#------------------------------------------------------------------------------ #$Date: 2020-04-20 23:38:46 +0300 (Mon, 20 Apr 2020) $ #$Revision: 250947 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/78/1557825.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_1557825 loop_ _publ_author_name 'Yang, Wei-Qun' 'Shao, Xue-Hua' 'Deng, Fang' 'Hu, Li-Jun' 'Xiong, Yu' 'Huang, Xiao-Jun' 'Fan, Chun-Lin' 'Jiang, Ren-Wang' 'Ye, Wen-Cai' 'Wang, Ying' _publ_section_title ; Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects ; _journal_name_full 'Journal of Natural Products' _journal_paper_doi 10.1021/acs.jnatprod.0c00244 _journal_year 2020 _chemical_absolute_configuration ad _chemical_formula_moiety 'C27 H32.77 O8' _chemical_formula_sum 'C27 H33 O8' _chemical_formula_weight 485.53 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _audit_creation_date 2019-06-11 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _cell_angle_alpha 90 _cell_angle_beta 99.7250(10) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.32150(10) _cell_length_b 10.26040(10) _cell_length_c 14.32600(10) _cell_measurement_reflns_used 10144 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 73.4250 _cell_measurement_theta_min 4.2920 _cell_volume 1205.60(2) _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (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 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.2684 _diffrn_detector_type AtlasS2 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.980 _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 -72.00 -47.00 1.00 1.00 -- -40.98 -57.00-150.00 25 2 \w -116.00 -8.00 1.00 1.00 -- -40.98 -77.00-150.00 108 3 \w -113.00 -75.00 1.00 1.00 -- -40.98 -57.00 -90.00 38 4 \w -64.00 22.00 1.00 1.00 -- -40.98 37.00 0.00 86 5 \w -60.00 -18.00 1.00 1.00 -- -40.98 -37.00 -90.00 42 6 \w -72.00 -34.00 1.00 1.00 -- -40.98 -57.00 -90.00 38 7 \w 1.00 81.00 1.00 1.00 -- 40.98 -99.00 60.00 80 8 \w 9.00 34.00 1.00 1.00 -- 40.98 77.00-150.00 25 9 \w 31.00 57.00 1.00 1.00 -- 40.98 37.00 -60.00 26 10 \w 75.00 102.00 1.00 1.00 -- 106.95 77.00 -60.00 27 11 \w 78.00 105.00 1.00 1.00 -- 106.95 61.00 -30.00 27 12 \w 74.00 100.00 1.00 1.00 -- 106.95 77.00 -90.00 26 13 \w 153.00 178.00 1.00 1.00 -- 106.95 61.00 -30.00 25 14 \w 24.00 68.00 1.00 1.00 -- 106.95 -94.00-120.00 44 15 \w 95.00 162.00 1.00 1.00 -- 106.95 125.00 30.00 67 16 \w 81.00 176.00 1.00 1.00 -- 106.95 45.00 -90.00 95 17 \w 36.00 82.00 1.00 1.00 -- 106.95 -61.00 90.00 46 18 \w 79.00 104.00 1.00 1.00 -- 106.95 61.00 -90.00 25 19 \w 75.00 100.00 1.00 1.00 -- 106.95 77.00-150.00 25 20 \w 106.00 140.00 1.00 1.00 -- 106.95 61.00-120.00 34 21 \w 78.00 105.00 1.00 1.00 -- 106.95 61.00 -60.00 27 22 \w 78.00 112.00 1.00 1.00 -- 106.95 61.00-180.00 34 23 \w 78.00 104.00 