129.420 5 -2 7 19 1713.28 143.125 9 2 7 -17 131.697 63.5857 8 -2 7 17 159.576 48.0752 9 2 7 -15 7059.58 308.618 8 -2 7 15 6830.38 295.863 9 2 7 -13 1572.59 153.927 8 -2 7 13 1798.94 154.039 9 2 7 -11-19.5737 46.4236 8 -2 7 11 47.7393 41.4771 9 -2 7 9 1740.43 149.110 9 2 7 -9 1965.03 176.104 8 -2 7 7 135.034 57.8709 4 2 7 -7 128.422 52.5568 8 2 7 -5 15973.4 498.611 8 -2 7 5 15630.4 473.103 4 -2 7 3 1110.72 125.806 4 -2 7 3 1352.03 150.731 8 -2 7 1 14371.6 473.038 8 2 7 -1 13663.0 470.664 8 -2 7 1 15207.0 449.668 4 -2 7 -1 15062.0 469.221 8 2 7 1 16231.5 517.561 8 -2 7 -3 7953.35 332.421 8 2 7 3 6794.68 337.963 8 2 7 5 774.527 118.294 8 -2 7 -5 729.631 104.307 8 -2 7 -7 4416.13 238.740 8 -2 7 -9 1561.21 140.922 8 -2 7 -11 34177.7 652.857 8 2 7 13 1194.34 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42.6738 9 -6 6 22 2318.54 173.235 9 -6 6 20 28.2659 37.3665 9 -6 6 18 7904.93 344.752 9 6 6 -18 8556.16 365.631 8 6 6 -16 23765.0 608.601 8 -6 6 16 23295.3 603.950 9 -6 6 14 3843.04 248.278 9 6 6 -14 3261.22 229.482 8 -6 6 14 3780.31 255.342 4 -6 6 12 259.353 79.2629 9 6 6 -12 114.117 60.2711 8 -6 6 12 205.417 72.4178 4 -6 6 10 106.969 54.1410 9 6 6 -10 107.543 54.3817 8 -6 6 10 80.7275 46.8785 4 6 -6 -10 34.8266 150.903 13 -6 6 8 650.173 105.026 9 6 6 -8 602.816 97.5620 8 -6 6 8 580.104 97.1382 4 -6 6 6 241.690 62.2789 3 -6 6 6 303.432 69.2577 9 6 6 -6 209.064 66.5724 8 -6 6 6 357.066 81.7730 4 6 6 -4 3695.84 237.100 8 -6 6 4 3528.68 241.265 4 -6 6 4 3305.74 222.159 3 -6 6 4 3343.33 212.539 9 -6 6 2 1898.89 168.268 3 6 6 -2 1906.03 178.513 8 6 6 0 21344.1 582.588 8 -6 6 0 21122.7 565.798 3 -6 -6 -2 5554.53 564.630 13 6 6 2 6445.85 319.561 8 -6 6 -4 1704.73 162.596 3 6 6 4 1466.81 154.597 8 -6 -6 -4 1194.45 280.691 13 6 6 6 7501.99 348.119 8 -6 6 -6 7431.28 341.033 3 -6 -6 -6 6685.93 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2346.43 123.354 8 7 0 -35 4.06499 21.5534 2 7 0 -33 8.62616 34.3457 2 7 0 -31 1.65727 32.9603 2 7 0 -29 34.9719 40.2252 7 7 0 -27 154.459 97.3663 7 7 0 -25 115.462 69.3470 10 7 0 -25-21.5653 49.0015 7 7 0 -23 32.0308 126.595 10 7 0 -23 80.7883 42.6290 7 7 0 -21-1.35812 35.8139 7 7 0 -21 1.75556 56.7351 10 7 0 -19 52.9222 74.7765 10 7 0 -19-1.65512 24.6733 7 7 0 -17-20.0023 71.2563 10 7 0 -15-52.8129 85.9929 10 7 0 -13 2.72544 71.6745 10 7 0 -11 19.5646 50.4678 10 7 0 -9 31.4844 62.3458 10 7 0 -7 37.8257 62.3727 10 7 0 -5 36.1687 38.4257 10 7 0 -3 84.9733 63.0700 11 7 0 -3 93.9244 36.8895 10 7 0 -1-4.52706 62.9778 11 7 0 1 54.5679 54.5463 11 7 0 3 34.6833 59.5146 11 -7 0 -3 110.566 72.5834 12 -7 0 -5 58.6554 48.3245 12 -7 0 -7 10.7786 36.2853 12 -7 0 -9 14.6270 46.3924 12 -7 0 -11 59.4710 55.3603 12 -7 0 -13 48.2638 55.3438 12 -7 0 -15 24.8178 32.8387 13 7 0 17 89.7910 42.3176 1 7 0 19-0.86752 46.8238 1 7 0 21 61.0086 56.7574 1 7 0 23-13.0650 37.3386 1 7 0 25 125.022 77.2668 1 7 0 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38665.5 684.584 9 7 -2 -17 38975.0 1512.16 13 7 2 -17 38613.5 686.638 7 7 2 -15 3904.30 389.562 11 7 -2 -15 3706.74 443.837 13 7 2 -13 321.157 122.227 11 7 -2 -13 104.310 56.6870 13 7 2 -11 195.138 89.3530 11 7 -2 -11 220.116 104.312 13 7 -2 -9 74917.5 1748.53 13 7 2 -9 76063.2 1570.72 11 7 2 -7 29455.3 945.055 11 7 -2 -7 29357.4 1021.52 13 7 2 -5 395.192 94.8363 11 7 -2 -5 379.434 113.889 13 7 2 -3 4616.40 364.233 11 7 -2 -3 4850.16 368.556 13 7 -2 -1 45408.7 1078.41 13 -7 -2 1 40222.2 556.558 12 7 -2 1 104600. 1694.31 11 7 -2 3 5645.89 373.716 11 7 -2 5 25389.9 776.619 11 -7 2 -5 26231.4 961.805 12 -7 2 -7 47550.5 1315.81 12 -7 2 -9 53297.0 1444.10 12 -7 2 -11 37697.8 1263.81 12 -7 2 -13 12.5858 56.9419 12 7 2 15 1567.71 146.548 5 -7 -2 -15 1468.37 248.770 13 -7 2 -15 1324.79 259.914 12 -7 -2 -17 242.547 97.3924 13 7 -2 17 306.345 74.0252 1 7 2 17 354.193 78.2098 5 7 2 17 297.476 66.5219 1 7 -2 19 3.03365 51.4461 1 7 2 19-18.1655 47.0695 5 7 2 19 56.0442 46.1350 1 -7 -2 -19 25.8901 58.1019 13 7 -2 21 5130.89 322.503 1 7 2 21 4772.21 282.283 5 7 2 21 4809.89 310.457 1 -7 -2 -21 4608.77 485.067 13 7 2 23 93.8850 49.6638 5 7 -2 23 90.4598 60.8205 1 7 2 23 31.7684 40.8251 1 7 -2 25-84.4777 53.6882 1 7 2 25 5.96852 41.6518 5 7 2 25 23.2581 40.8448 1 7 2 27 2046.05 187.717 5 7 2 27 2318.03 212.008 1 7 -2 27 2137.88 212.157 1 7 2 29 2943.28 228.613 1 7 -2 29 3110.53 244.941 1 7 2 31 183.731 47.5438 1 7 -2 31 295.063 80.2726 1 7 2 33 5564.49 248.558 1 7 -2 33 5381.74 271.807 1 7 -2 35 1393.82 117.326 1 7 3 -34 2991.11 150.975 2 7 3 -32 4.30799 25.3523 2 7 3 -30 810.430 105.899 2 -7 3 28 3459.53 202.738 9 7 3 -28 3845.87 229.334 7 7 3 -28 3868.18 228.554 2 -7 3 26 1154.87 123.815 9 7 3 -26 1202.12 135.095 7 -7 3 24 10849.8 389.577 9 7 3 -24 11128.8 406.333 7 -7 3 22 1999.71 168.410 9 7 3 -22 1304.10 145.702 7 7 -3 -22 1732.80 352.323 13 -7 3 20 75826.0 1082.01 9 7 3 -20 72232.5 1057.66 7 7 -3 -20 73903.2 2334.50 13 7 3 -18 4959.54 256.547 7 -7 3 18 4332.69 244.322 9 7 -3 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16558.7 993.828 13 7 3 20 16842.9 544.505 5 7 3 20 16557.5 550.715 1 7 -3 20 15760.0 560.236 1 7 3 22 34540.7 797.151 5 7 3 22 33616.7 793.896 1 7 -3 22 35312.8 852.591 1 7 3 24 2732.52 224.570 5 7 3 24 2720.44 218.657 1 7 -3 24 2475.87 225.509 1 7 3 26 4480.41 277.107 5 7 3 26 4247.20 261.117 1 7 -3 26 4163.77 285.001 1 7 3 28 2823.60 210.038 5 7 3 28 2487.49 184.331 1 7 -3 28 2588.52 213.691 1 7 -3 30 240.428 65.3943 1 7 -3 32 373.307 70.7924 1 7 -3 34 2837.44 151.838 1 7 4 -33 929.597 74.5994 2 7 4 -31 423.701 62.4030 2 -7 4 31 397.130 55.5549 5 -7 4 29 729.922 89.6366 9 7 4 -29 749.582 89.6846 2 7 4 -27 518.478 80.9776 2 -7 4 27 415.149 76.6362 9 7 4 -25 0.24431 29.2100 2 -7 4 25-9.06726 30.8992 9 7 4 -25-27.8213 27.2632 7 -7 4 23 6159.89 303.381 9 7 4 -23 6730.32 295.478 7 7 4 -23 6929.35 304.710 2 -7 4 21 8048.08 352.308 9 7 4 -21 7392.19 310.843 7 -7 4 19 13783.6 467.798 9 7 4 -19 15587.2 446.463 7 7 -4 -19 14104.4 1045.36 13 7 4 -17 20039.1 575.968 8 7 4 -17 19736.9 499.761 7 7 -4 -17 19684.0 1199.99 13 -7 4 17 20184.5 557.767 9 7 4 -15 207.183 62.1130 7 -7 4 15 381.802 79.9359 9 7 4 -15 467.923 105.046 8 7 -4 -15 224.494 122.725 13 -7 4 15 292.915 74.0932 4 -7 4 13 12.7914 32.5830 9 7 4 -13 35.8727 33.5300 8 7 4 -13 124.077 35.5265 7 -7 4 13 50.8172 36.9286 4 7 -4 -13 91.0319 117.540 13 7 4 -11 2435.44 182.716 8 -7 4 11 2318.60 178.503 4 7 -4 -11 2372.12 377.229 13 -7 4 9 19.5871 27.4542 3 7 4 -9 82.3915 32.8295 8 -7 4 9 58.8823 39.3708 4 7 -4 -9 72.9202 57.6999 13 7 -4 -7 95.9048 98.4572 13 -7 4 7 100.250 43.6888 3 7 4 -7 130.343 53.4776 8 7 -4 -5 22746.6 996.484 13 7 -4 -3 112.773 69.6488 13 7 -4 -1 18000.4 784.790 13 -7 4 -1 6667.66 574.644 12 -7 4 -3 1579.10 280.033 12 -7 4 -5 284.275 134.410 12 -7 4 -7 8352.81 351.827 3 -7 4 -7 7848.86 633.619 12 -7 4 -9-1.99320 72.8122 12 7 4 9 57.4629 33.4928 5 -7 4 -9 99.0500 52.9884 3 -7 4 -11 441.268 153.388 12 7 4 11 382.807 83.9782 5 -7 -4 -11 434.791 150.110 13 7 4 13 4480.59 260.915 5 -7 -4 -13 4512.20 514.512 13 -7 4 -13 3498.83 465.759 12 -7 4 -15 20097.9 1099.31 12 7 4 15 18522.3 551.482 5 -7 -4 -15 18653.6 1060.67 13 -7 -4 -17 16769.6 1044.55 13 7 4 17 17087.0 541.568 5 7 4 19 1822.76 181.347 5 -7 -4 -19 1758.19 343.631 13 7 4 21 2298.45 206.640 5 7 4 23 160.125 61.3670 5 7 4 25 6352.48 323.435 5 7 -4 25 5693.94 300.734 1 7 -4 27 2180.73 172.932 1 7 4 27 2588.90 198.923 5 7 -4 29 2896.76 180.390 1 -7 4 -31 15302.9 401.693 3 -7 4 -33 5371.26 191.225 3 -7 5 30 47.5503 28.2202 5 -7 5 28 2050.90 142.167 9 -7 5 26 2916.27 184.457 9 -7 5 24 2329.75 177.994 9 7 5 -24 1903.76 139.716 2 7 5 -22-28.9945 39.5127 2 -7 5 22 48.1907 35.0125 9 -7 5 20 935.034 127.855 9 -7 5 18 1441.79 155.839 9 7 5 -18 1343.45 163.988 8 -7 5 16 71.0602 50.9563 9 7 5 -16-4.66220 50.0065 8 -7 5 16-14.2886 29.2605 4 -7 5 14 8445.35 365.695 9 7 5 -14 8626.03 371.133 8 -7 5 14 8582.33 382.204 4 7 -5 -14 8930.10 823.653 13 -7 5 12 76.7876 44.0695 9 7 5 -12 59.2029 44.9057 8 -7 5 12 126.816 50.8062 4 7 -5 -12 15.0343 54.0265 13 -7 5 10 571.679 93.1126 9 7 5 -10 630.356 109.248 8 -7 5 10 507.705 91.9558 4 7 -5 -10 532.926 182.024 13 7 -5 -8 1963.16 344.663 13 7 5 -8 2119.93 180.596 8 -7 5 8 2089.00 181.327 4 -7 5 8 2145.54 177.449 3 7 -5 -6 2668.30 373.889 13 7 5 -6 3696.58 226.124 8 -7 5 6 2978.53 211.825 3 7 5 -4 22660.7 565.148 8 7 -5 -4 22774.5 1050.78 13 -7 5 4 22655.7 583.150 3 7 5 -2 3568.97 224.047 8 -7 5 2 4035.36 239.741 3 -7 5 2 3983.25 484.506 12 -7 5 0 227.255 69.1086 3 -7 5 0 147.386 81.1313 12 7 5 0 177.339 58.0665 8 -7 5 -2 993.391 226.125 12 7 5 2 1083.83 123.331 8 -7 5 -2 897.672 111.204 3 -7 5 -4 17.1965 25.9114 3 -7 5 -4-0.53086 49.4806 12 7 5 4 11.2713 38.8499 8 -7 -5 -6 1640.91 293.878 13 -7 5 -6 1721.20 310.172 12 -7 5 -6 1459.95 153.379 3 -7 5 -8-43.6981 55.0994 12 -7 -5 -8 172.116 89.1950 13 -7 5 -8 67.7389 43.2913 3 7 5 8 82.1604 38.2636 5 -7 5 -10 64379.3 1089.48 3 7 5 10 60982.5 971.160 5 -7 5 -10 64374.7 2012.24 12 -7 -5 -10 62061.5 1985.25 13 -7 5 -12 2737.21 225.768 3 7 5 12 1972.97 174.944 5 -7 -5 -12 1922.14 368.772 13 -7 5 -12 2585.86 400.549 12 -7 5 -14 1052.24 149.111 3 -7 5 -14 1115.93 266.937 12 7 5 14 1112.80 137.977 5 -7 -5 -14 1235.94 284.852 13 -7 5 -16 1097.55 148.267 3 7 5 16 1174.01 142.923 5 -7 5 -18 708.536 119.450 3 7 5 18 828.730 126.469 5 -7 5 -20 3222.41 254.557 3 7 5 20 3455.74 243.561 5 -7 5 -22 139.402 65.7093 3 7 5 22 104.593 49.4615 5 -7 5 -24 466.554 94.1081 3 7 5 24 628.469 98.4128 5 -7 5 -26 594.623 93.4751 3 7 5 26 642.690 94.8101 5 -7 5 -28 1764.83 135.376 3 -7 5 -30 652.995 69.3823 3 -7 6 27 612.491 71.9452 9 -7 6 25-15.4962 22.9766 9 -7 6 23 259.886 58.8469 9 -7 6 21 180.640 59.0049 9 -7 6 19 1552.14 145.458 9 -7 6 17 1453.73 147.593 9 7 6 -17 1495.12 158.053 8 -7 6 15 1419.85 151.909 9 7 6 -15 1668.48 161.360 8 -7 6 13 15185.0 487.832 9 7 6 -13 