1.00 1.00 -- 106.95 61.00-150.00 26 24 \w 74.00 100.00 1.00 1.00 -- 106.95 77.00-120.00 26 25 \w 78.00 104.00 1.00 1.00 -- 106.95 61.00-120.00 26 26 \w 77.00 103.00 1.00 1.00 -- 106.95 77.00 -30.00 26 27 \w 81.00 107.00 1.00 1.00 -- 106.95 45.00-120.00 26 28 \w 82.00 114.00 1.00 1.00 -- 106.95 45.00 -60.00 32 29 \w 141.00 167.00 1.00 1.00 -- 106.95 45.00 -60.00 26 30 \w 81.00 136.00 1.00 1.00 -- 106.95 45.00 -30.00 55 31 \w 72.00 109.00 1.00 1.00 -- 106.95 -94.00-120.00 37 32 \w 94.00 174.00 1.00 1.00 -- 106.95 125.00 -60.00 80 33 \w 74.00 177.00 1.00 1.00 -- 106.95 77.00-180.00 103 34 \w -75.00 -49.00 1.00 1.00 -- -41.23 -37.00 -90.00 26 35 \w -57.00 -29.00 1.00 1.00 -- -41.23 -77.00 30.00 28 36 \w 78.00 104.00 1.00 1.00 -- 106.95 61.00 -90.00 26 37 \w 82.00 108.00 1.00 1.00 -- 106.95 45.00 0.00 26 38 \w 75.00 101.00 1.00 1.00 -- 106.95 77.00 -30.00 26 39 \w 111.00 136.00 1.00 1.00 -- 106.95 -61.00 30.00 25 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.1453554000 _diffrn_orient_matrix_UB_12 -0.0005723000 _diffrn_orient_matrix_UB_13 -0.0824390000 _diffrn_orient_matrix_UB_21 -0.1177679000 _diffrn_orient_matrix_UB_22 -0.0208435000 _diffrn_orient_matrix_UB_23 0.0708502000 _diffrn_orient_matrix_UB_31 -0.0170773000 _diffrn_orient_matrix_UB_32 0.1486606000 _diffrn_orient_matrix_UB_33 0.0095948000 _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0204 _diffrn_reflns_av_unetI/netI 0.0196 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.980 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 11208 _diffrn_reflns_point_group_measured_fraction_full 0.941 _diffrn_reflns_point_group_measured_fraction_max 0.914 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 73.553 _diffrn_reflns_theta_min 5.329 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 0.810 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.59982 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_density_diffrn 1.337 _exptl_crystal_description block _exptl_crystal_F_000 518 _refine_diff_density_max 0.629 _refine_diff_density_min -0.231 _refine_diff_density_rms 0.051 _refine_ls_abs_structure_details ; Flack x determined using 1889 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.03(7) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.067 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 333 _refine_ls_number_reflns 4443 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.067 _refine_ls_R_factor_all 0.0362 _refine_ls_R_factor_gt 0.0361 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0687P)^2^+0.2450P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0981 _refine_ls_wR_factor_ref 0.0983 _reflns_Friedel_coverage 0.762 _reflns_Friedel_fraction_full 0.877 _reflns_Friedel_fraction_max 0.839 _reflns_number_gt 4420 _reflns_number_total 4443 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file np0c00244_si_005.cif _cod_data_source_block 5 _cod_database_code 1557825 _shelx_shelxl_version_number 2017/1 _chemical_oxdiff_usercomment block _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. ; _reflns_odcompleteness_completeness 99.74 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 66.97 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2. Others Sof(O4)=Sof(H4A)=1-FVAR(1) Sof(H21)=Sof(O5)=Sof(H5A)=FVAR(1) 3.a Ternary CH refined with riding coordinates: C4(H4), C5(H5), C7(H7), C9(H9), C11(H11), C17(H17), C20(H20) 3.b Secondary CH2 refined with riding coordinates: C6(H6A,H6B), C12(H12A,H12B), C22(H22A,H22B) 3.c Aromatic/amide H refined with riding coordinates: C2(H2), C3(H3), C15(H15), C21(H21) 3.d Idealised Me refined as rotating group: C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C29(H29A,H29B,H29C), C30(H30A,H30B, H30C), C32(H32A,H32B,H32C) 3.e Idealised tetrahedral OH refined as rotating group: O4(H4A), O5(H5A) ; _shelx_res_file ; TITL 5_a.res in P2(1) 5.res created by SHELXL-2017/1 at 16:08:28 on 11-Jun-2019 REM Old TITL 5 in P2(1) REM SHELXT solution in P2(1): R1 0.092, Rweak 0.031, Alpha 0.002 REM 6.800 for 6 systematic absences, Orientation as input REM Flack x = 0.065 ( 0.072 ) from 1901 Parsons' quotients REM Formula found by SHELXT: C27 N O7 CELL 1.54178 8.3215 10.2604 14.326 90 99.725 90 ZERR 2 0.0001 0.0001 0.0001 0 0.001 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H O UNIT 54 66 16 L.S. 20 0 0 PLAN 20 BOND $H list 4 fmap 2 53 acta REM REM REM WGHT 0.068700 0.245000 FVAR 1.07452 0.77205 C1 1 0.268996 0.527134 0.986074 11.00000 0.01390 0.02411 = 0.01662 -0.00163 -0.00179 -0.00252 C2 1 0.232280 0.504870 1.081884 11.00000 0.02356 0.03054 = 0.01713 -0.00635 0.00307 -0.00444 AFIX 43 H2 2 0.204367 0.575840 1.116229 11.00000 -1.20000 AFIX 0 C3 1 0.237526 0.387598 1.120948 11.00000 0.02405 0.03579 = 0.01336 -0.00146 0.00151 -0.00782 AFIX 43 H3 2 0.226801 0.381869 1.184391 11.00000 -1.20000 AFIX 0 C4 1 0.259624 0.263760 1.069418 11.00000 0.01959 0.02954 = 0.01377 0.00292 -0.00078 -0.00338 AFIX 13 H4 2 0.373851 0.236965 1.086496 11.00000 -1.20000 AFIX 0 C5 1 0.224022 0.287846 0.962046 11.00000 0.01646 0.02076 = 0.01333 0.00148 -0.00054 -0.00206 AFIX 13 H5 2 0.107840 0.309001 0.945590 11.00000 -1.20000 AFIX 0 C6 1 0.252570 0.164583 0.907065 11.00000 0.02430 0.01821 = 0.01611 0.00362 0.00203 -0.00101 AFIX 23 H6A 2 0.365354 0.137869 0.925129 11.00000 -1.20000 H6B 2 0.184481 0.095197 0.924784 11.00000 -1.20000 AFIX 0 C7 1 0.215776 0.182237 0.800314 11.00000 0.02116 0.01645 = 0.01606 -0.00150 0.00215 -0.00125 AFIX 13 H7 2 0.251919 0.103907 0.770634 11.00000 -1.20000 AFIX 0 C8 1 0.302119 0.300296 0.766030 11.00000 0.01641 0.01546 = 0.01496 -0.00005 0.00159 -0.00073 C9 1 0.273956 0.424934 0.823607 11.00000 0.01405 0.01582 = 0.01455 0.00016 0.00013 -0.00059 AFIX 13 H9 2 0.155356 0.436521 0.812367 11.00000 -1.20000 AFIX 0 C10 1 0.320205 0.407346 0.933140 11.00000 0.01641 0.01904 = 0.01488 -0.00006 0.00003 -0.00191 C11 1 0.340073 0.548527 0.779582 11.00000 0.01594 0.01643 = 0.01523 -0.00068 -0.00033 0.00083 AFIX 13 H11 2 0.423941 0.589350 0.826786 11.00000 -1.20000 AFIX 0 C12 1 0.407942 0.528296 0.687818 11.00000 0.01813 0.01685 = 0.01833 0.00018 0.00330 -0.00157 AFIX 23 H12A 2 0.517055 0.492604 0.703875 11.00000 -1.20000 H12B 2 0.417330 0.612810 0.658876 11.00000 -1.20000 AFIX 0 C13 1 0.306732 0.437649 0.613112 11.00000 0.01853 0.01777 = 0.01450 0.00098 0.00214 0.00004 C14 1 0.226177 0.331889 0.664789 11.00000 0.02039 0.01707 = 0.01338 -0.00272 0.00357 0.00147 C15 1 0.081523 0.280754 0.628328 11.00000 0.02235 0.02477 = 0.01224 -0.00005 0.00144 -0.00401 AFIX 43 H15 2 0.046658 0.285387 0.563224 11.00000 -1.20000 AFIX 0 C16 1 -0.024485 0.217620 0.686827 11.00000 0.02416 0.01889 = 0.01411 -0.00369 0.00131 -0.00517 C17 1 0.428185 0.376057 0.554740 11.00000 0.02137 0.01736 = 0.01438 -0.00026 0.00196 -0.00082 AFIX 13 H17 2 0.518021 0.336917 0.598888 11.00000 -1.20000 AFIX 0 C18 1 0.175415 0.515824 0.547999 11.00000 0.02133 0.02182 = 0.01728 0.00305 0.00239 0.00170 AFIX 137 H18A 2 0.128326 0.462512 0.495360 11.00000 -1.50000 H18B 2 0.223967 0.591703 0.525115 11.00000 -1.50000 H18C 2 0.091947 0.542076 0.582860 11.00000 -1.50000 AFIX 0 C19 1 0.505823 0.395428 0.968411 11.00000 0.01765 0.02487 = 0.01636 0.00033 -0.00046 -0.00220 AFIX 137 H19A 2 0.562035 0.460540 0.938149 11.00000 -1.50000 H19B 2 0.542186 0.310444 0.953208 11.00000 -1.50000 H19C 2 0.528452 0.407903 1.035769 11.00000 -1.50000 AFIX 0 C20 1 0.501549 0.471186 0.488850 11.00000 0.02322 0.01795 = 0.01931 0.00165 0.00660 0.00122 AFIX 13 H20 2 0.474998 0.561514 0.502467 11.00000 -1.20000 AFIX 0 C21 1 0.686113 0.453525 0.499678 11.00000 0.02195 0.02240 = 0.02948 0.00003 0.00732 -0.00166 PART 1 AFIX 43 H21 2 0.761651 0.519681 0.517037 21.00000 -1.20000 AFIX 0 PART 0 C22 1 0.416243 0.431955 0.389430 11.00000 0.02546 0.02194 = 0.01631 0.00587 0.00605 0.00632 AFIX 23 H22A 2 0.332133 0.494480 0.365042 11.00000 -1.20000 H22B 2 0.493942 0.427056 0.346129 11.00000 -1.20000 AFIX 0 C23 1 0.343051 0.300427 0.401422 11.00000 0.01855 0.02323 = 0.01655 0.00048 0.00362 0.00707 C29 1 0.152816 0.156459 1.101870 11.00000 0.03113 0.03098 = 0.01706 0.00243 0.00354 -0.00572 AFIX 137 H29A 2 0.039946 0.178921 1.083318 11.00000 -1.50000 H29B 2 0.177500 0.148142 1.169524 11.00000 -1.50000 H29C 2 0.174225 0.075231 1.073056 11.00000 -1.50000 AFIX 0 C30 1 0.480768 0.252271 0.770563 11.00000 0.02133 0.01855 = 0.01844 0.00269 0.00322 0.00303 AFIX 137 H30A 2 0.488499 0.201764 