15235.9 499.795 8 -7 6 13 15629.6 515.720 4 -7 6 11 411.486 88.0273 9 7 6 -11 554.048 103.056 8 -7 6 11 395.622 91.1209 4 -7 6 9 210.222 71.2416 9 7 6 -9 246.416 72.2926 8 -7 6 9 155.683 63.8121 4 -7 6 7 4631.18 260.986 9 7 6 -7 5053.72 279.904 8 -7 6 7 4563.58 278.611 4 -7 6 5 4598.09 257.777 9 7 6 -5 4173.24 259.625 8 -7 6 5 4873.62 286.040 4 -7 6 5 4620.48 270.687 3 7 6 -3 1960.84 175.942 8 -7 6 3 2079.05 182.321 3 -7 6 1 363.890 79.7674 3 7 6 -1 329.713 72.0944 8 7 6 1 981.696 127.652 8 -7 6 -1 1082.97 132.774 3 -7 -6 -1 710.937 214.061 13 7 6 3 10664.8 407.826 8 -7 -6 -3 10013.2 779.311 13 -7 6 -3 10463.7 411.012 3 7 6 5 267.465 79.8853 8 -7 -6 -5-27.4613 70.6261 13 -7 -6 -7 28507.1 1375.71 13 7 6 7 30427.7 700.510 8 -7 6 -7 30808.6 725.357 3 7 6 9 1995.13 182.226 8 -7 6 -9 1415.36 158.454 3 7 6 11 5691.58 287.070 5 7 6 11 6111.23 314.253 8 -7 6 -13-51.2182 31.3081 3 7 6 13-9.45050 44.3782 5 7 6 15 1885.12 175.226 5 -7 6 -15 2590.88 263.253 3 7 6 17 1203.75 136.971 5 -7 6 -17 1042.67 131.012 3 -7 6 -19 136.688 50.0614 3 7 6 19 259.857 64.4752 5 -7 6 -21-29.4105 40.9605 3 7 6 21 29.1470 31.4272 5 7 6 23 1384.91 130.540 5 -7 6 -23 1140.33 116.321 3 -7 6 -25 164.402 40.3577 3 -7 7 24 206.548 39.4885 9 -7 7 24 251.793 43.3747 5 -7 7 22 10.0752 23.0739 9 -7 7 20 1704.98 128.035 9 -7 7 18 1620.55 133.768 9 -7 7 16 820.237 100.086 9 7 7 -16 717.288 113.585 8 -7 7 14 949.762 111.006 9 7 7 -14 822.039 119.996 8 -7 7 12 7306.27 308.613 9 7 7 -12 6960.70 326.006 8 -7 7 12 6814.95 323.894 4 -7 7 10 506.605 86.5454 9 7 7 -10 273.867 82.4645 8 -7 7 10 518.478 97.5161 4 -7 7 8 1080.88 122.067 9 7 7 -8 1072.80 136.286 8 -7 7 8 995.219 128.550 4 -7 7 6 8563.65 335.195 9 7 7 -6 9443.04 380.069 8 -7 7 6 8861.93 373.616 4 -7 7 4 5087.80 255.198 9 7 7 -4 4518.69 271.193 8 -7 7 4 5165.28 287.361 4 -7 7 2 11122.1 371.419 9 7 7 -2 11701.9 439.075 8 -7 7 2 11310.6 428.457 4 -7 7 2 11357.4 405.045 3 7 7 0 1133.61 144.138 8 -7 7 0 1385.71 152.410 4 -7 7 0 1470.84 150.147 3 7 7 2 2070.71 179.681 8 -7 7 -2 1720.71 157.861 3 7 7 4 5916.93 305.587 8 -7 7 -4 6746.95 313.747 3 7 7 6 892.555 121.023 8 -7 7 -6 867.830 113.051 3 -7 7 -8 594.068 93.8622 3 7 7 8 528.948 90.3142 8 7 7 10 3555.32 228.589 8 -7 7 -10 3312.24 213.330 3 7 7 12 1103.32 123.313 8 -7 7 -12 906.142 113.099 3 7 7 14 2475.56 181.164 8 -7 7 -14 3169.22 195.089 3 7 7 16 1004.74 107.904 8 -7 7 -16 942.728 102.552 3 -7 7 -18 23.1463 21.9226 3 7 7 18 46.7534 30.9185 8 7 7 20 1551.37 107.510 8 -7 8 17 63.4749 21.4327 9 -7 8 15 267.587 48.7046 9 -7 8 13 1469.83 106.691 9 7 8 -13 1604.11 131.212 8 -7 8 11 372.842 59.8495 9 7 8 -11 304.427 66.2853 8 -7 8 9 202.346 45.4682 9 7 8 -9 251.955 63.0073 8 7 8 -7 515.533 88.5733 8 -7 8 7 533.269 81.7603 4 7 8 -5 280.234 61.7781 8 -7 8 5 272.670 58.9664 4 7 8 -3 98.5920 53.1581 8 -7 8 3 1.09999 25.3019 4 7 8 -1 195.201 55.1602 8 -7 8 1 175.129 48.8276 4 7 8 1 3203.96 197.212 8 -7 8 -1 2675.80 175.058 4 7 8 3 436.046 77.9830 8 -7 8 -3 546.631 83.0268 4 7 8 5 1632.02 140.328 8 -7 8 -5 1398.49 119.824 4 7 8 7 263.771 58.8643 8 -7 8 -7 285.111 56.1117 4 7 8 9 391.035 70.1027 8 7 8 11 146.758 43.5772 8 7 8 13 1451.25 113.253 8 7 8 15 273.549 50.3050 8 7 9 -8 677.045 68.5566 8 7 9 -6 66.8261 22.5517 8 7 9 -4 51.7358 32.4349 8 7 9 -2 1018.81 87.1950 8 7 9 0 215.893 45.8676 8 7 9 2 536.282 62.7916 8 7 9 4 2398.87 126.056 8 7 9 6 2198.48 118.083 8 7 9 8 1315.32 85.4324 8 8 0 -34 2680.45 151.332 2 8 0 -32 263.364 54.6475 2 8 0 -30 2499.53 187.028 7 8 0 -28 217.782 56.2530 7 8 0 -26 46.5378 39.9492 7 8 0 -24 59866.8 2079.52 10 8 0 -24 57669.3 950.995 7 8 0 -22 9002.87 769.881 10 8 0 -22 9394.04 360.419 7 8 0 -20 899.760 243.983 10 8 0 -20 879.314 104.370 7 8 0 -18 3173.23 421.041 10 8 0 -18 3124.78 191.706 7 8 0 -16 19025.5 954.847 10 8 0 -16 17871.4 444.453 7 8 0 -14 157.852 95.8502 10 8 0 -12 3186.22 342.141 10 8 0 -10 282447. 3172.67 10 8 0 -8 5020.60 357.891 10 8 0 -6 228.834 64.2790 10 8 0 -6 134.277 68.9946 11 8 0 -4 64098.8 1447.04 11 8 0 -4 62491.8 1006.98 10 8 0 -2 65.1355 61.3401 11 8 0 0 28982.1 943.868 11 8 0 2 17705.2 731.913 11 8 0 4 396.006 121.860 11 -8 0 -4 184.923 81.6823 12 -8 0 -6 378037. 3551.28 12 -8 0 -8 15410.2 666.804 12 -8 0 -10 300257. 3348.34 12 -8 0 -12 17052.6 779.766 12 8 0 16 1618.71 169.950 1 8 0 18 3491.92 263.100 1 8 0 20 1248.19 162.686 1 8 0 22 8950.10 439.132 1 8 0 24 90108.0 1478.03 1 8 0 26 9753.25 472.470 1 8 0 28 3274.97 269.834 1 8 0 30 4574.56 298.177 1 8 0 32 107.826 55.7890 1 8 0 34 446.431 78.0470 1 8 0 36 79.1456 32.9830 1 8 1 -35 1333.20 101.523 2 8 -1 -33 1782.56 121.789 2 8 1 -33 1835.58 139.354 2 8 1 -31 32.9747 34.4794 2 8 -1 -31 12.5004 29.0505 2 8 -1 -29 2785.49 189.147 7 8 1 -29 2664.29 199.851 7 8 -1 -27 208.311 62.0216 7 8 1 -27 164.179 64.4575 7 8 -1 -25 21953.8 554.958 7 8 1 -25 23737.8 602.871 7 8 -1 -23 13086.1 947.709 10 8 -1 -23 14412.3 444.243 7 8 1 -23 14020.4 460.446 7 8 -1 -21 106.423 98.5676 10 8 -1 -21 228.018 60.1453 7 8 1 -21 201.659 61.4723 7 8 1 -19 11625.7 792.560 11 8 -1 -19 12954.3 860.547 10 8 -1 -19 11662.2 377.898 7 8 1 -19 13016.6 405.096 7 8 -1 -19 12800.8 890.703 13 8 1 -17 151.859 72.8595 10 8 1 -17 176.100 106.024 11 8 -1 -17 261.447 107.595 10 8 -1 -17 317.182 65.8713 7 8 1 -17 251.869 63.6122 7 8 -1 -17 282.260 147.714 13 8 1 -15 62.8705 70.4470 11 8 1 -15 104.591 79.8421 10 8 -1 -15-22.6038 69.2954 13 8 1 -13 2883.87 357.002 10 8 1 -13 3061.85 363.712 11 8 -1 -13 2875.94 378.917 13 8 -1 -11 1757.36 284.876 13 8 1 -11 1580.89 248.547 11 8 1 -9 407.731 143.826 11 8 -1 -9 440.400 152.217 13 8 -1 -7 21363.6 880.842 13 8 1 -7 22167.6 877.953 11 8 1 -5 144519. 2266.78 11 8 1 -3 423.619 133.984 11 8 1 -1 8694.79 526.669 11 8 -1 -1 8689.58 515.185 11 8 -1 1 14549.8 659.940 11 8 1 1 14353.7 679.523 11 -8 -1 -3 32345.7 767.875 12 8 -1 3 30586.9 949.961 11 8 -1 5 55126.4 1274.26 11 -8 1 -5 55802.0 1357.66 12 -8 -1 -5 52664.0 1027.59 12 -8 1 -7 47750.3 1274.41 12 -8 -1 -7 48559.3 1049.32 12 -8 -1 -9 512.601 119.516 12 -8 1 -9 486.565 145.215 12 -8 1 -11 20211.4 893.499 12 -8 1 -13 38799.4 1295.96 12 -8 -1 -15 33452.5 1081.79 13 -8 1 -15 32512.2 1203.45 12 8 1 17 3983.85 245.601 5 8 1 17 3868.93 264.061 1 -8 -1 -17 3962.65 380.418 13 8 -1 17 3816.44 268.378 1 8 1 19 1113.87 133.942 5 8 1 19 1004.78 143.506 1 8 -1 19 1148.09 151.911 1 8 1 21 3255.99 263.209 1 8 -1 21 2969.35 249.973 1 8 1 21 2822.93 222.087 5 8 -1 23 868.565 148.925 1 8 1 23 973.937 155.917 1 8 1 25 4399.24 314.472 1 8 -1 25 3984.25 302.537 1 8 1 27 712.025 123.632 1 8 -1 27 874.626 145.499 1 8 -1 29 133.006 69.3672 1 8 1 29 26.9089 45.3224 1 8 1 31 69.0649 42.1607 1 8 -1 31 200.459 67.5614 1 8 1 33 809.643 105.069 1 8 -1 33 959.723 123.258 1 8 -1 35 2787.94 171.528 1 8 1 35 2801.01 158.753 1 8 2 -34 30.2731 29.5374 2 8 2 -32 441.253 73.3082 2 8 2 -30 426.579 78.9699 7 8 2 -30 615.012 92.9145 2 8 2 -28 308.605 70.6941 7 8 -2 -26 693.453 95.7186 7 8 2 -26 754.880 110.305 7 -8 2 24 87.4135 38.8128 9 8 -2 -24 83.8851 36.9232 7 8 2 -24 170.917 62.0584 7 8 -2 -22 9340.22 801.570 10 -8 2 22 9207.21 343.872 9 8 -2 -22 8389.29 324.759 7 8 2 -22 8721.53 362.466 7 8 -2 -22 8476.24 777.686 13 8 -2 -20 16162.4 438.092 7 8 2 -20 16122.1 483.923 7 8 -2 -20 16134.7 1050.84 13 -8 2 20 16474.3 461.187 9 -8 2 18 373.566 71.3162 9 8 -2 -18 460.540 71.9985 7 8 2 -18 432.169 80.6755 7 8 -2 -18 297.744 142.159 13 -8 2 16 16246.7 436.135 9 8 -2 -16 16474.0 988.471 13 8 2 -16 16074.2 435.819 7 8 2 -14 8783.76 612.119 11 8 2 -14 8655.58 303.283 7 8 -2 -14 8253.08 674.704 13 8 2 -12 725.893 170.012 11 8 -2 -12 418.902 158.919 13 8 2 -10 3112.84 339.742 11 8 -2 -10 2967.18 371.776 13 8 2 -8 3442.04 349.322 11 8 -2 -8 3329.28 367.426 13 8 2 -6 7981.83 522.809 11 8 -2 -6 8036.63 543.927 13 8 2 -4 20946.7 840.313 11 8 -2 -4 18816.8 791.800 13 8 -2 -2 27127.7 924.463 13 8 -2 0 3544.57 342.572 11 8 -2 2 55757.2 1311.54 11 8 -2 4 23691.2 824.493 11 -8 2 -4 23681.8 966.873 12 8 -2 6 1428.97 197.855 11 -8 2 -6 1432.26 236.635 12 -8 2 -8 1878.63 281.530 12 -8 2 -10 754.214 178.613 12 -8 2 -12 3584.76 409.401 12 -8 2 -14-8.57161 52.1502 12 8 2 14 56.4477 38.9582 5 8 2 16 2143.20 185.952 5 8 2 16 2205.98 193.490 1 8 -2 16 2090.84 193.385 1 -8 -2 -16 1969.17 304.411 13 -8 2 -16 1909.51 316.524 12 8 -2 18 36.5651 45.0133 1 8 2 18 69.3661 52.4012 5 8 2 18-40.1319 50.9059 1 -8 -2 -18 1.79581 63.0685 13 8 2 20 58348.5 1028.46 5 -8 -2 -20 55689.4 1703.75 13 8 2 20 59660.6 1120.96 1 8 -2 20 59279.7 1126.42 1 8 2 22 14704.2 514.654 5 8 2 22 15261.1 567.682 1 8 -2 22 16444.2 599.489 1 8 2 24 2602.85 234.939 1 8 -2 24 2546.40 239.623 1 8 2 24 2638.62 222.486 5 8 2 26 12718.3 501.312 1 8 -2 26 11638.4 506.467 1 8 2 28 723.331 118.176 1 8 -2 28 952.413 138.918 1 8 2 30 2010.38 179.749 1 8 -2 30 1957.41 187.960 1 8 -2 32 693.002 101.603 1 8 2 32 752.728 96.4071 1 8 -2 34 943.492 102.390 1 8 3 -33 2560.51 144.806 2 8 3 -31 695.648 88.7077 2 -8 3 29 28.1629 22.9225 9 8 3 -29 72.3405 38.6364 2 8 3 -27 434.374 82.8912 7 -8 3 27 330.995 66.8709 9 8 3 -27 447.582 81.0982 2 -8 3 25 571.137 90.0486 9 8 3 -25 328.612 80.4356 7 -8 3 23 323.196 66.6855 9 8 3 -23 487.530 94.4697 7 -8 3 21 15407.4 472.277 9 8 -3 -21 15955.0 1102.43 13 8 3 -21 16742.1 489.834 7 8 -3 -19 14.6267 74.0470 13 -8 3 19 188.150 55.4933 9 8 3 -19 175.821 59.0111 7 -8 3 17 73086.1 1045.04 9 8 3 -17 76052.2 1016.46 7 8 -3 -17 73386.6 2273.95 13 8 3 -15 4783.78 243.676 7 -8 3 15 6263.12 284.479 9 8 3 -15 5398.82 280.631 8 -8 3 15 6244.49 288.427 4 8 -3 -15 5249.56 589.592 13 8 3 -13 3258.26 186.291 7 8 3 -13 3152.02 198.856 8 -8 3 13 3011.50 197.190 4 8 -3 -13 2600.61 390.509 13 8 3 -11 17266.9 451.480 8 -8 3 11 16646.9 452.613 4 8 -3 -11 17080.0 975.765 13 8 -3 -9 4950.02 496.717 13 8 -3 -7 273.889 129.216 13 8 -3 -5 3645.63 385.202 13 8 -3 -3 38835.0 1183.26 13 8 -3 -1 1685.80 230.934 13 8 -3 1 20378.0 812.207 11 8 -3 3 891.607 161.313 11 -8 3 -3 926.896 215.192 12 8 -3 5 590.534 125.339 11 -8 3 -5 544.099 148.152 12 -8 3 -7 28557.7 1176.38 12 -8 3 -9 24010.0 1090.17 12 8 3 11 15139.7 454.374 5 -8 3 -11 14991.4 898.963 12 8 3 13 77.2154 47.7849 5 8 3 13 321.533 95.0151 1 -8 -3 -13 399.371 180.023 13 -8 3 -13 145.497 107.094 12 -8 3 -15 163.591 118.812 12 -8 -3 -15 121.871 61.3233 13 8 3 15 308.320 83.7270 5 8 3 15 366.711 80.6819 1 8 -3 15 177.336 64.2049 1 -8 3 -17 10444.0 805.047 12 8 3 17 11834.1 445.637 5 8 3 17 11095.6 442.674 1 8 -3 17 10194.2 434.790 1 -8 -3 -17 11274.6 794.969 13 8 3 19 125.601 69.8205 1 8 3 19 174.010 67.8460 5 -8 -3 -19 2.87562 76.7426 13 8 -3 19 178.761 73.8164 1 8 3 21 6063.13 336.747 5 8 3 21 6037.79 337.000 1 8 -3 21 6048.05 352.550 1 -8 -3 -21 5375.61 573.678 13 8 3 23 1498.90 168.012 5 8 3 23 1407.28 165.948 1 8 -3 23 1302.12 164.890 1 8 3 25 2974.40 225.924 5 8 3 25 3438.12 249.254 1 8 -3 25 3061.31 244.613 1 8 -3 27 216.500 75.7550 1 8 3 27 115.790 49.8710 1 8 -3 29 30.7032 36.3366 1 8 -3 31 63.8429 41.3566 1 8 -3 33-25.9199 21.4607 1 8 4 -32 2780.02 129.413 2 8 4 -30 27.6816 28.3582 2 -8 4 28 1581.60 129.758 9 8 4 -28 1580.77 128.912 2 -8 4 26 923.595 108.274 9 8 4 -26 780.945 101.244 7 8 4 -26 929.171 106.464 2 -8 4 24 3556.57 222.575 9 8 4 -24 3840.90 220.378 7 8 4 -24 3869.42 223.524 2 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10 -3 31 1594.79 122.379 1 -10 3 -33 67.0609 27.5749 3 10 4 -30 59.6028 24.6375 2 -10 4 28 867.716 83.3229 9 10 4 -28 901.519 90.2542 2 -10 4 26 3969.83 201.409 9 10 4 -26 4417.07 209.326 7 10 4 -26 4119.89 203.402 2 -10 4 24 360.822 73.7002 9 10 4 -24 229.615 56.5014 7 10 4 -24 165.083 56.3006 2 -10 4 22 334.018 68.6464 9 10 4 -22 348.037 73.3303 7 -10 4 20 8036.14 346.388 9 10 4 -20 8522.74 332.359 7 -10 4 18 20029.1 562.337 9 10 4 -18 20224.5 525.387 7 -10 4 16 78081.1 1145.74 9 -10 4 16 76029.4 1144.34 4 10 4 -16 80227.0 1055.02 7 -10 4 14 748.616 110.278 4 10 4 -14 383.235 96.0287 8 10 4 -14 486.521 86.3414 7 10 -4 -14 526.880 191.190 13 10 4 -12 412.230 78.1969 8 -10 4 12 568.139 98.2175 4 10 4 -12 433.335 79.8626 7 10 -4 -12 304.851 178.242 13 10 4 -10 677.180 100.803 8 -10 4 10 845.067 112.901 4 10 4 -10 626.640 86.4449 7 10 -4 -10 559.293 182.060 13 10 4 -8 16541.3 461.452 8 -10 4 8 16137.9 492.292 3 10 -4 -8 15898.1 991.975 13 10 4 -6 6002.45 276.087 8 -10 4 6 6726.17 314.985 3 10 -4 -6 6493.93 604.557 13 10 -4 -4 1040.42 250.569 11 10 4 -4 1278.12 121.078 8 -10 4 4 1096.41 130.435 3 10 -4 -2 1750.77 298.500 11 10 4 -2 2105.66 157.187 8 -10 4 2 1985.49 171.920 3 -10 4 0 357.671 72.0640 3 10 4 0 151.755 42.9424 8 -10 4 0 415.202 170.030 12 10 4 2 3787.83 205.917 8 -10 4 -2 4008.60 246.924 3 -10 4 -2 3991.62 508.082 12 -10 4 -4 1058.47 263.724 12 -10 4 -4 1280.32 145.684 3 -10 4 -6 22079.8 1188.29 12 -10 4 -6 21688.9 607.149 3 -10 4 -8 11723.2 454.365 3 -10 4 -8 11703.0 881.401 12 -10 4 -10 3539.86 257.445 3 10 4 10 3494.37 235.110 5 -10 4 -10 3622.15 499.900 12 -10 4 -12 4763.21 305.103 3 10 4 12 3912.88 260.642 5 -10 -4 -12 3928.49 497.941 13 -10 4 -12 4716.82 591.047 12 -10 4 -14 157.944 104.814 12 10 4 14 180.678 69.2994 5 -10 4 -14 221.354 66.8657 3 -10 -4 -14 224.549 127.885 13 -10 4 -16 5586.50 343.868 3 10 4 16 5619.04 325.324 5 10 4 18 66.8723 60.5771 5 -10 4 -18 160.197 72.2435 3 10 4 20 322.479 96.0696 5 -10 4 -20 277.866 94.7235 3 -10 4 -22 6697.46 362.048 3 -10 4 -24 3068.56 232.006 3 -10 4 -26 1428.87 148.982 3 -10 4 -28 1395.99 130.219 3 -10 4 -30 1431.12 114.147 3 -10 5 27 96.9664 29.6899 9 -10 5 25 1726.76 129.760 9 -10 5 23 12328.6 375.941 9 -10 5 21 12.1177 28.4844 9 -10 5 19 1618.22 153.737 9 -10 5 17 2591.27 199.494 9 -10 5 15 82.1485 47.5306 9 10 5 -15 125.214 83.2503 8 -10 5 15 34.6253 39.1845 4 -10 5 13 5926.23 304.378 9 10 5 -13 5917.19 311.480 8 -10 5 13 5684.75 309.861 4 -10 5 11 11108.0 419.166 9 10 5 -11 11109.6 417.118 8 -10 5 11 10969.2 428.734 4 10 5 -9 11222.9 421.386 8 -10 5 9 12023.4 456.696 4 10 -5 -9 12630.2 933.543 13 10 5 -7 1244.88 139.143 8 -10 5 7 1452.17 158.002 3 10 5 -5 7145.70 316.278 8 -10 5 5 7042.77 343.138 3 -10 5 3 598.475 104.277 3 10 5 -3 727.840 101.937 8 -10 5 3 655.500 216.692 12 10 5 -1 1824.42 157.681 8 -10 5 1 2056.35 183.993 3 -10 5 1 2137.21 413.221 12 10 5 1 4486.70 241.695 8 -10 5 -1 4380.80 272.352 3 -10 5 -1 4568.86 566.791 12 -10 5 -3 853.763 241.211 12 10 5 3 1320.28 131.504 8 -10 5 -3 963.414 133.792 3 10 5 5 1857.93 159.550 8 -10 5 -5 2192.78 194.588 3 -10 5 -5 2400.37 407.057 12 10 5 7 2574.28 178.676 8 -10 -5 -7 2194.27 394.826 13 -10 5 -7 2679.59 220.253 3 -10 5 -7 2523.96 425.054 12 -10 5 -9 285.059 147.011 12 -10 5 -9 182.175 65.1455 3 -10 -5 -9 473.904 198.956 13 -10 5 -11 896.446 129.153 3 -10 5 -13 179.975 73.6092 3 -10 5 -15 13591.9 515.469 3 10 5 15 12344.6 465.083 5 -10 5 -17 2279.68 210.918 3 -10 5 -19 2283.23 210.202 3 -10 5 -21 6468.47 328.256 3 -10 5 -23 26.4339 36.6963 3 -10 5 -25 11605.4 372.051 3 -10 5 -27 327.162 55.2777 3 -10 6 24 18.7986 26.8319 9 -10 6 22-16.5973 24.0271 9 -10 6 20-10.5158 29.5469 9 -10 6 18 821.690 105.581 9 -10 6 16 776.237 109.794 9 -10 6 14 7238.35 325.718 9 10 6 -14 6433.60 317.278 8 -10 6 14 6961.85 329.467 4 -10 6 12 178.511 56.6555 9 10 6 -12 266.894 90.0128 8 -10 6 12 172.385 57.3603 4 -10 6 10 67.3762 39.0899 9 10 6 -10 77.3321 65.3071 8 -10 6 10 72.6792 49.4325 4 -10 6 8 4372.66 257.462 9 10 6 -8 4472.25 258.815 8 -10 6 8 4474.16 277.175 4 10 6 -6 1396.79 145.251 8 -10 6 6 1870.70 182.490 4 -10 6 6 1846.70 171.427 3 -10 6 4 38.0680 38.0301 3 10 6 -4 88.7884 61.0958 8 10 6 -2 2008.28 183.441 8 -10 6 2 2528.09 202.922 3 10 6 0 1483.67 143.607 8 -10 6 0 1180.59 142.269 3 -10 6 -2 359.260 94.8353 3 10 6 2 449.293 85.4688 8 10 6 4 2554.53 188.904 8 -10 6 -4 2651.85 211.268 3 -10 6 -6 167.992 56.7183 3 10 6 6 271.854 60.6904 8 10 6 8 1390.93 130.614 8 -10 6 -8 1122.35 143.679 3 10 6 10 4296.89 236.396 8 -10 6 -10 5007.20 296.465 3 10 6 12 1910.07 152.951 8 -10 6 -12 1606.01 169.943 3 -10 6 -14 643.277 110.232 3 -10 6 -16 80.5052 48.3680 3 -10 6 -18 5177.47 274.296 3 -10 6 -20 429.167 73.4363 3 -10 6 -22-50.5462 36.8573 3 -10 6 -24 1560.43 109.343 3 -10 7 21 172.691 38.1285 9 -10 7 19 2995.56 152.683 9 -10 7 17 36.0701 28.0045 9 -10 7 15 553.603 76.7356 9 -10 7 13 8511.94 306.733 9 10 7 -13 8819.67 328.868 8 -10 7 11 4918.53 243.389 9 -10 7 11 4922.27 254.812 4 -10 7 9 3069.88 196.246 9 10 7 -9 3260.20 203.771 8 -10 7 9 3082.40 209.676 4 -10 7 7 436.698 78.5228 9 10 7 -7 287.351 80.4829 8 -10 7 7 438.410 85.4088 4 -10 7 5 542.125 83.4584 9 10 7 -5 580.347 92.4800 8 -10 7 5 577.693 96.0242 4 -10 7 3 151.668 44.0530 9 10 7 -3 275.708 67.9458 8 -10 7 3 201.229 65.5016 4 -10 7 1 3525.54 201.645 9 10 7 -1 3456.58 219.422 8 -10 7 1 3396.98 229.337 4 -10 7 1 3540.00 224.141 3 -10 7 -1 82.5181 45.9027 3 -10 7 -1 115.314 53.8025 9 10 7 1 67.4202 31.0342 8 -10 7 -3 1010.04 103.362 9 10 7 3 718.293 100.241 8 -10 7 -3 1106.03 128.833 3 10 7 5 8194.83 315.106 8 -10 7 -5 8189.82 342.968 3 10 7 7 3930.67 217.630 8 -10 7 -7 2961.70 203.358 3 10 7 9 14702.7 404.708 8 -10 7 -9 16849.7 476.342 3 10 7 11 2930.67 168.933 8 -10 7 -11 2347.74 171.903 3 -10 7 -13 255.896 56.2174 3 10 7 13 275.425 56.4733 8 -10 7 -15 432.359 70.3974 3 -10 7 -17 7.15017 23.8169 3 -10 7 -19 44.2347 19.0900 3 -10 8 12 388.247 49.2091 9 -10 8 10-23.8972 26.9698 9 10 8 -10-19.5751 36.0861 8 -10 8 8 631.765 66.2119 9 10 8 -8 708.094 86.6725 8 10 8 -6-51.7811 34.6282 8 -10 8 6 41.9168 34.5085 4 10 8 -4 86.5530 40.0128 8 -10 8 4 125.595 39.6800 4 10 8 -2 422.372 68.5473 8 -10 8 2 438.605 69.2880 4 10 8 0 122.365 41.0199 8 -10 8 0 158.531 48.6703 4 -10 8 -2 674.959 85.6073 4 10 8 2 536.067 72.4619 8 10 8 4 246.079 50.3409 8 -10 8 -4 444.719 66.7345 4 10 8 6 1305.36 102.553 8 -10 8 -6 1380.93 111.681 4 -10 8 -8 57.1007 27.6587 3 10 8 8 45.5388 25.9853 8 -10 8 -8 36.1322 17.6316 4 10 8 10 873.807 71.6729 8 -10 8 -10 805.097 72.2397 3 11 0 -33 25.9476 22.9378 2 11 0 -31-40.4797 31.1528 2 11 0 -29 43.8153 32.4250 7 11 0 -27 41.0578 33.9837 7 11 0 -25-13.9904 38.5406 7 11 0 -23 12.2231 36.0965 7 11 0 -21-135.394 144.781 11 11 0 -21-16.2756 33.3370 7 11 0 -19-93.8192 85.9914 11 11 0 -19 132.485 94.1061 10 11 0 -19 102.608 48.1203 7 11 0 -17-86.6584 91.4359 11 11 0 -17 13.0601 79.3122 10 11 0 -17 6.66006 36.2761 7 11 0 -15-59.2454 98.1322 11 11 0 -15 23.3907 70.9813 10 11 0 -15 37.0907 26.4046 7 11 0 -13 79.2622 111.299 11 11 0 -13 11.3509 25.8652 6 11 0 -13 49.2844 85.9101 10 11 0 -11 4.87281 84.0811 11 11 0 -11 48.3041 32.9987 6 11 0 -11 50.6511 88.0345 10 11 0 -9-21.7210 92.1851 11 11 0 -7-11.5087 58.2172 11 11 0 -5-4.14116 84.5366 11 11 0 -3-5.76993 78.8543 11 11 0 -1 29.5947 77.8317 11 11 0 1-26.7643 68.3337 11 11 0 3 133.707 106.893 11 -11 0 -3 51.7063 61.9410 12 -11 0 -5 34.1765 56.8099 12 -11 0 -7 3.88896 50.2576 12 -11 0 -9 18.0855 59.5244 12 -11 0 -11-54.6218 57.1930 12 11 0 11 76.5129 50.0992 1 -11 0 -13-0.40971 83.4598 12 11 0 13 34.1780 35.5138 1 11 0 15-33.8748 54.2366 1 11 0 17-19.4603 44.5797 1 11 0 19 4.99873 48.8716 1 11 0 21-15.1066 44.8314 1 11 0 23 74.7054 74.8743 1 11 0 25 17.6970 50.2955 1 11 0 27-36.5711 51.9222 1 11 0 29-51.6187 66.2393 1 11 0 31-13.6174 38.5448 1 11 0 33-8.09368 29.4845 1 11 1 -34 25.0415 22.6120 2 11 -1 -32 35.7604 24.5073 2 11 1 -32 118.295 42.2815 2 11 1 -30 271.940 61.2549 7 11 -1 -28 1001.78 110.268 7 11 1 -28 1026.51 121.480 7 11 -1 -26 536.309 86.5674 7 11 1 -26 653.801 99.0768 7 11 -1 -24 602.558 93.4452 7 11 1 -24 655.156 104.951 7 11 -1 -22 21.0791 35.7697 7 11 1 -22 159.464 66.8393 7 11 -1 -20 8568.31 740.784 10 11 -1 -20 8712.30 338.358 7 11 1 -20 8396.25 350.352 7 11 1 -18 809.791 238.960 11 11 -1 -18 770.772 223.046 10 11 -1 -18 1120.72 118.071 7 11 1 -18 899.334 117.665 7 11 1 -16 5125.82 589.744 11 