0.715086 11.00000 -1.50000 H30B 2 0.511597 0.199371 0.825966 11.00000 -1.50000 H30C 2 0.552351 0.326069 0.773431 11.00000 -1.50000 AFIX 0 C31 1 0.236457 0.764558 0.758673 11.00000 0.02165 0.01629 = 0.01576 0.00005 0.00471 -0.00015 C32 1 0.085878 0.844309 0.728132 11.00000 0.02173 0.01883 = 0.04283 0.00620 0.00452 0.00174 AFIX 137 H32A 2 0.096337 0.891937 0.671790 11.00000 -1.50000 H32B 2 0.072025 0.904296 0.777583 11.00000 -1.50000 H32C 2 -0.007185 0.787781 0.715458 11.00000 -1.50000 AFIX 0 O1 3 0.272195 0.637481 0.954973 11.00000 0.02917 0.02055 = 0.02157 -0.00244 0.00442 -0.00138 O2 3 0.201578 0.637149 0.757443 11.00000 0.01632 0.01520 = 0.01796 0.00017 0.00111 -0.00003 O3 3 0.371707 0.809943 0.779579 11.00000 0.02141 0.01904 = 0.02434 0.00021 -0.00040 -0.00471 PART 2 O4 3 0.756733 0.520383 0.434707 -21.00000 0.03368 0.02053 = 0.03444 -0.00192 0.00455 0.00086 AFIX 147 H4A 2 0.745179 0.598892 0.441990 -21.00000 -1.50000 AFIX 0 PART 0 PART 1 O5 3 0.726589 0.327065 0.480459 21.00000 0.02473 0.02387 = 0.02246 0.00024 0.00404 0.00556 AFIX 147 H5A 2 0.750695 0.286705 0.530261 21.00000 -1.50000 AFIX 0 PART 0 O6 3 0.284817 0.223708 0.342294 11.00000 0.02593 0.03051 = 0.02104 -0.00613 -0.00021 0.00392 O7 3 0.347699 0.274325 0.494788 11.00000 0.02777 0.01663 = 0.01606 -0.00031 0.00402 -0.00156 O8 3 0.038187 0.189595 0.776737 11.00000 0.02085 0.02196 = 0.01389 0.00004 0.00176 -0.00601 O9 3 -0.170213 0.200565 0.659400 11.00000 0.02004 0.03302 = 0.02012 -0.00221 0.00096 -0.00884 HKLF 4 REM 5_a.res in P2(1) REM R1 = 0.0361 for 4420 Fo > 4sig(Fo) and 0.0362 for all 4443 data REM 333 parameters refined using 1 restraints END WGHT 0.0716 0.2415 REM Highest difference peak 0.629, deepest hole -0.231, 1-sigma level 0.051 Q1 1 0.7545 0.4757 0.5843 11.00000 0.05 0.63 Q2 1 0.3007 0.4232 0.8769 11.00000 0.05 0.23 Q3 1 0.2654 0.3165 0.7134 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5 13 50.99 3.40 1 5 13 52.09 3.50 1 5 14 13.80 1.70 1 5 14 14.40 1.80 1 5 15 20.20 1.80 -1 6 15 39.00 2.40 -1 6 15 43.10 2.60 -1 6 14 41.50 3.00 -1 6 13 16.10 2.10 -1 6 12 22.60 2.70 -1 6 11 478.05 12.90 -1 6 10 424.56 10.90 -1 6 10 445.56 12.50 -1 6 9 310.87 9.00 -1 6 9 283.47 8.60 -1 6 9 310.07 10.10 -1 6 8 232.78 7.70 -1 6 8 250.57 8.90 1 6 -8 237.48 9.10 1 6 -8 240.98 6.70 1 6 -7 525.25 13.10 1 6 -7 513.55 10.20 -1 6 7 541.85 13.30 -1 6 7 508.15 11.60 -1 6 6 371.16 11.70 -1 6 6 332.97 9.90 1 6 -6 352.46 10.00 1 6 -6 308.57 8.70 -1 6 5 62.39 4.50 1 6 -5 62.79 3.90 -1 6 4 629.04 14.50 1 6 -4 608.64 12.50 -1 6 3 339.27 10.10 1 6 -3 333.77 8.40 1 6 -2 29.60 2.20 -1 6 2 31.20 2.90 -1 6 1 176.18 6.80 1 6 -1 176.58 5.00 -1 6 0 740.73 14.80 -1 6 -1 1496.15 22.40 -1 6 -2 101.69 4.80 -1 6 -3 27.70 2.30 -1 6 -3 28.30 2.50 -1 6 -4 141.49 5.70 -1 6 -5 139.49 6.00 1 6 5 134.69 5.80 -1 