11 -1 -16 4898.81 508.277 10 11 -1 -16 5071.66 247.715 7 11 1 -16 5137.36 260.198 7 11 1 -14 5030.32 557.779 11 11 -1 -14 4320.96 447.849 10 11 -1 -14 3944.57 216.454 7 11 1 -14 4309.68 239.509 6 11 1 -12 7638.38 667.941 11 11 -1 -12 7616.02 565.072 10 11 -1 -12 7871.00 322.688 6 11 1 -12 7176.93 305.364 6 11 -1 -10 370.443 145.513 11 11 1 -10 445.602 154.710 11 11 -1 -10 426.325 73.0496 6 11 1 -10 488.480 77.0846 6 11 -1 -10 452.942 126.926 10 11 -1 -8 14178.5 877.510 11 11 1 -8 15094.3 884.688 11 11 1 -6 3180.82 397.723 11 11 -1 -6 3411.45 418.970 11 11 -1 -4 3897.33 434.896 11 11 1 -4 3732.11 423.372 11 11 -1 -2 181.817 106.698 11 11 1 -2 117.663 107.893 11 11 -1 0 599.079 150.774 11 -11 -1 0 835.319 159.422 12 11 1 0 601.235 188.586 11 -11 -1 -2 326.869 91.1664 12 11 -1 2 105.679 96.0810 11 -11 1 -2 227.877 119.751 12 11 -1 4 7974.49 596.791 11 -11 -1 -4 7708.72 461.651 12 -11 1 -4 8162.10 604.414 12 -11 1 -6 1842.49 294.155 12 -11 -1 -6 1499.23 212.634 12 -11 1 -8 249.023 120.084 12 11 1 10 9384.26 399.689 1 11 -1 10 8714.08 383.905 1 -11 1 -10 8915.46 662.696 12 11 1 12 44607.9 915.436 1 11 -1 12 44518.3 911.041 1 -11 1 -12 44128.0 1539.78 12 11 1 14 2131.28 205.551 1 11 -1 14 2106.48 201.672 1 -11 1 -14 1987.68 321.167 12 -11 1 -16 601.571 183.221 12 11 1 16 615.746 120.863 1 11 -1 16 651.180 120.219 1 11 1 18 657.467 122.533 1 11 -1 18 397.104 100.944 1 11 1 20 5397.51 354.401 1 11 -1 20 4992.06 346.458 1 11 1 22 1317.71 183.076 1 11 -1 22 1333.68 178.952 1 11 1 24 4015.02 300.176 1 11 -1 24 4081.06 306.015 1 11 -1 26 288.886 83.1298 1 11 1 26 249.762 75.6009 1 11 1 28 8668.82 392.166 1 11 -1 28 8606.92 400.220 1 11 1 30 864.963 114.480 1 11 -1 30 826.711 116.477 1 11 1 32-4.51581 36.9786 1 11 -1 32-21.2235 37.5124 1 11 -1 34 630.166 70.9943 1 11 2 -33 3332.35 148.337 2 11 2 -31 15.1341 30.9871 2 11 2 -29-5.68843 36.2616 7 11 2 -27 930.609 112.494 7 11 -2 -25 1957.96 146.165 7 11 2 -25 2383.67 186.067 7 11 -2 -23 200.194 58.4809 7 11 2 -23 346.169 81.7137 7 11 -2 -21 16457.4 449.560 7 11 2 -21 16689.8 498.952 7 11 -2 -19 6759.84 652.164 10 -11 2 19 7346.75 306.205 9 11 -2 -19 7615.57 302.146 7 11 2 -19 7241.27 328.292 7 11 -2 -17 11190.9 794.398 10 -11 2 17 11372.4 380.974 9 11 -2 -17 11376.6 364.670 7 11 2 -17 12391.9 411.602 7 11 2 -15 56.9891 38.4842 6 11 2 -15 68.2661 89.2901 11 11 -2 -15-18.4014 69.2664 10 11 -2 -15 119.980 43.8718 7 11 2 -15-22.1101 30.2293 7 11 2 -13 4415.58 494.788 11 11 -2 -13 3936.35 430.760 10 11 -2 -13 4368.08 213.229 7 11 2 -13 4405.11 237.688 6 11 -2 -11 474.147 86.1518 6 11 2 -11 412.130 143.889 11 11 2 -11 298.371 61.2697 6 11 2 -9 2779.86 384.773 11 11 -2 -9 2493.37 175.835 6 11 2 -9 2424.13 172.967 6 11 -2 -7 812.603 218.943 11 11 2 -7 685.826 188.463 11 11 -2 -5 2707.34 374.047 11 11 2 -5 2921.44 378.117 11 11 -2 -3 4415.31 476.574 11 11 -2 -1 15929.6 877.772 11 11 -2 1 22068.2 1012.48 11 11 -2 3 17960.2 891.623 11 -11 2 -3 18100.3 972.695 12 11 -2 5 664.889 174.035 11 -11 2 -5 613.129 177.708 12 -11 2 -7 23.9050 53.5007 12 11 2 7 105.649 52.0441 1 11 2 9 580.438 98.8142 1 11 -2 9 504.644 94.7518 1 -11 2 -11 1147.96 264.079 12 11 2 11 1013.25 131.863 1 11 -2 11 1088.02 136.418 1 -11 2 -13 577.166 193.898 12 11 2 13 580.074 101.512 1 11 -2 13 421.393 94.9336 1 11 2 15 6077.87 348.375 1 11 -2 15 6120.44 350.450 1 -11 2 -15 6349.22 633.661 12 -11 -2 -17 14972.6 887.987 13 11 2 17 16043.3 583.283 1 11 -2 17 15351.6 573.899 1 -11 2 -17 15230.8 981.060 12 11 2 19 10468.4 477.259 1 11 -2 19 10734.8 490.204 1 11 2 21 3293.00 266.963 1 11 -2 21 2815.70 255.449 1 11 2 23 3171.92 259.701 1 11 -2 23 3013.13 257.979 1 11 2 25 3262.46 247.721 1 11 -2 25 3387.74 260.945 1 11 2 27 7645.09 353.941 1 11 -2 27 7286.72 360.599 1 11 2 29 356.684 81.1532 1 11 -2 29 351.294 78.3581 1 11 2 31 1188.56 106.050 1 11 -2 31 1276.75 122.196 1 -11 2 -33 97.7971 31.1576 3 11 -2 33 98.6566 33.9273 1 11 3 -32 113.028 34.6745 2 11 3 -30 35.3271 32.7306 2 11 3 -28 597.758 82.5394 7 11 3 -28 499.550 73.9378 2 11 3 -26 4010.09 219.736 7 -11 3 24 825.967 97.3526 9 11 3 -24 874.955 112.750 7 -11 3 22 2802.46 188.599 9 11 3 -22 2557.00 197.845 7 -11 3 20 41296.3 776.488 9 11 3 -20 43074.4 792.953 7 11 -3 -18 332.018 206.668 10 -11 3 18 444.411 83.6650 9 11 3 -18 321.488 75.6787 7 -11 3 16 15923.7 479.104 9 -11 3 16 15573.4 470.870 4 -11 3 14 41087.6 764.343 4 11 3 -14 38519.8 726.459 7 11 -3 -14 41302.7 1794.70 13 11 3 -12 3250.92 200.517 6 11 3 -12 3813.52 233.680 8 -11 3 12 3661.50 221.520 4 11 3 -12 3512.68 210.410 7 11 3 -10 3319.56 205.357 8 -11 3 10 3030.65 205.106 4 11 3 -10 3098.48 188.314 6 11 3 -8 816.289 101.665 8 -11 3 8 716.879 100.558 3 11 3 -8 738.342 95.4184 6 11 3 -6 8229.33 322.368 6 11 -3 -6 8826.78 717.766 11 11 3 -6 9232.82 322.374 8 -11 3 6 8583.09 345.631 3 11 -3 -6 9855.59 341.457 6 11 -3 -4 2105.63 346.006 11 11 3 -4 2629.26 182.207 6 -11 3 4 2079.99 167.063 3 11 -3 -2 34884.9 1358.41 11 11 3 -2 33406.2 677.539 6 -11 3 2 34549.7 701.563 3 11 3 0 18708.8 519.758 6 -11 3 0 19178.9 520.240 3 11 -3 2 7767.78 595.874 11 -11 3 -2 8217.84 709.679 12 -11 3 -2 7182.86 319.198 3 -11 3 -4 4182.66 503.395 12 -11 3 -4 4227.89 253.474 3 -11 3 -6 23040.3 607.365 3 -11 3 -6 23140.8 1182.44 12 -11 3 -8 19992.1 577.986 3 11 3 8 18693.5 548.528 1 -11 3 -8 19806.1 1106.53 12 11 3 10 2926.38 220.918 1 -11 3 -10 3462.76 242.971 3 -11 3 -10 3274.81 458.644 12 -11 3 -12 47.0913 60.3542 12 11 3 12-17.6045 34.4655 1 -11 3 -12 84.3238 61.3790 3 11 -3 12-3.77675 34.2794 1 -11 3 -14 1360.05 301.510 12 11 3 14 1340.52 158.307 1 11 -3 14 1315.47 149.080 1 -11 -3 -14 1313.25 273.731 13 -11 3 -16 674.328 219.116 12 11 3 16 866.397 129.086 1 -11 -3 -16 740.409 238.052 13 11 -3 16 683.218 115.706 1 11 3 18 2327.36 209.901 1 11 -3 18 1963.07 201.628 1 11 3 20 9743.47 429.729 1 11 -3 20 9915.85 446.771 1 11 3 22 6323.15 334.472 1 11 -3 22 6782.64 364.541 1 11 3 24 3373.83 228.496 1 11 -3 24 3144.82 239.493 1 11 3 26 3944.59 227.371 1 11 -3 26 4182.71 254.653 1 -11 3 -28 319.646 70.8942 3 11 -3 28 295.179 63.4157 1 -11 3 -30 464.104 70.7135 3 11 -3 30 304.883 54.1992 1 -11 3 -32 114.335 29.6619 3 11 4 -29 2416.03 121.383 2 -11 4 27 118.306 31.8470 9 11 4 -27 137.911 38.6154 2 11 4 -25 6074.45 241.916 7 11 4 -25 5584.80 234.434 2 -11 4 23 6665.00 281.467 9 11 4 -23 6801.62 273.441 7 -11 4 21 691.654 97.6314 9 11 4 -21 621.183 92.9919 7 -11 4 19 70.1505 79.0500 9 11 4 -19 48.3403 60.6089 7 -11 4 17 10698.6 403.398 9 11 4 -17 10659.4 372.043 7 -11 4 15 6017.54 303.901 9 -11 4 15 6024.59 306.074 4 11 4 -15 5743.76 269.808 7 11 4 -13 14310.1 473.424 8 -11 4 13 13363.7 456.308 4 11 4 -13 15202.7 431.976 7 11 -4 -13 13428.2 1042.31 13 11 4 -11 37596.7 737.959 8 -11 4 11 37975.0 777.376 4 11 4 -11 36361.0 671.525 7 11 -4 -11 38150.2 1694.82 13 11 4 -9 9689.33 357.912 8 -11 4 9 8462.31 365.517 4 -11 4 9 8385.13 365.019 3 11 4 -9 9308.13 326.539 7 11 4 -7 35892.9 700.940 8 -11 4 7 35955.2 759.520 3 11 -4 -5 5561.80 583.115 11 11 4 -5 5660.90 266.517 8 -11 4 5 6272.59 311.022 3 11 -4 -3-35.9447 56.5015 11 -11 4 3 95.3398 50.1687 3 11 4 -3 116.013 43.7513 8 11 4 -1 957.083 113.615 8 -11 4 1 798.590 115.255 3 -11 4 1 920.439 266.237 12 11 4 1 10873.7 396.649 6 -11 4 -1 11419.4 426.075 3 -11 4 -1 11369.4 897.460 12 -11 4 -3 149.385 74.5773 12 -11 4 -3 98.6884 41.1652 3 -11 4 -5 25948.5 1334.76 12 -11 4 -5 25758.7 663.843 3 -11 4 -7 1845.04 360.834 12 -11 4 -7 1780.21 179.102 3 -11 4 -9 1331.46 157.390 3 -11 4 -9 1239.98 298.652 12 -11 4 -11 11579.4 474.681 3 -11 4 -11 11202.6 901.543 12 -11 4 -13 1880.78 193.217 3 -11 -4 -13 1079.66 268.958 13 -11 4 -13 2020.23 406.931 12 -11 4 -15 3377.03 262.592 3 -11 4 -17 58.2822 48.9236 3 -11 4 -19 53.8708 62.9870 3 -11 4 -21 3030.02 242.024 3 -11 4 -23 2382.21 207.756 3 -11 4 -25 152.596 57.4663 3 -11 4 -27 140.190 46.3688 3 -11 4 -29 458.562 75.6472 3 -11 5 26 125.969 33.5453 9 -11 5 24 2425.38 149.495 9 -11 5 22 444.076 74.6318 9 -11 5 20 1443.37 136.903 9 -11 5 18 4890.51 268.564 9 -11 5 16 1713.99 162.331 9 -11 5 14 5587.58 294.744 9 11 5 -14 4837.30 278.818 8 -11 5 14 5311.93 295.177 4 -11 5 12 744.894 115.202 9 -11 5 12 741.535 121.808 4 11 5 -12 1072.47 132.435 8 11 5 -10 44610.7 838.936 8 -11 5 10 46538.8 895.574 4 11 5 -8 5848.59 296.147 8 -11 5 8 6637.25 338.600 4 -11 5 6 827.146 122.105 3 11 5 -6 929.516 120.804 8 -11 5 4-16.8501 57.9999 3 11 5 -4 30.8599 34.3913 8 -11 5 4 32.0071 96.6704 12 -11 5 2 579.503 101.822 3 11 5 -2 720.241 101.983 8 -11 5 2 498.246 174.620 12 -11 5 0 1116.28 306.383 12 11 5 0 1052.51 119.673 8 -11 5 0 924.751 127.228 3 11 5 2 1861.82 157.422 8 -11 5 -2 1823.34 180.221 3 -11 5 -2 1881.07 378.088 12 -11 5 -4 1472.21 351.199 12 11 5 4 1539.66 139.463 8 -11 5 -4 1437.23 163.638 3 -11 5 -6 431.610 162.157 12 -11 5 -6 416.958 89.8572 3 -11 5 -8 3077.14 236.632 3 -11 5 -10 1849.29 191.950 3 -11 5 -12 8.17438 42.9903 3 -11 5 -14 4381.82 294.826 3 -11 5 -16 1740.56 182.424 3 -11 5 -18 3239.13 242.042 3 -11 5 -20 74.0764 52.7057 3 -11 5 -22 62.5285 46.9298 3 -11 5 -24 1553.92 138.357 3 -11 5 -26 2494.61 151.119 3 -11 5 -28 281.012 43.9085 3 -11 6 23 170.931 39.4457 9 -11 6 21 41.8198 20.8211 9 -11 6 19 267.157 57.6260 9 -11 6 17 101.894 43.4854 9 -11 6 15 405.119 82.5225 9 -11 6 13-42.9373 49.1514 9 11 6 -13-25.0630 41.0655 8 -11 6 13 55.9691 44.9294 4 -11 6 11 320.516 72.6579 9 11 6 -11 174.851 68.7864 8 -11 6 11 396.591 86.4276 4 -11 6 9 1369.69 144.983 9 11 6 -9 1242.01 144.446 8 -11 6 9 1328.00 145.916 4 -11 6 7 1954.10 172.051 9 11 6 -7 1900.71 177.006 8 -11 6 7 1753.30 175.224 4 11 6 -5 1593.42 153.394 8 -11 6 5 1487.40 158.962 4 -11 6 5 1556.47 163.838 3 11 6 -3 3062.18 212.519 8 -11 6 3 3632.74 248.526 3 -11 6 1 291.713 72.2402 3 11 6 -1 217.259 77.7605 8 -11 6 -1 122.158 61.8362 3 11 6 1 167.638 59.9285 8 -11 6 -3 174.245 60.9316 3 11 6 3 175.836 