6 -6 270.97 9.10 1 6 6 282.67 8.90 1 6 6 291.77 9.40 -1 6 -6 298.77 7.30 1 6 7 125.99 6.00 1 6 7 124.49 6.20 -1 6 -7 115.49 6.10 -1 6 -7 122.89 4.70 1 6 8 196.18 7.90 -1 6 -8 206.58 6.40 1 6 8 205.68 7.90 1 6 9 526.75 13.70 1 6 9 564.34 13.70 1 6 10 34.10 3.30 1 6 10 36.90 3.30 1 6 11 35.00 3.10 1 6 11 37.80 3.40 1 6 12 54.99 3.90 1 6 12 49.99 3.60 1 6 12 48.10 3.40 1 6 13 8.10 1.40 1 6 13 10.10 1.60 1 6 13 10.40 1.40 1 6 14 84.29 3.80 1 6 14 87.69 4.00 1 6 15 105.39 3.50 -1 7 14 86.89 3.70 -1 7 14 92.39 4.00 -1 7 13 22.40 2.30 -1 7 12 81.99 4.70 -1 7 11 65.79 4.50 -1 7 10 209.08 8.30 -1 7 9 205.58 7.10 -1 7 9 211.58 8.50 1 7 -9 205.18 6.00 -1 7 8 301.67 8.70 -1 7 8 286.77 9.80 1 7 -8 303.27 7.60 -1 7 7 118.59 6.10 1 7 -7 124.09 4.70 -1 7 7 128.19 5.50 1 7 -7 115.89 5.10 -1 7 6 11.70 1.70 1 7 -6 12.30 1.50 1 7 -6 12.30 1.70 -1 7 6 13.40 2.00 1 7 -6 9.70 1.80 -1 7 5 594.24 15.80 -1 7 5 591.04 12.30 1 7 -5 562.74 12.00 -1 7 4 592.24 12.20 -1 7 4 591.94 15.50 1 7 -4 590.34 12.30 1 7 -4 550.64 12.50 1 7 -3 16.30 1.90 -1 7 3 15.30 1.80 -1 7 3 14.00 2.30 1 7 -3 14.90 1.70 -1 7 2 222.18 6.80 1 7 -2 217.38 6.60 -1 7 2 231.98 8.90 1 7 -2 220.48 6.90 -1 7 1 607.54 15.00 -1 7 0 335.17 10.50 -1 7 -1 139.69 6.50 1 7 2 484.35 10.90 -1 7 -2 494.05 12.60 -1 7 -2 477.65 9.20 -1 7 -2 452.25 9.80 -1 7 -3 334.87 7.50 1 7 3 300.97 9.50 -1 7 -3 306.87 7.90 1 7 3 335.97 9.10 1 7 4 67.89 4.50 -1 7 -4 77.89 3.50 -1 7 -4 68.19 3.60 1 7 4 72.09 4.10 -1 7 -5 1.50 0.60 -1 7 -5 1.10 0.50 -1 7 -6 510.15 10.20 1 7 6 486.05 12.00 1 7 6 491.95 12.90 -1 7 -7 2.10 0.70 1 7 7 2.40 1.10 1 7 7 3.10 1.10 1 7 8 143.29 6.40 1 7 8 140.49 6.80 -1 7 -8 131.59 5.00 1 7 9 305.57 10.00 1 7 9 317.47 9.60 1 7 10 666.83 14.10 1 7 10 673.33 15.00 1 7 11 15.60 2.20 1 7 11 13.30 1.80 1 7 11 12.80 1.80 1 7 12 121.19 5.20 1 7 12 112.49 4.60 1 7 12 126.99 5.50 1 7 13 12.50 1.30 1 7 13 16.80 1.80 1 7 13 16.70 1.70 1 7 14 219.98 5.40 -1 8 13 10.40 1.40 -1 8 13 8.30 1.20 -1 8 12 12.20 1.70 -1 8 11 311.47 9.20 -1 8 10 126.89 6.00 -1 8 10 107.99 4.40 -1 8 9 340.37 10.50 -1 8 9 350.06 8.80 1 8 -9 341.17 7.60 1 8 -8 116.49 4.90 -1 8 8 116.19 6.00 1 8 -8 124.09 4.50 -1 8 8 122.39 5.20 1 8 -7 98.79 4.60 -1 8 7 103.59 4.90 1 8 -7 104.79 4.20 -1 8 7 103.29 5.70 -1 8 6 264.37 9.20 1 8 -6 250.27 7.60 -1 8 6 265.47 7.90 1 8 -6 267.97 7.00 -1 8 5 51.19 3.40 1 8 -5 47.60 2.80 1 8 -5 49.99 3.30 -1 8 4 211.38 6.90 1 8 -4 205.98 6.90 1 8 -3 70.29 3.90 -1 8 3 73.89 4.00 -1 8 3 70.49 5.50 1 8 -2 265.97 7.60 1 8 -2 259.37 7.40 -1 8 2 214.88 6.00 -1 8 2 232.08 10.00 -1 8 2 244.58 7.30 1 8 -2 242.88 7.40 1 8 -1 510.95 10.90 -1 8 1 517.85 10.90 1 8 -1 514.85 11.30 -1 8 1 497.95 14.60 1 8 -1 527.45 11.20 -1 8 0 95.99 3.90 -1 8 0 89.29 5.90 1 8 0 101.79 4.70 1 8 0 102.79 4.60 1 8 0 99.19 4.60 -1 8 -1 395.36 8.50 1 8 1 