59.4438 8 11 6 5 956.217 113.867 8 -11 6 -5 1088.86 135.119 3 11 6 7 1153.63 119.796 8 -11 6 -7 1142.94 140.404 3 -11 6 -9 3192.72 232.331 3 -11 6 -11 3782.94 249.687 3 -11 6 -13 3685.34 240.602 3 -11 6 -15 118.057 51.5162 3 -11 6 -17 28.8383 29.9297 3 -11 6 -19 2020.39 156.478 3 -11 6 -21 120.006 39.3128 3 -11 6 -23 605.162 67.8998 3 -11 7 20 1745.09 100.979 9 -11 7 18 178.613 40.2926 9 -11 7 16 1503.23 113.925 9 -11 7 14 4170.44 200.863 9 -11 7 12-10.7446 31.8522 9 -11 7 10 74.7824 39.3019 9 11 7 -10 35.7314 35.9249 8 -11 7 10 54.3227 39.2613 4 -11 7 8 2408.40 165.502 9 11 7 -8 2478.20 168.958 8 -11 7 8 2451.76 181.385 4 -11 7 6 49.4737 36.5751 9 11 7 -6 37.9411 48.5752 8 -11 7 4-4.77393 25.4762 9 11 7 -4 7.86767 30.6329 8 -11 7 4-38.7585 28.3372 4 -11 7 2 2033.75 153.541 9 11 7 -2 1795.55 151.363 8 -11 7 2 2032.48 171.280 4 -11 7 0 1740.64 138.504 9 11 7 0 1694.41 149.368 8 -11 7 0 1865.25 167.832 4 -11 7 0 2011.82 166.932 3 -11 7 -2 1311.66 118.849 9 11 7 2 1662.55 138.553 8 -11 7 -2 1596.47 151.249 3 -11 7 -4 13816.4 373.042 9 11 7 4 13567.1 390.132 8 -11 7 -4 14538.0 446.444 3 11 7 6 2060.99 149.045 8 -11 7 -6 1761.19 153.263 3 11 7 8 6606.36 252.849 8 -11 7 -8 7467.82 310.931 3 -11 7 -10 439.763 76.2425 3 -11 7 -12 136.837 55.1395 3 -11 7 -14 4605.42 214.562 3 -11 7 -16 68.6157 30.5978 3 -11 7 -18 89.3261 29.3781 3 -11 8 9 433.656 49.8614 9 11 8 -7 102.667 47.1080 8 11 8 -5 397.463 63.3642 8 -11 8 5 453.534 64.8783 4 11 8 -3 262.486 50.9600 8 -11 8 3 316.873 56.2487 4 11 8 -1 4128.69 177.326 8 -11 8 1 4088.12 193.525 4 11 8 1 783.277 79.6131 8 -11 8 -1 827.214 87.1199 4 11 8 3 81.5657 32.8545 8 -11 8 -3 80.8866 28.1931 4 11 8 5 56.3476 26.3381 8 -11 8 -5 122.307 33.6452 4 -11 8 -7 1947.21 120.518 4 -11 8 -9 631.674 64.3818 4 12 0 -32 2781.78 140.446 2 12 0 -30 1788.03 131.473 7 12 0 -28 10888.3 356.480 7 12 0 -26 24830.3 570.607 7 12 0 -24 354.749 77.5614 7 12 0 -22 815.522 115.210 7 12 0 -20 684.822 260.083 11 12 0 -20 998.047 123.399 7 12 0 -18 14943.0 1072.69 11 12 0 -18 14187.5 443.388 7 12 0 -16 4971.34 611.911 11 12 0 -16 5178.55 263.311 7 12 0 -14 7534.48 726.421 11 12 0 -14 7600.59 337.737 6 12 0 -12 2441.86 403.856 11 12 0 -12 2670.58 193.137 6 12 0 -10 28437.7 1331.25 11 12 0 -10 28651.8 621.384 6 12 0 -8 111.820 58.9171 11 12 0 -8 15.3298 30.2773 6 12 0 -6 94784.4 1155.43 6 12 0 -6 102719. 2438.68 11 12 0 -4 4303.54 481.159 11 12 0 -2 38566.8 1422.90 11 12 0 0 32317.5 1285.82 11 12 0 2 7267.64 603.962 11 -12 0 -2 7018.60 536.383 12 -12 0 -4 3347.64 364.747 12 12 0 6 12817.0 456.417 1 -12 0 -6 13037.9 732.411 12 12 0 8 9796.51 409.025 1 -12 0 -8 9827.96 654.391 12 -12 0 -10 222311. 3337.63 12 12 0 10 220659. 2201.95 1 12 0 12 4529.27 296.605 1 -12 0 -12 4528.43 468.467 12 12 0 14 21840.8 676.547 1 12 0 16 6731.73 384.828 1 12 0 18 1367.52 186.239 1 12 0 20 1593.56 194.576 1 12 0 22 15963.8 616.121 1 12 0 24 34675.9 891.967 1 12 0 26 206.562 72.1299 1 12 0 28 5256.25 301.195 1 12 0 30 2942.58 204.798 1 12 0 32 684.575 81.1512 1 12 1 -33 167.661 36.9775 2 12 -1 -31-31.1958 21.6685 2 12 1 -31-13.6770 26.3420 2 12 -1 -29 47.0707 25.0584 7 12 1 -29 69.3816 37.8279 7 12 -1 -27 197.376 54.7932 7 12 1 -27 179.389 52.5607 7 12 -1 -25 435.442 75.3380 7 12 1 -25 490.809 94.3917 7 12 -1 -23 9268.68 354.975 7 12 1 -23 9623.87 385.537 7 12 -1 -21 4822.03 254.004 7 12 1 -21 5295.13 280.903 7 12 -1 -19 5309.59 662.252 11 12 -1 -19 4974.96 256.573 7 12 1 -19 5272.29 276.096 7 12 -1 -17 3879.99 558.752 11 12 1 -17 2830.68 453.654 11 12 -1 -17 3599.47 217.624 7 12 1 -17 3528.27 223.255 7 12 -1 -15 322.246 161.005 11 12 1 -15 287.552 142.171 11 12 1 -15 331.239 71.9206 6 12 -1 -15 368.009 75.3087 7 12 1 -15 385.621 77.4769 7 12 -1 -13 4205.91 551.623 11 12 1 -13 4588.18 558.815 11 12 -1 -13 4207.52 250.832 6 12 1 -13 4350.62 245.909 6 12 -1 -11 6542.54 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260.922 1 -12 1 -15 2947.27 402.040 12 12 -1 17 927.234 142.612 1 12 1 17 816.008 140.996 1 12 -1 19 6.40832 43.9211 1 12 1 19 12.3380 70.9113 1 12 1 21 1466.58 183.500 1 12 -1 21 1420.38 177.147 1 12 -1 23 307.825 98.0722 1 12 1 23 226.075 87.5592 1 12 1 25 83.3571 56.6319 1 12 -1 25 159.256 71.4517 1 12 1 27 10661.8 436.296 1 12 -1 27 11393.2 458.720 1 12 1 29 7.95674 41.3697 1 12 -1 29 17.0790 31.5202 1 -12 1 -31 4770.96 203.660 3 12 1 31 5368.99 240.212 1 12 -1 31 5569.15 254.717 1 12 -1 33 498.196 62.6365 1 12 2 -32 2559.80 129.646 2 12 2 -30 219.558 53.2196 7 12 2 -30 258.108 48.7152 2 12 2 -28 316.957 66.9461 7 12 2 -26 21.1282 32.1461 7 12 -2 -24 10.2541 21.8207 7 12 2 -24 50.3007 36.1173 7 12 -2 -22 177.840 49.4095 7 12 2 -22 219.164 63.9790 7 12 -2 -20 359.114 65.7033 7 12 2 -20 365.719 75.7601 7 -12 2 18 43.0572 31.5324 9 12 -2 -18 27.5580 26.0006 7 12 2 -18 17.0961 41.6973 7 -12 2 16 16512.0 466.693 9 12 -2 -16 16723.9 443.699 7 12 2 -16 17169.5 493.267 7 12 2 -14 15245.9 976.823 11 12 -2 -14 15131.1 414.715 7 12 2 -14 14829.4 452.597 7 12 2 -14 14798.8 452.633 6 12 2 -12-15.5984 82.2828 11 12 2 -12 87.0220 35.9119 6 12 -2 -10 164.327 61.8315 11 12 -2 -10 255.393 57.4388 6 12 2 -10 156.529 107.109 11 12 2 -10 244.376 54.9260 6 12 -2 -8 5855.16 616.591 11 12 2 -8 5668.81 572.835 11 -12 2 8 5898.61 271.529 3 12 -2 -8 6333.24 284.746 6 12 2 -8 6377.82 288.072 6 12 2 -6 3954.86 229.343 6 12 -2 -6 4031.39 495.495 11 -12 2 6 3981.13 219.072 3 12 -2 -6 4114.13 222.654 6 12 -2 -4 499.754 175.406 11 12 -2 -4 453.170 69.8850 6 -12 2 4 402.322 71.4019 3 12 2 -4 415.461 73.0888 6 12 2 -2 1249.02 133.782 6 12 -2 -2 1308.00 283.939 11 12 -2 0 481.995 170.000 11 12 2 0 474.234 86.4427 6 12 -2 2 1319.64 260.590 11 -12 2 -2 1891.13 338.027 12 12 -2 4 1623.01 157.576 1 12 -2 4 1418.41 269.548 11 -12 2 -4 1572.30 147.324 3 -12 2 -4 1683.26 302.095 12 -12 2 -6 3344.01 220.294 3 12 2 6 3729.84 243.821 1 12 -2 6 3200.55 223.455 1 -12 2 -6 3320.50 428.775 12 -12 2 -8 5263.48 284.364 3 12 2 8 5013.54 295.493 1 12 -2 8 5047.18 285.923 1 -12 2 -8 5847.40 587.696 12 -12 2 -10 321.697 137.728 12 -12 2 -10 412.992 90.9856 3 12 2 10 355.025 85.8079 1 12 -2 10 224.734 63.4669 1 12 2 12 16413.1 563.658 1 12 -2 12 16270.6 555.437 1 -12 2 -12 15668.5 1006.78 12 12 2 14 16088.8 575.273 1 12 -2 14 16748.4 582.096 1 -12 2 -14 16518.9 1040.58 12 12 2 16 3436.72 271.093 1 12 -2 16 3873.72 288.094 1 -12 -2 -16 3086.59 408.726 13 -12 2 -16 3558.06 475.416 12 12 2 18 4561.94 313.994 1 12 -2 18 3792.20 289.455 1 12 2 20 1504.11 186.806 1 12 -2 20 1361.28 178.089 1 12 2 22 3660.52 275.703 1 12 -2 22 3417.65 269.757 1 12 2 24 1417.46 164.199 1 12 -2 24 1238.92 158.795 1 12 2 26 3597.42 243.061 1 12 -2 26 3562.02 250.294 1 12 2 28 3407.50 212.663 1 12 -2 28 3532.95 227.021 1 12 2 30 181.525 49.0735 1 -12 2 -30 162.530 49.2034 3 12 -2 30 146.535 46.8822 1 -12 2 -32 416.847 52.8208 3 12 -2 32 433.231 58.7250 1 12 3 -31 8339.92 220.930 2 12 3 -29 1704.81 123.778 7 12 3 -29 1822.98 122.133 2 12 3 -27 661.234 84.3528 7 12 3 -25 1083.27 118.190 7 -12 3 23 275.463 61.0569 9 12 3 -23 272.096 64.6443 7 -12 3 21 1129.59 120.753 9 12 3 -21 1083.96 126.646 7 -12 3 19 6874.41 307.906 9 12 3 -19 7183.53 314.997 7 -12 3 17 699.617 103.324 9 12 3 -17 840.177 115.520 7 -12 3 15 8173.05 345.241 9 -12 3 15 8124.35 335.534 4 12 3 -15 7822.89 332.364 7 -12 3 13 22705.5 560.275 4 12 3 -13 21662.0 543.303 7 12 3 -13 21879.6 530.021 6 -12 3 11 13656.5 432.415 4 12 3 -11 13921.1 419.158 6 12 -3 -9 13572.5 977.679 11 12 3 -9 13421.6 413.679 8 -12 3 9 14165.9 448.855 4 12 3 -9 13396.6 410.339 6 12 -3 -7 10808.6 845.629 11 12 3 -7 11637.6 369.181 8 -12 3 7 11351.1 402.938 3 12 -3 -7 11313.2 374.897 6 12 3 -7 10962.1 376.926 6 12 3 -5 1183.06 130.058 6 12 -3 -5 1252.70 275.126 11 -12 3 5 1213.78 134.392 3 12 -3 -5 1296.06 123.628 6 12 -3 -3 10090.2 771.860 11 12 3 -3 10108.5 377.031 6 -12 3 3 9248.89 361.613 3 12 -3 -1 6307.06 598.808 11 12 3 -1 6322.48 306.132 6 -12 3 1 6118.07 297.269 3 12 -3 1 20.2636 68.3635 11 12 3 1 36.7805 40.0782 6 -12 3 -1 60.7885 49.3645 3 -12 3 -1 11.9023 115.559 12 12 -3 3 9474.23 678.549 11 -12 3 -3 8968.07 367.516 3 -12 3 -3 9727.38 803.171 12 -12 3 -5 671.834 207.058 12 -12 3 -5 712.400 112.063 3 -12 3 -7 1335.32 153.061 3 -12 3 -7 1275.92 287.264 12 -12 3 -9-5.05250 80.2023 12 12 3 9-2.14009 43.5985 1 -12 3 -9 46.8757 36.1857 3 -12 3 -11 951.553 271.914 12 -12 3 -11 1029.25 140.274 3 12 3 11 910.607 127.233 1 12 -3 11 907.063 124.259 1 12 3 13 2939.73 232.017 1 -12 3 -13 2787.33 236.290 3 12 -3 13 2860.81 227.064 1 -12 3 -13 3421.05 503.478 12 -12 3 -15 811.515 243.001 12 12 3 15 1068.85 150.932 1 12 -3 15 1065.59 146.217 1 -12 3 -15 960.943 137.881 3 -12 -3 -15 1156.61 279.493 13 -12 3 -17 2222.28 216.656 3 12 3 17 2288.55 211.402 1 12 -3 17 1975.99 197.202 1 -12 3 -19 1203.59 163.971 3 12 -3 19 1108.81 152.237 1 12 3 19 1005.65 135.057 1 -12 3 -21-20.1361 42.5447 3 12 -3 21 31.5530 32.8037 1 12 3 23 485.124 85.2189 1 -12 3 -23 370.373 88.7082 3 12 -3 23 260.345 62.0958 1 12 3 25 59.2277 36.8231 1 -12 3 -25 19.1826 35.4607 3 12 -3 25 36.5741 39.6959 1 -12 3 -27-40.7873 40.0260 3 12 -3 27 10.2649 27.5931 1 -12 3 -29 55.2773 28.2092 3 12 -3 29-1.75343 21.0577 1 -12 3 -31-39.3320 25.5534 3 12 4 -28 179.995 38.2950 2 -12 4 26 373.957 53.9543 9 12 4 -26 497.088 71.3180 7 12 4 -26 421.829 59.1544 2 -12 4 24 2877.85 165.165 9 12 4 -24 2837.69 164.538 7 12 4 -24 2670.21 158.554 2 -12 4 22 2130.82 158.614 9 12 4 -22 2275.26 159.741 7 -12 4 20 2734.45 194.130 9 12 4 -20 2433.04 175.274 7 -12 4 18 3396.27 220.641 9 12 4 -18 3610.08 218.139 7 -12 4 16 588.097 96.1858 9 -12 4 16 520.573 98.4167 4 12 4 -16 445.939 79.6795 7 -12 4 14 2580.08 202.878 9 -12 4 14 2504.43 197.781 4 12 4 -14 3139.31 201.894 7 12 4 -12 35475.3 737.853 8 -12 4 12 35573.5 748.724 4 12 4 -12 35627.6 676.842 7 12 -4 -10 4594.28 608.086 11 12 4 -10 4420.63 249.337 8 -12 4 10 