403.46 9.60 1 8 1 417.26 10.00 -1 8 -2 275.87 6.90 1 8 2 270.87 7.80 1 8 2 287.07 8.10 1 8 2 266.37 8.00 1 8 3 146.89 5.90 -1 8 -3 142.79 5.40 1 8 3 144.19 5.60 1 8 3 135.69 6.40 -1 8 -3 146.39 4.90 1 8 4 4.00 1.00 -1 8 -4 5.30 1.00 -1 8 -4 5.00 1.00 1 8 4 6.00 1.70 -1 8 -5 193.38 5.90 1 8 5 185.78 7.60 1 8 5 188.28 7.00 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7.60 2 -7 11 295.97 7.70 2 -7 12 33.30 2.30 2 -7 12 36.70 2.40 2 -7 12 39.10 2.40 2 -7 12 38.10 2.50 2 -7 12 40.30 2.50 2 -7 13 104.89 3.70 2 -7 13 102.89 3.70 2 -7 13 106.39 3.80 2 -7 13 103.29 3.70 -2 -7 -13 108.49 3.80 -2 -7 -13 106.09 4.00 -2 -6 15 283.47 6.00 -2 -6 15 284.07 5.90 -2 -6 15 267.97 5.70 -2 -6 14 188.78 5.20 -2 -6 14 189.48 5.20 -2 -6 14 194.78 5.40 -2 -6 14 193.38 5.30 -2 -6 13 109.09 4.20 -2 -6 13 102.99 4.20 -2 -6 13 107.09 4.10 -2 -6 13 109.49 4.30 -2 -6 12 19.40 1.70 -2 -6 12 21.50 1.90 -2 -6 12 22.30 2.00 -2 -6 12 23.70 2.00 -2 -6 11 301.77 7.40 -2 -6 11 315.67 7.80 -2 -6 11 307.57 7.90 -2 -6 10 18.50 1.80 -2 -6 10 20.00 1.80 -2 -6 10 19.20 1.80 -2 -6 10 19.30 1.90 -2 -6 9 198.88 6.00 -2 -6 9 203.48 5.90 -2 -6 9 202.88 6.00 -2 -6 9 202.88 6.40 -2 -6 8 22.50 1.90 -2 -6 8 24.00 2.00 -2 -6 8 17.20 2.60 -2 -6 8 21.70 2.90 -2 -6 7 3.40 1.30 -2 -6 7 1.70 1.20 -2 -6 6 245.58 9.20 -2 -6 6 247.38 8.80 -2 -6 5 64.59 4.50 -2 -6 4 940.01 18.10 -2 -6 3 68.19 4.20 -2 -6 3 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158.48 6.40 2 2 10 149.59 6.20 2 2 10 163.08 7.20 -2 2 -10 152.38 7.10 2 2 10 166.58 7.70 2 2 10 161.88 6.60 2 2 11 367.06 10.20 2 2 11 387.26 11.40 2 2 11 354.26 10.00 2 2 11 362.26 11.80 2 2 11 359.26 10.40 2 2 12 149.88 6.40 2 2 12 156.08 7.50 2 2 12 177.38 7.40 2 2 12 161.38 6.60 2 2 12 152.48 6.60 2 2 13 280.97 8.80 2 2 13 267.27 9.60 2 2 13 279.87 9.00 2 2 13 285.27 8.80 2 2 14 61.99 3.70 2 2 14 52.39 3.70 2 2 14 58.19 3.70 2 2 14 54.29 3.50 2 2 15 24.10 2.10 2 2 15 22.30 2.00 -2 3 16 41.60 2.70 -2 3 16 37.00 2.40 -2 3 15 45.50 2.90 -2 3 15 47.80 3.40 -2 3 15 48.00 3.20 -2 3 14 15.30 2.10 -2 3 14 17.60 2.10 -2 3 13 325.17 9.30 -2 3 13 315.67 10.20 -2 3 12 993.80 17.80 -2 3 11 132.19 5.70 2 3 -11 113.19 6.40 -2 3 10 926.81 16.20 2 3 -10 916.21 18.70 2 3 -9 456.15 11.70 2 3 -8 287.97 8.60 -2 3 8 297.07 9.00 -2 3 7 74.09 4.10 2 3 -7 85.59 4.20 -2 3 6 316.37 8.30 2 3 -6 319.77 7.90 -2 3 5 191.08 5.90 2 3 -5 194.28 5.70 2 3 -4 2260.87 26.10 -2 3 4 2296.57 26.90 -2 3 3 3937.51 40.00 2 3 -3 3889.61 39.80 2 3 -2 1613.74 18.80 -2 3 2 1569.64 18.90 -2 3 1 1950.20 21.50 2 3 -1 1961.30 21.40 -2 3 0 53.59 2.30 -2 3 -1 1221.68 14.70 -2 3 -2 1112.39 13.70 -2 3 -3 73.09 2.70 -2 3 -3 71.09 2.80 -2 3 -4 696.83 11.10 -2 3 -4 693.83 10.10 -2 3 -5 1620.84 18.90 -2 3 -5 1614.14 20.80 -2 3 -6 1417.76 17.60 -2 3 -6 1423.96 20.10 -2 3 -7 365.96 9.40 2 3 8 72.29 