5062.35 281.422 4 12 4 -10 4498.13 232.683 7 12 -4 -8 12542.8 956.554 11 12 4 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3 17832.5 540.254 6 19 -2 3 18275.1 472.018 6 19 2 5 724.431 110.007 6 19 -2 5 701.660 90.8749 6 19 -2 7 6.63910 23.9833 6 19 2 7 46.8520 42.9502 6 19 2 9 692.734 105.323 6 19 2 11 97.5724 50.9538 6 19 2 13 360.954 77.6338 6 19 2 15 10.5086 27.9457 6 19 2 17 721.360 92.3989 6 19 2 19-2.68610 32.1968 6 19 2 21 743.448 72.8517 6 19 3 -20 691.979 63.5092 7 19 3 -18 339.928 53.6384 7 19 3 -16 1529.29 111.624 7 19 3 -14 112.792 40.1992 7 -19 3 12 1535.89 113.217 9 19 3 -12 1654.07 127.149 7 -19 3 10 11842.1 342.449 9 19 3 -10 12194.8 362.427 7 19 3 -8 1288.12 117.901 7 19 3 -8 1208.65 119.169 6 19 3 -6 158.873 51.1988 6 19 3 -4 18682.8 486.591 6 19 3 -2 136.152 45.6665 6 19 3 0 633.244 96.0867 6 19 3 2 1016.29 118.773 6 19 3 4 1395.78 137.599 6 19 3 6 983.260 120.056 6 19 3 8 3565.36 219.901 6 19 3 10 7057.29 307.409 6 19 3 12 212.302 55.5802 6 19 3 14 1417.09 127.256 6 19 3 16 98.7941 37.8346 6 19 3 18 1.31561 23.3755 6 19 3 20 191.996 35.7393 6 19 4 -15 67.7480 25.8627 7 -19 4 13 35.1842 24.2383 9 19 4 -13 40.0569 22.1567 7 -19 4 11 1541.58 111.039 9 19 4 -11 1458.99 101.071 7 -19 4 9 3316.68 174.546 9 19 4 -9 3585.86 162.323 7 19 4 -7 1.28720 22.8615 7 19 4 -5 2529.84 145.067 7 19 4 -5 2413.54 143.037 6 19 4 -3 221.142 46.5580 6 19 4 -1 427.886 65.3670 6 19 4 1 48.0285 26.2609 6 -19 4 -1 66.9389 30.2355 4 -19 4 -3 97.7777 37.1668 3 19 4 3 92.5961 32.2637 6 19 4 5 1077.46 105.715 6 -19 4 -5 1031.59 95.1129 3 -19 4 -7 401.433 57.9088 3 19 4 7 505.652 74.2188 6 19 4 9 822.682 94.1701 6 -19 4 -9 725.547 75.9122 3 19 4 11 1794.66 128.991 6 -19 4 -11 1556.37 106.557 3 -19 4 -13 224.319 40.7221 3 19 4 13 324.903 55.0604 6 19 4 15 696.446 70.4965 6 -19 5 10 462.959 56.0986 9 -19 5 8 763.841 74.2315 9 -19 5 6 2197.48 131.298 9 -19 5 2 4.81744 19.7277 4 -19 5 0 412.731 54.8850 4 -19 5 -2 301.447 50.8958 4 -19 5 -4 116.111 32.7665 4 -19 5 -8 40.5205 23.4580 3 20 0 -20 47.5328 20.4834 7 20 0 -18 1418.53 102.444 7 20 0 -16 5513.80 213.641 7 20 0 -14 128.866 48.5546 7 20 0 -12 1093.23 106.735 7 20 0 -10 5188.00 239.642 7 20 0 -8 1356.02 137.863 6 20 0 -6 59.6187 39.6704 6 20 0 -4 84.7795 31.4908 6 20 0 -2 2915.17 207.007 6 20 0 0 16237.8 486.463 6 20 0 2 296.213 69.4417 6 20 0 4 85.6477 44.6099 6 20 0 6 11857.5 408.953 6 20 0 8 6277.22 293.451 6 20 0 10 361.911 71.4840 6 20 0 12 571.836 85.2411 6 20 0 14 10604.0 336.153 6 20 0 16 2656.14 150.437 6 20 0 18 1167.07 86.2372 6 20 1 -21 15.9602 18.6459 7 20 1 -19 1021.89 84.4661 7 20 -1 -17 1934.63 109.847 7 20 1 -17 2121.26 129.954 7 20 -1 -15 518.687 62.7835 7 20 1 -15 525.160 73.1049 7 20 -1 -13 449.852 65.4349 7 20 1 -13 566.435 78.5186 7 20 -1 -11 36.3251 31.5353 7 20 1 -11 80.2113 43.7384 7 20 -1 -9 2134.50 149.539 7 20 1 -9 2166.22 167.696 6 20 -1 -7 407.745 83.5478 6 20 1 -7 436.605 84.6569 6 20 -1 -5 1645.88 148.988 6 20 1 -5 1645.02 154.656 6 20 -1 -3 1385.46 138.071 6 20 1 -3 1403.70 145.893 6 20 -1 -1 18548.2 502.782 6 20 1 -1 19389.9 532.524 6 20 -1 1 8675.89 338.840 6 20 1 1 9273.01 371.014 6 20 1 3 967.312 124.195 6 20 -1 3 984.692 114.616 6 20 -1 5 27.4011 35.0517 6 20 1 5 24.3268 39.5970 6 20 1 7 618.690 96.0961 6 20 -1 7 687.864 94.7643 6 20 -1 9-0.95963 22.1677 6 20 1 9 24.3857 30.3228 6 20 1 11 881.849 110.644 6 20 -1 11 943.200 99.1362 6 20 -1 13 446.843 67.1946 6 20 1 13 391.331 76.8252 6 20 1 15 250.142 56.7103 6 20 1 17 11635.9 320.602 6 20 1 19 1976.12 113.447 6 20 2 -20 800.163 64.2167 7 20 2 -18 4543.73 172.592 7 20 2 -16 1080.10 92.8555 7 20 2 -14 579.221 75.6467 7 20 2 -12-17.7003 25.1886 7 20 2 -10 250.078 57.8385 7 20 2 -8 275.682 60.6825 6 20 -2 -8 225.283 43.9348 7 20 2 -6 5346.97 256.731 6 20 2 -4 2499.81 183.129 6 20 -2 -2 9481.28 326.261 6 20 2 -2 9857.50 362.948 6 20 -2 0 4000.30 209.842 6 20 2 0 3968.50 233.651 6 20 -2 2 9945.63 324.569 6 20 2 2 10375.3 380.460 6 20 2 4 33672.4 699.289 6 20 -2 4 33351.4 591.791 6 20 2 6 2119.64 170.447 6 20 2 8 351.405 74.7381 6 20 2 10 277.053 71.5268 6 20 2 12 679.718 90.5802 6 20 2 14-4.48662 28.3619 6 20 2 16-1.64947 26.4685 6 20 2 18 138.622 33.5947 6 20 3 -17 269.171 39.1610 7 20 3 -15 392.170 52.9037 7 20 3 -13 706.301 72.6425 7 -20 3 11 2508.13 128.674 9 20 3 -11 2855.61 151.465 7 -20 3 9-9.23103 26.0564 9 20 3 -9-5.91234 26.0161 7 20 3 -7 5314.90 225.275 7 20 3 -7 5339.13 226.518 6 20 3 -5 436.824 68.2044 6 20 3 -3 3834.57 204.561 6 20 3 -1 293.386 60.1401 6 20 3 1 228.511 58.3452 6 20 3 3 1577.21 135.464 6 20 3 5 31.0661 32.0344 6 20 3 7 3246.50 192.813 6 20 3 9 254.090 60.1037 6 20 3 11 191.583 50.8729 6 20 3 13 4182.10 198.273 6 20 3 15 87.3933 31.9175 6 20 3 17 1593.06 99.4435 6 -20 4 10 2.74761 15.6715 9 20 4 -10 24.4756 19.6195 7 -20 4 8 4659.05 184.665 9 20 4 -8 4594.03 164.583 7 20 4 -6 591.916 60.7771 7 20 4 -4 62.0441 30.0536 7 20 4 -2 1037.62 84.2464 7 20 4 -2 1132.00 91.9153 6 20 4 0 298.434 51.9604 6 20 4 2 252.132 44.8102 6 20 4 4 104.233 29.1830 6 20 4 6 3019.74 152.813 6 20 4 8 2234.92 129.004 6 20 4 10 174.071 38.3531 6 20 4 12-8.35093 17.8944 6 -20 5 5 570.624 58.6388 9 -20 5 3 106.889 31.2296 9 21 0 -17 16.5535 19.5739 7 21 0 -15 14.2187 18.1907 7 21 0 -13 19.0088 19.1850 7 21 0 -11 1.90273 22.1183 7 21 0 -9-27.1504 34.3651 7 21 0 -7 36.7152 32.0819 6 21 0 -5-41.5930 29.5125 6 21 0 -3-3.11303 26.3168 6 21 0 -1 49.8138 30.1595 6 21 0 1-47.9197 45.7229 6 21 0 3 64.8330 47.4289 6 21 0 5 43.6312 34.1656 6 21 0 7-42.2779 37.1958 6 21 0 9 7.94975 25.2284 6 21 0 11-6.62099 22.3321 6 21 0 13 4.02452 21.8911 6 21 0 15 3.64692 21.2266 6 21 1 -18 94.2923 25.5472 7 21 1 -16 1117.64 85.4561 7 21 -1 -14 1421.24 90.0130 7 21 1 -14 1576.84 110.278 7 21 -1 -12 1486.05 101.965 7 21 1 -12 1620.34 118.880 7 21 -1 -10 2733.81 145.412 7 21 1 -10 2874.42 165.245 7 21 -1 -8 3102.48 161.973 7 21 1 -8 2985.55 185.569 6 21 1 -6-16.7067 37.8293 6 21 -1 -4 1932.04 147.896 6 21 1 -4 1751.74 149.304 6 21 -1 -2 69.8371 31.8806 6 21 1 -2 153.759 53.1801 6 21 -1 0 3261.11 190.315 6 21 1 0 3044.42 198.228 6 21 -1 2 1071.25 109.122 6 21 1 2 979.289 113.713 6 21 -1 4 7.21197 23.9456 6 21 1 4 81.5433 35.7763 6 21 -1 6 1406.86 118.272 6 21 1 6 1419.55 133.821 6 21 1 8 1448.55 129.025 6 21 -1 8 1574.59 122.414 6 21 1 10 770.183 92.3986 6 21 -1 10 701.037 76.6649 6 21 1 12 1935.11 137.290 6 21 -1 12 1807.83 108.118 6 21 1 14 4898.52 202.025 6 21 1 16 811.247 73.3029 6 21 2 -17 444.115 47.4147 7 21 2 -15 4701.60 172.671 7 21 2 -13 3457.86 157.882 7 21 2 -11-0.68380 25.7212 7 21 2 -9 1009.18 95.1346 7 21 2 -7 513.161 78.3576 6 21 2 -7 445.693 64.2179 7 21 2 -5 475.231 72.0857 6 21 2 -3 975.755 106.474 6 21 2 -1 6501.73 273.894 6 21 -2 1 4050.71 186.799 6 21 2 1 4550.02 228.630 6 21 -2 3 133.689 37.2727 6 21 2 3 122.496 45.5627 6 21 2 5 3222.77 190.574 6 21 2 7 915.147 101.806 6 21 2 9 1514.05 127.866 6 21 2 11 45.1931 27.4933 6 21 2 13 38.9732 25.6115 6 21 2 15 2887.33 142.274 6 21 3 -12 3772.32 147.245 7 21 3 -10 6381.29 205.769 7 -21 3 8 2136.17 111.018 9 21 3 -8 1777.17 114.121 7 21 3 -6 51.3604 23.9313 6 21 3 -6 77.1039 34.0078 7 21 3 -4 9727.34 290.349 6 21 3 -2 496.246 65.2302 6 21 3 0 7290.27 258.212 6 21 3 2 5714.88 229.979 6 21 3 4 388.997 62.6174 6 21 3 6 797.760 85.1175 6 21 3 8 13.4520 20.4626 6 21 3 10 346.953 53.9191 6 21 3 12 3219.14 149.988 6 -21 4 5 1122.00 83.3922 9 21 4 3 681.269 63.2640 6 22 0 -14 138.340 29.0871 7 22 0 -12 60.3648 21.7079 7 22 0 -10 766.736 74.2606 7 22 0 -8 558.178 67.2337 7 22 0 -4 536.656 74.1527 6 22 0 -2 847.881 96.0458 6 22 0 0 198.740 46.5004 6 22 0 2 1185.68 111.974 6 22 0 4 824.207 90.1874 6 22 0 6 190.943 45.4248 6 22 0 8 1970.45 127.909 6 22 0 10 1222.99 95.7704 6 22 0 12 770.835 68.6231 6 22 1 -13 1732.16 101.095 7 22 -1 -11 156.681 31.5703 7 22 1 -11 103.964 32.1297 7 22 -1 -9 1294.99 86.2855 7 22 1 -9 1421.65 104.758 7 22 -1 -7 986.054 80.5282 7 22 1 -7 990.059 90.4231 7 22 1 -5 20.3628 26.2504 6 22 -1 -5-18.9994 23.8249 7 22 1 -3 29.5497 22.0544 6 22 -1 -1 160.538 40.7305 6 22 1 -1 211.488 51.2973 6 22 -1 1 17.6486 26.5275 6 22 1 1-33.1845 26.8864 6 22 -1 3 70.8298 30.1748 6 22 1 3-25.9259 26.7636 6 22 -1 5 161.608 38.0943 6 22 1 5 127.826 39.2192 6 22 -1 7 324.880 51.8575 6 22 1 7 376.261 60.6956 6 22 -1 9 334.806 46.9710 6 22 1 9 534.478 70.1163 6 22 1 11 185.628 39.1851 6 22 1 13 167.216 35.9773 6 22 2 -12 285.509 38.9997 7 22 2 -10 506.034 57.4896 7 22 2 -8 861.476 79.7653 7 22 2 -6 12.1959 21.5456 6 22 2 -6 38.8451 26.8825 7 22 2 -4 2611.68 149.728 6 22 2 -2 4838.38 206.906 6 22 2 0 68.4300 28.5954 6 22 2 2 252.451 50.7740 6 22 2 4 452.558 67.0605 6 22 2 6 99.5506 32.2478 6 22 2 8 131.593 36.2173 6 22 2 10 1539.63 106.972 6 22 2 12 407.887 51.1881 6 22 3 -7 1656.30 92.4086 7 22 3 -5 1130.93 79.1588 7 22 3 -3 3626.63 145.514 7 22 3 -3 3150.20 139.809 6 22 3 -1 841.148 70.7717 7 22 3 -1 730.011 70.8452 6 22 3 1 671.753 67.8108 6 22 3 3 265.489 41.8627 6 22 3 5 290.102 45.3231 6 22 3 7 2050.74 111.365 6 23 0 -9 27.5918 18.0314 7 23 0 -7-1.44886 20.5578 7 23 0 -5-18.7355 17.8316 7 23 0 -1 2.86217 17.0021 6 23 0 1 34.6110 23.9544 6 23 0 3-26.1345 19.3366 6 23 0 5 57.9761 25.6187 6 23 0 7 14.2571 26.3198 6 23 1 -8 420.511 48.5924 7 23 1 -6 11.0993 18.6352 7 23 1 -4 290.144 45.9200 7 23 1 -2 25.5778 22.7687 6 23 -1 -2 73.6312 25.5068 7 23 1 0 51.1782 27.7757 6 23 1 2 43.4626 27.6131 6 23 1 4 1063.72 88.3076 6 23 1 6 649.944 66.1041 6 23 1 8-42.3071 20.2317 6 23 2 -7 212.193 33.4930 7 23 2 -5-43.7680 20.5458 7 23 2 -3 1167.61 80.8744 7 23 2 -3 1114.19 83.9565 6 23 2 -1 2690.22 132.331 6 23 2 1 51.5821 22.6298 6 23 2 3-39.3229 21.2012 6 23 2 5 1055.50 79.7422 6 0 0 0 0.00 0.00 0 TITL REARDE in I2/a REM I2/a (#15 in standard setting) CELL 1.54184 19.185070 7.822937 31.287213 90.0000 90.5101 90.0000 ZERR 8.00 0.000578 0.000235 0.001085 0.0000 0.0028 0.0000 LATT 2 SYMM -x+1/2, y,-z SFAC C H O UNIT 232.00 240.00 32.00 TREF HKLF 4 END ; _shelx_hkl_checksum 94604 _olex2_date_sample_data_collection 2017-10-23 _olex2_date_sample_submission 2017-10-20 _olex2_exptl_crystal_mounting_method "'in fomblin film on a micromount" _olex2_submission_original_sample_id RA-235-002 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.159 _oxdiff_exptl_absorpt_empirical_full_min 0.868 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z' '-x+1/2, -y+1/2, -z+1/2' 'x, -y+1/2, z+1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.48845(6) 0.59798(13) 0.60220(3) 0.0321(2) Uani 1 1 d . . . . . C2 C 0.50651(7) 0.43533(18) 0.58960(4) 0.0274(3) Uani 1 1 d . . . . . C3 C 0.49060(7) 0.28875(18) 0.61294(4) 0.0265(3) Uani 1 1 d . . . . . C4 C 0.44707(7) 0.29609(18) 0.65397(4) 0.0270(3) Uani 1 1 d . . . . . C5 C 0.42070(7) 0.4827(2) 0.66032(5) 0.0321(3) Uani 1 1 d . . . . . H5A H 0.377355 0.499446 0.643419 0.039 Uiso 1 1 calc R . . . . H5B H 0.409427 0.500423 0.690815 0.039 Uiso 1 1 calc R . . . . C6 C 0.47388(8) 0.61398(19) 0.64686(5) 0.0311(3) Uani 1 1 d . . . . . H6 H 0.454663 0.730694 0.652323 0.037 Uiso 1 1 calc R . . . . C7 C 0.54141(8) 0.4227(2) 0.55085(4) 0.0326(3) Uani 1 1 d . . . . . H7 H 0.551475 0.522779 0.534869 0.039 Uiso 1 1 calc R . . . . C8 C 0.56135(8) 0.2642(2) 0.53570(5) 0.0351(3) Uani 1 1 d . . . . . H8 H 0.584417 0.256541 0.509031 0.042 Uiso 1 1 calc R . . . . C9 C 0.54824(8) 0.1153(2) 0.55885(5) 0.0333(3) Uani 1 1 d D . . . . C10 C 0.51276(7) 0.13158(19) 0.59715(4) 0.0294(3) Uani 1 1 d . . . . . H10 H 0.503225 0.031399 0.613229 0.035 Uiso 1 1 calc R . . . . C11 C 0.38479(7) 0.1823(2) 0.64698(4) 0.0291(3) Uani 1 1 d . . . . . H11 H 0.353790 0.212009 0.624327 0.035 Uiso 1 1 calc R . . . . C12 C 0.36913(7) 0.04323(19) 0.66980(4) 0.0265(3) Uani 1 1 d . . . . . C13 C 0.41528(7) -0.00943(18) 0.70591(4) 0.0263(3) Uani 1 1 d . . . . . C14 C 0.47419(7) 0.10465(19) 0.71584(4) 0.0280(3) Uani 1 1 d . . . . . H14 H 0.502281 0.080506 0.740258 0.034 Uiso 1 1 calc R . . . . C15 C 0.48984(7) 0.24025(19) 0.69207(4) 0.0273(3) Uani 1 1 d . . . . . H15 H 0.530022 0.305072 0.699526 0.033 Uiso 1 1 calc R . . . . O16 O 0.53408(5) 0.59227(13) 0.67146(3) 0.0313(2) Uani 1 1 d . . . . . C17 C 0.58550(9) 0.7228(2) 0.66592(6) 0.0416(4) Uani 1 1 d . . . . . H17A H 0.567433 0.833859 0.676206 0.050 Uiso 1 1 calc R . . . . H17B H 0.597009 0.734513 0.635274 0.050 Uiso 1 1 calc R . . . . C18 C 0.64883(10) 0.6738(2) 0.69082(7) 0.0531(5) Uani 1 1 d . . . . . H18A H 0.663938 0.559300 0.682173 0.080 Uiso 1 1 calc GR . . . . H18B H 0.638084 0.673589 0.721381 0.080 Uiso 1 1 calc GR . . . . H18C H 0.686191 0.756089 0.685303 0.080 Uiso 1 1 calc GR . . . . C19 C 0.57067(10) -0.0590(2) 0.54272(6) 0.0448(4) Uani 1 1 d D U . . . H19A H 0.572752 -0.138516 0.567307 0.054 Uiso 0.652(5) 1 calc R . P A 1 H19B H 0.534402 -0.102035 0.522745 0.054 Uiso 0.652(5) 1 calc R . P A 1 H19C H 0.561349 -0.068849 0.511640 0.054 Uiso 0.348(5) 1 calc R . P A 2 H19D H 0.544719 -0.150402 0.557597 0.054 Uiso 0.348(5) 1 calc R . P A 2 C20 C 0.63666(15) -0.0635(3) 0.52139(9) 0.0418(7) Uani 0.652(5) 1 d D U P A 1 H20 H 0.676403 -0.023459 0.536704 0.050 Uiso 0.652(5) 1 calc R . P A 1 C20A C 0.6517(4) -0.0758(11) 0.5523(3) 0.077(2) Uani 0.348(5) 1 d D U P A 2 H20A H 0.667163 -0.103469 0.580398 0.093 Uiso 0.199(6) 1 calc R . P B 3 H20B H 0.683444 0.013624 0.545839 0.093 Uiso 0.149(6) 1 calc R . P C 4 C21 C 0.64599(18) -0.1193(4) 0.48203(9) 0.0569(9) Uani 0.652(5) 1 d D U P A 1 H21A H 0.607434 -0.160274 0.465759 0.068 Uiso 0.652(5) 1 calc R . P A 1 H21B H 0.691268 -0.118459 0.469982 0.068 Uiso 0.652(5) 1 calc R . P A 1 C21A C 0.7013(7) -0.0503(16) 0.5199(5) 0.078(4) Uani 0.199(6) 1 d D U P A 3 H21C H 0.686362 -0.022531 0.491683 0.093 Uiso 0.199(6) 1 calc R . P B 3 H21D H 0.749629 -0.060869 0.526220 0.093 Uiso 0.199(6) 1 calc R . P B 3 C21B C 0.6731(10) -0.224(2) 0.5701(4) 0.091(5) Uani 0.149(6) 1 d D U P A 4 H21E H 0.640206 -0.311045 0.576263 0.110 Uiso 0.149(6) 1 calc R . P C 4 H21F H 0.721084 -0.241022 0.576591 0.110 Uiso 0.149(6) 1 calc R . P C 4 C22 C 0.30863(7) -0.06603(19) 0.65768(5) 0.0292(3) Uani 1 1 d . . . . . C23 C 0.25187(7) -0.08710(18) 0.68527(5) 0.0289(3) Uani 1 1 d . . . . . C24 C 0.19455(8) -0.1834(2) 0.67208(6) 0.0379(4) Uani 1 1 d . . . . . H24 H 0.155769 -0.196716 0.690462 0.046 Uiso 1 1 calc R . . . . C25 C 0.19412(9) -0.2598(2) 0.63220(6) 0.0450(4) Uani 1 1 d . . . . . H25 H 0.154425 -0.323796 0.623442 0.054 Uiso 1 1 calc R . . . . C26 C 0.25003(9) -0.2454(2) 0.60466(6) 0.0444(4) Uani 1 1 d D . . . . C27 C 0.30664(8) -0.1466(2) 0.61813(5) 0.0369(3) Uani 1 1 d . . . . . H27 H 0.345223 -0.133958 0.599572 0.044 Uiso 1 1 calc R . . . . O28 O 0.25718(5) -0.00368(14) 0.72339(3) 0.0322(2) Uani 1 1 d . . . . . C29 C 0.20171(8) -0.0259(2) 0.75305(5) 0.0415(4) Uani 1 1 d . . . . . H29A H 0.158071 0.015684 0.740274 0.062 Uiso 1 1 calc GR . . . . H29B H 0.211981 0.038917 0.779167 0.062 Uiso 1 1 calc GR . . . . H29C H 0.197030 -0.147396 0.760057 0.062 Uiso 1 1 calc GR . . . . C30 C 0.2462(12) -0.3443(12) 0.5630(3) 0.0486(16) Uani 0.477(6) 1 d D U P D 1 H30A H 0.207328 -0.295495 0.545944 0.058 Uiso 0.477(6) 1 calc R . P D 1 H30B H 0.289607 -0.320340 0.547236 0.058 Uiso 0.477(6) 1 calc R . P D 1 C30A C 0.2621(6) -0.3161(19) 0.5591(4) 0.047(2) Uani 0.296(4) 1 d D U P D 2 H30C H 0.220641 -0.383670 0.550556 0.057 Uiso 0.296(4) 1 calc R . P D 2 H30D H 0.265413 -0.218129 0.539210 0.057 Uiso 0.296(4) 1 calc R . P D 2 C30B C 0.246(3) -0.330(3) 0.5608(6) 0.048(2) Uani 0.226(6) 1 d D U P D 6 H30E H 0.196397 -0.338305 0.551241 0.058 Uiso 0.226(6) 1 calc R . P D 6 H30F H 0.271600 -0.261758 0.539571 0.058 Uiso 0.226(6) 1 calc R . P D 6 C31 C 0.2367(3) -0.5322(6) 0.56363(13) 0.0437(11) Uani 0.477(6) 1 d D U P D 1 H31 H 0.229917 -0.585718 0.536662 0.052 Uiso 0.477(6) 1 calc R . P D 1 C31A C 0.3256(4) -0.4259(9) 0.5536(2) 0.0551(15) Uani 0.296(4) 1 d D U P D 2 H31A H 0.368292 -0.371834 0.561154 0.066 Uiso 0.296(4) 1 calc R . P D 2 C31B C 0.2769(6) -0.5048(11) 0.5650(3) 0.0485(18) Uani 0.226(6) 1 d D U P D 6 H31B H 0.324092 -0.534764 0.559801 0.058 Uiso 0.226(6) 1 calc R . P D 6 C32 C 0.2367(2) -0.6377(5) 0.59855(16) 0.0430(11) Uani 0.477(6) 1 d D U P D 1 H32A H 0.243284 -0.591360 0.626363 0.052 Uiso 0.477(6) 1 calc R . P D 1 H32B H 0.230082 -0.757187 0.594967 0.052 Uiso 0.477(6) 1 calc R . P D 1 C32A C 0.3317(3) -0.5777(8) 0.54069(19) 0.0450(14) Uani 0.296(4) 1 d D U P D 2 H32C H 0.291507 -0.641083 0.532511 0.054 Uiso 0.296(4) 1 calc R . P D 2 H32D H 0.376540 -0.628814 0.539132 0.054 Uiso 0.296(4) 1 calc R . P D 2 C32B C 0.2277(7) -0.6081(15) 0.5771(6) 0.074(4) Uani 0.226(6) 1 d D U P D 6 H32E H 0.181928 -0.565743 0.581501 0.089 Uiso 0.226(6) 1 calc R . P D 6 H32F H 0.237573 -0.725801 0.581521 0.089 Uiso 0.226(6) 1 calc R . P D 6 O33 O 0.40616(5) -0.14351(13) 0.72530(3) 0.0319(2) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0389(6) 0.0283(5) 0.0292(5) 0.0029(4) 0.0017(4) -0.0002(4) C2 0.0285(7) 0.0276(7) 0.0260(6) 0.0002(5) -0.0014(5) -0.0033(5) C3 0.0240(6) 0.0318(7) 0.0236(6) 0.0024(5) 0.0002(5) -0.0037(5) C4 0.0241(6) 0.0316(7) 0.0254(6) 0.0034(5) 0.0024(5) -0.0005(5) C5 0.0276(7) 0.0361(8) 0.0327(7) 0.0013(6) 0.0038(5) 0.0046(6) C6 0.0329(7) 0.0313(7) 0.0292(7) -0.0011(6) 0.0020(5) 0.0044(6) C7 0.0381(8) 0.0343(7) 0.0254(7) 0.0042(6) 0.0020(6) -0.0080(6) C8 0.0399(8) 0.0406(8) 0.0250(7) -0.0009(6) 0.0057(6) -0.0067(7) C9 0.0361(7) 0.0348(8) 0.0291(7) -0.0026(6) 0.0030(6) -0.0033(6) C10 0.0303(7) 0.0291(7) 0.0288(7) 0.0029(5) 0.0014(5) -0.0048(5) C11 0.0229(6) 0.0380(8) 0.0265(6) 0.0040(6) 0.0002(5) 0.0003(6) C12 0.0206(6) 0.0335(7) 0.0255(6) 0.0006(5) 0.0034(5) 0.0005(5) C13 0.0236(6) 0.0305(7) 0.0248(6) 0.0014(5) 0.0049(5) 0.0020(5) C14 0.0237(6) 0.0370(7) 0.0232(6) 0.0021(6) 0.0002(5) 0.0006(5) C15 0.0222(6) 0.0344(7) 0.0252(6) -0.0004(5) 0.0025(5) -0.0007(5) O16 0.0338(5) 0.0284(5) 0.0318(5) -0.0011(4) -0.0010(4) -0.0019(4) C17 0.0434(9) 0.0286(7) 0.0529(10) 0.0024(7) -0.0054(7) -0.0060(7) C18 0.0475(10) 0.0333(9) 0.0783(13) 0.0025(9) -0.0178(9) -0.0097(7) C19 0.0588(10) 0.0382(9) 0.0375(8) -0.0037(7) 0.0082(7) 0.0016(8) C20 0.0462(14) 0.0345(13) 0.0448(15) 0.0002(11) 0.0033(11) 0.0074(10) C20A 0.064(3) 0.088(4) 0.079(4) -0.012(3) 0.019(3) 0.025(3) C21 0.0572(18) 0.069(2) 0.0452(15) 0.0020(14) 0.0155(13) 0.0200(15) C21A 0.070(6) 0.067(6) 0.097(7) -0.017(6) 0.037(5) 0.002(5) C21B 0.065(9) 0.087(9) 0.123(13) -0.012(8) 0.012(9) 0.019(8) C22 0.0228(6) 0.0323(7) 0.0322(7) 0.0050(6) -0.0019(5) 0.0023(5) C23 0.0243(6) 0.0277(7) 0.0348(7) 0.0049(6) -0.0012(5) 0.0019(5) C24 0.0259(7) 0.0354(8) 0.0524(9) 0.0067(7) -0.0011(6) -0.0026(6) C25 0.0342(8) 0.0408(9) 0.0596(11) -0.0022(8) -0.0130(7) -0.0054(7) C26 0.0402(9) 0.0466(10) 0.0462(9) -0.0070(8) -0.0129(7) 0.0040(7) C27 0.0301(7) 0.0468(9) 0.0337(7) -0.0020(7) -0.0046(6) 0.0046(7) O28 0.0238(5) 0.0382(6) 0.0349(5) 0.0032(4) 0.0077(4) -0.0017(4) C29 0.0287(7) 0.0574(10) 0.0386(8) 0.0115(8) 0.0102(6) 0.0008(7) C30 0.043(3) 0.056(3) 0.047(3) -0.013(2) -0.010(2) -0.008(3) C30A 0.049(4) 0.049(4) 0.043(3) -0.005(3) -0.027(3) -0.003(3) C30B 0.047(4) 0.051(4) 0.046(4) -0.009(4) -0.014(4) -0.003(4) C31 0.046(3) 0.044(2) 0.0410(19) -0.0118(16) -0.0034(17) 0.0015(19) C31A 0.056(3) 0.062(3) 0.048(3) -0.003(2) -0.012(2) -0.006(3) C31B 0.043(3) 0.049(3) 0.053(3) -0.003(3) -0.017(3) -0.003(3) C32 0.0372(19) 0.045(2) 0.047(2) -0.0088(18) -0.0048(17) 0.0124(15) C32A 0.044(3) 0.047(3) 0.044(3) -0.002(2) 0.002(2) 0.002(2) C32B 0.064(6) 0.066(6) 0.093(9) -0.002(7) 0.005(7) 0.010(5) O33 0.0304(5) 0.0330(5) 0.0324(5) 0.0060(4) 0.0007(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 C C 0.0181 0.0091 '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' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist 0 0 -1 0.0087 0 0 1 0.0357 1 0 0 0.1369 3 4 -5 0.1295 -5 2 -3 0.0873 -1 0 0 0.1607 -4 -4 5 0.1236 5 -2 1 0.1978 5 -2 17 0.1256 7 0 16 0.1002 -6 2 15 0.0856 -7 -1 16 0.1187 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 C6 114.31(11) . . ? O1 C2 C3 123.56(12) . . ? O1 C2 C7 116.03(12) . . ? C7 C2 C3 120.40(13) . . ? C2 C3 C4 121.94(13) . . ? C10 C3 C2 118.11(12) . . ? C10 C3 C4 119.90(12) . . ? C3 C4 C5 108.70(11) . . ? C11 C4 C3 107.04(11) . . ? C11 C4 C5 108.32(11) . . ? C11 C4 C15 111.71(12) . . ? C15 C4 C3 110.71(11) . . ? C15 C4 C5 110.25(12) . . ? C4 C5 H5A 109.1 . . ? C4 C5 H5B 109.1 . . ? H5A C5 H5B 107.9 . . ? C6 C5 C4 112.36(11) . . ? C6 C5 H5A 109.1 . . ? C6 C5 H5B 109.1 . . ? O1 C6 C5 110.53(12) . . ? O1 C6 H6 108.8 . . ? C5 C6 H6 108.8 . . ? O16 C6 O1 111.12(11) . . ? O16 C6 C5 108.79(12) . . ? O16 C6 H6 108.8 . . ? C2 C7 H7 120.0 . . ? C8 C7 C2 119.91(13) . . ? C8 C7 H7 120.0 . . ? C7 C8 H8 119.4 . . ? C7 C8 C9 121.25(13) . . ? C9 C8 H8 119.4 . . ? C8 C9 C19 121.63(13) . . ? C10 C9 C8 117.59(14) . . ? C10 C9 C19 120.77(14) . . ? C3 C10 H10 118.7 . . ? C9 C10 C3 122.69(13) . . ? C9 C10 H10 118.7 . . ? C4 C11 H11 117.1 . . ? C12 C11 C4 125.86(13) . . ? C12 C11 H11 117.1 . . ? C11 C12 C13 119.73(13) . . ? C11 C12 C22 120.67(13) . . ? C13 C12 C22 119.48(12) . . ? C14 C13 C12 116.33(12) . . ? O33 C13 C12 121.78(13) . . ? O33 C13 C14 121.84(13) . . ? C13 C14 H14 118.6 . . ? C15 C14 C13 122.83(13) . . ? C15 C14 H14 118.6 . . ? C4 C15 H15 118.3 . . ? C14 C15 C4 123.32(13) . . ? C14 C15 H15 118.3 . . ? C6 O16 C17 114.52(12) . . ? O16 C17 H17A 110.1 . . ? O16 C17 H17B 110.1 . . ? O16 C17 C18 108.23(13) . . ? H17A C17 H17B 108.4 . . ? C18 C17 H17A 110.1 . . ? C18 C17 H17B 110.1 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C9 C19 H19A 108.4 . . ? C9 C19 H19B 108.4 . . ? C9 C19 H19C 110.3 . . ? C9 C19 H19D 110.3 . . ? C9 C19 C20A 107.0(3) . . ? H19A C19 H19B 107.5 . . ? H19C C19 H19D 108.6 . . ? C20 C19 C9 115.47(17) . . ? C20 C19 H19A 108.4 . . ? C20 C19 H19B 108.4 . . ? C20A C19 H19C 110.3 . . ? C20A C19 H19D 110.3 . . ? C19 C20 H20 117.7 . . ? C21 C20 C19 124.7(3) . . ? C21 C20 H20 117.7 . . ? C19 C20A H20A 119.4 . . ? C19 C20A H20B 121.8 . . ? C21A C20A C19 121.2(9) . . ? C21A C20A H20A 119.4 . . ? C21B C20A C19 116.3(11) . . ? C21B C20A H20B 121.8 . . ? C20 C21 H21A 120.0 . . ? C20 C21 H21B 120.0 . . ? H21A C21 H21B 120.0 . . ? C20A C21A H21C 120.0 . . ? C20A C21A H21D 120.0 . . ? H21C C21A H21D 120.0 . . ? C20A C21B H21E 120.0 . . ? C20A C21B H21F 120.0 . . ? H21E C21B H21F 120.0 . . ? C23 C22 C12 121.20(13) . . ? C27 C22 C12 120.19(13) . . ? C27 C22 C23 118.60(14) . . ? C24 C23 C22 119.71(14) . . ? O28 C23 C22 115.42(12) . . ? O28 C23 C24 124.83(13) . . ? C23 C24 H24 120.0 . . ? C25 C24 C23 119.94(15) . . ? C25 C24 H24 120.0 . . ? C24 C25 H25 119.1 . . ? C24 C25 C26 121.83(15) . . ? C26 C25 H25 119.1 . . ? C25 C26 C27 117.49(16) . . ? C25 C26 C30 117.4(9) . . ? C25 C26 C30A 131.8(5) . . ? C25 C26 C30B 119(2) . . ? C27 C26 C30 125.0(9) . . ? C27 C26 C30A 110.7(5) . . ? C27 C26 C30B 123(2) . . ? C22 C27 C26 122.39(15) . . ? C22 C27 H27 118.8 . . ? C26 C27 H27 118.8 . . ? C23 O28 C29 117.39(12) . . ? O28 C29 H29A 109.5 . . ? O28 C29 H29B 109.5 . . ? O28 C29 H29C 109.5 . . ? H29A C29 H29B 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C26 C30 H30A 107.3 . . ? C26 C30 H30B 107.3 . . ? H30A C30 H30B 106.9 . . ? C31 C30 C26 120.0(8) . . ? C31 C30 H30A 107.3 . . ? C31 C30 H30B 107.3 . . ? C26 C30A H30C 108.3 . . ? C26 C30A H30D 108.3 . . ? H30C C30A H30D 107.4 . . ? C31A C30A C26 116.0(8) . . ? C31A C30A H30C 108.3 . . ? C31A C30A H30D 108.3 . . ? C26 C30B H30E 110.3 . . ? C26 C30B H30F 110.3 . . ? H30E C30B H30F 108.5 . . ? C31B C30B C26 107.3(12) . . ? C31B C30B H30E 110.3 . . ? C31B C30B H30F 110.3 . . ? C30 C31 H31 116.2 . . ? C32 C31 C30 127.5(5) . . ? C32 C31 H31 116.2 . . ? C30A C31A H31A 114.6 . . ? C32A C31A C30A 130.8(8) . . ? C32A C31A H31A 114.6 . . ? C30B C31B H31B 126.3 . . ? C32B C31B C30B 107(2) . . ? C32B C31B H31B 126.3 . . ? C31 C32 H32A 120.0 . . ? C31 C32 H32B 120.0 . . ? H32A C32 H32B 120.0 . . ? C31A C32A H32C 120.0 . . ? C31A C32A H32D 120.0 . . ? H32C C32A H32D 120.0 . . ? C31B C32B H32E 120.0 . . ? C31B C32B H32F 120.0 . . ? H32E C32B H32F 120.0 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C2 1.3774(17) . ? O1 C6 1.4326(17) . ? C2 C3 1.3947(19) . ? C2 C7 1.394(2) . ? C3 C4 1.5387(18) . ? C3 C10 1.393(2) . ? C4 C5 1.559(2) . ? C4 C11 1.5043(19) . ? C4 C15 1.5060(19) . ? C5 H5A 0.9900 . ? C5 H5B 0.9900 . ? C5 C6 1.510(2) . ? C6 H6 1.0000 . ? C6 O16 1.3927(18) . ? C7 H7 0.9500 . ? C7 C8 1.382(2) . ? C8 H8 0.9500 . ? C8 C9 1.396(2) . ? C9 C10 1.389(2) . ? C9 C19 1.518(2) . ? C10 H10 0.9500 . ? C11 H11 0.9500 . ? C11 C12 1.337(2) . ? C12 C13 1.4873(19) . ? C12 C22 1.488(2) . ? C13 C14 1.471(2) . ? C13 O33 1.2252(17) . ? C14 H14 0.9500 . ? C14 C15 1.331(2) . ? C15 H15 0.9500 . ? O16 C17 1.4316(19) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C17 C18 1.488(2) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C19 H19C 0.9900 . ? C19 H19D 0.9900 . ? C19 C20 1.437(3) . ? C19 C20A 1.587(7) . ? C20 H20 0.9500 . ? C20 C21 1.320(4) . ? C20A H20A 0.9500 . ? C20A H20B 0.9500 . ? C20A C21A 1.411(11) . ? C20A C21B 1.348(13) . ? C21 H21A 0.9500 . ? C21 H21B 0.9500 . ? C21A H21C 0.9500 . ? C21A H21D 0.9500 . ? C21B H21E 0.9500 . ? C21B H21F 0.9500 . ? C22 C23 1.405(2) . ? C22 C27 1.389(2) . ? C23 C24 1.393(2) . ? C23 O28 1.3625(18) . ? C24 H24 0.9500 . ? C24 C25 1.383(3) . ? C25 H25 0.9500 . ? C25 C26 1.386(3) . ? C26 C27 1.395(2) . ? C26 C30 1.516(8) . ? C26 C30A 1.547(11) . ? C26 C30B 1.525(14) . ? C27 H27 0.9500 . ? O28 C29 1.4287(17) . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9900 . ? C30 H30B 0.9900 . ? C30 C31 1.481(10) . ? C30A H30C 0.9900 . ? C30A H30D 0.9900 . ? C30A C31A 1.501(11) . ? C30B H30E 0.9900 . ? C30B H30F 0.9900 . ? C30B C31B 1.500(15) . ? C31 H31 0.9500 . ? C31 C32 1.369(6) . ? C31A H31A 0.9500 . ? C31A C32A 1.261(8) . ? C31B H31B 0.9500 . ? C31B C32B 1.301(12) . ? C32 H32A 0.9500 . ? C32 H32B 0.9500 . ? C32A H32C 0.9500 . ? C32A H32D 0.9500 . ? C32B H32E 0.9500 . ? C32B H32F 0.9500 . ? 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 C3 C4 3.8(2) . . . . ? O1 C2 C3 C10 -178.95(13) . . . . ? O1 C2 C7 C8 -179.84(13) . . . . ? O1 C6 O16 C17 65.95(16) . . . . ? C2 O1 C6 C5 -52.44(15) . . . . ? C2 O1 C6 O16 68.45(15) . . . . ? C2 C3 C4 C5 5.43(17) . . . . ? C2 C3 C4 C11 122.22(14) . . . . ? C2 C3 C4 C15 -115.81(14) . . . . ? C2 C3 C10 C9 -1.7(2) . . . . ? C2 C7 C8 C9 -1.1(2) . . . . ? C3 C2 C7 C8 -1.0(2) . . . . ? C3 C4 C5 C6 -36.71(16) . . . . ? C3 C4 C11 C12 118.48(15) . . . . ? C3 C4 C15 C14 -118.15(15) . . . . ? C4 C3 C10 C9 175.69(13) . . . . ? C4 C5 C6 O1 62.05(15) . . . . ? C4 C5 C6 O16 -60.22(15) . . . . ? C4 C11 C12 C13 0.4(2) . . . . ? C4 C11 C12 C22 -175.51(13) . . . . ? C5 C4 C11 C12 -124.48(15) . . . . ? C5 C4 C15 C14 121.54(14) . . . . ? C5 C6 O16 C17 -172.14(12) . . . . ? C6 O1 C2 C3 20.40(18) . . . . ? C6 O1 C2 C7 -160.78(13) . . . . ? C6 O16 C17 C18 -174.67(14) . . . . ? C7 C2 C3 C4 -175.02(13) . . . . ? C7 C2 C3 C10 2.3(2) . . . . ? C7 C8 C9 C10 1.7(2) . . . . ? C7 C8 C9 C19 -179.29(16) . . . . ? C8 C9 C10 C3 -0.3(2) . . . . ? C8 C9 C19 C20 37.5(3) . . . . ? C8 C9 C19 C20A 78.2(4) . . . . ? C9 C19 C20 C21 -123.0(3) . . . . ? C9 C19 C20A C21A -101.0(8) . . . . ? C9 C19 C20A C21B 133.6(7) . . . . ? C10 C3 C4 C5 -171.81(12) . . . . ? C10 C3 C4 C11 -55.02(16) . . . . ? C10 C3 C4 C15 66.95(16) . . . . ? C10 C9 C19 C20 -143.47(19) . . . . ? C10 C9 C19 C20A -102.8(4) . . . . ? C11 C4 C5 C6 -152.68(12) . . . . ? C11 C4 C15 C14 1.05(19) . . . . ? C11 C12 C13 C14 3.71(18) . . . . ? C11 C12 C13 O33 -173.76(13) . . . . ? C11 C12 C22 C23 -117.36(15) . . . . ? C11 C12 C22 C27 61.19(19) . . . . ? C12 C13 C14 C15 -5.54(19) . . . . ? C12 C22 C23 C24 176.85(13) . . . . ? C12 C22 C23 O28 -1.05(19) . . . . ? C12 C22 C27 C26 -177.69(15) . . . . ? C13 C12 C22 C23 66.69(18) . . . . ? C13 C12 C22 C27 -114.76(15) . . . . ? C13 C14 C15 C4 3.1(2) . . . . ? C15 C4 C5 C6 84.82(14) . . . . ? C15 C4 C11 C12 -2.9(2) . . . . ? C19 C9 C10 C3 -179.34(14) . . . . ? C22 C12 C13 C14 179.70(12) . . . . ? C22 C12 C13 O33 2.23(19) . . . . ? C22 C23 C24 C25 0.9(2) . . . . ? C22 C23 O28 C29 -178.02(13) . . . . ? C23 C22 C27 C26 0.9(2) . . . . ? C23 C24 C25 C26 0.9(3) . . . . ? C24 C23 O28 C29 4.2(2) . . . . ? C24 C25 C26 C27 -1.7(3) . . . . ? C24 C25 C26 C30 175.8(5) . . . . ? C24 C25 C26 C30A -179.5(7) . . . . ? C24 C25 C26 C30B -178.9(8) . . . . ? C25 C26 C27 C22 0.8(3) . . . . ? C25 C26 C30 C31 -57.4(18) . . . . ? C25 C26 C30A C31A -123.1(8) . . . . ? C25 C26 C30B C31B -93(3) . . . . ? C26 C30 C31 C32 -6(2) . . . . ? C26 C30A C31A C32A 122.0(10) . . . . ? C26 C30B C31B C32B 87(3) . . . . ? C27 C22 C23 C24 -1.7(2) . . . . ? C27 C22 C23 O28 -179.63(13) . . . . ? C27 C26 C30 C31 119.9(14) . . . . ? C27 C26 C30A C31A 59.0(12) . . . . ? C27 C26 C30B C31B 90(3) . . . . ? O28 C23 C24 C25 178.56(14) . . . . ? C30 C26 C27 C22 -176.5(6) . . . . ? C30A C26 C27 C22 179.1(6) . . . . ? C30B C26 C27 C22 177.8(8) . . . . ? O33 C13 C14 C15 171.93(13) . . . . ? loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 0.0004 -0.0002 -0.9992 0.0007 -0.0472 0.0140 -0.0004 0.0002 0.9992 -0.0007 0.0472 -0.0140 0.9996 -0.0001 -0.0002 -0.0773 0.0058 0.0206 2.9958 3.9949 -5.0008 -0.0170 0.0020 0.8572 -4.9991 1.9978 -2.9984 0.4945 -0.0600 0.3016 -0.9996 0.0001 0.0002 0.0773 -0.0058 -0.0206 -3.9953 -3.9948 5.0010 0.0943 -0.0078 -0.8778 4.9999 -1.9983 1.0000 -0.4932 -0.0343 -0.2736 4.9939 -1.9947 16.9870 -0.5036 0.7204 -0.4980 6.9910 0.0031 15.9852 -0.5518 0.7951 -0.0802 -6.0054 2.0020 14.9872 0.5601 0.7833 0.0285 -7.0017 -0.9949 15.9897 0.4779 0.6592 -0.5500