4.70 2 3 8 72.49 4.10 -2 3 -8 71.99 4.30 2 3 8 70.19 4.00 -2 3 -9 119.09 6.00 2 3 9 131.09 5.80 2 3 9 122.09 5.70 2 3 9 125.99 6.20 2 3 9 131.89 6.70 2 3 9 123.19 5.50 2 3 10 116.19 6.50 2 3 10 120.89 6.10 2 3 10 118.29 5.70 2 3 10 115.79 6.00 -2 3 -10 99.39 5.80 2 3 10 113.79 5.50 2 3 10 112.99 5.50 2 3 11 1041.30 18.70 2 3 11 983.80 18.50 2 3 11 1031.70 20.90 2 3 11 1048.40 19.80 2 3 11 978.30 19.30 2 3 12 69.29 4.40 2 3 12 60.79 4.10 2 3 12 62.39 4.30 2 3 12 64.39 4.70 2 3 12 66.29 4.50 2 3 13 31.60 2.90 2 3 13 27.40 2.90 2 3 13 29.50 2.80 2 3 14 47.10 3.20 2 3 14 43.10 3.20 2 3 14 45.60 3.20 2 3 15 16.60 1.70 2 3 15 14.10 1.50 -2 4 16 44.70 2.70 -2 4 16 39.50 2.40 -2 4 15 86.59 4.10 -2 4 15 84.39 4.40 -2 4 14 89.19 5.00 -2 4 14 92.29 4.60 -2 4 13 292.67 9.70 -2 4 13 287.07 8.70 -2 4 12 212.78 7.50 -2 4 12 218.48 8.50 -2 4 11 723.13 14.60 2 4 -10 461.25 12.90 -2 4 10 489.95 11.30 2 4 -9 117.39 5.90 -2 4 9 109.19 4.90 -2 4 8 480.75 12.80 2 4 -8 456.05 11.60 2 4 -7 136.79 5.70 -2 4 7 142.99 6.40 -2 4 6 182.68 6.90 2 4 -6 187.68 6.30 -2 4 5 311.37 8.70 2 4 -5 303.87 7.80 2 4 -4 3450.75 37.80 -2 4 4 3521.65 39.70 -2 4 3 4426.86 47.00 2 4 -3 4407.56 45.30 -2 4 2 694.73 11.80 2 4 -2 711.23 11.20 2 4 -1 354.76 6.90 -2 4 1 352.26 7.50 -2 4 0 147.69 4.50 -2 4 0 134.49 3.30 -2 4 -1 16.30 1.20 -2 4 -1 9.80 1.10 -2 4 -2 1059.09 14.10 -2 4 -2 1132.89 14.90 -2 4 -3 2011.80 22.80 -2 4 -3 1924.01 23.00 -2 4 -4 239.28 6.40 -2 4 -4 241.18 5.80 -2 4 -5 212.68 5.60 -2 4 -5 215.18 6.50 -2 4 -6 109.99 4.90 -2 4 -7 17.40 2.10 2 4 7 18.50 2.10 2 4 7 17.60 2.30 2 4 7 15.80 2.10 -2 4 -8 38.50 3.40 2 4 8 42.00 3.70 2 4 8 43.40 3.30 2 4 8 38.60 3.40 2 4 9 42.90 3.40 2 4 9 43.00 3.60 -2 4 -9 42.90 3.80 2 4 9 44.20 3.90 2 4 10 141.49 7.00 2 4 10 138.09 6.70 2 4 10 131.69 6.40 2 4 10 137.69 6.20 2 4 11 242.18 9.30 2 4 11 233.38 8.60 2 4 11 228.78 8.50 2 4 11 238.78 8.40 2 4 12 131.09 6.00 2 4 12 134.19 6.30 2 4 12 131.59 6.50 2 4 12 128.79 6.10 2 4 13 38.50 3.10 2 4 13 36.40 2.90 2 4 13 34.90 2.90 2 4 13 32.60 3.00 2 4 14 123.49 5.00 2 4 14 117.69 4.90 -2 5 16 113.69 3.80 -2 5 16 123.19 4.20 -2 5 15 65.09 3.60 -2 5 14 80.69 4.10 -2 5 14 82.19 4.60 -2 5 13 20.70 2.20 -2 5 13 25.60 2.80 -2 5 12 114.69 5.40 -2 5 12 127.59 6.40 -2 5 11 67.49 4.70 -2 5 11 64.49 4.00 -2 5 10 1410.46 21.90 2 5 -9 94.79 5.00 -2 5 9 96.39 4.70 2 5 -9 102.69 5.80 2 5 -8 343.97 9.90 2 5 -8 380.76 10.80 2 5 -7 368.46 10.20 -2 5 7 362.96 11.50 -2 5 6 129.99 6.40 2 5 -6 120.69 5.40 -2 5 5 126.59 6.00 2 5 -5 122.89 5.20 2 5 -4 1067.09 16.90 -2 5 4 1098.69 18.90 -2 5 3 882.21 15.90 2 5 -3 855.01 14.00 2 5 -2 320.97 7.30 -2 5 2 343.47 9.10 -2 5 1 46.00 3.10 -2 5 0 489.15 10.20 -2 5 -1 38.70 2.60 -2 5 -2 85.99 3.90 -2 5 -2 82.59 3.40 -2 5 -3 295.37 7.30 -2 5 -3 294.07 7.50 -2 5 -4 115.39 4.70 -2 5 -4 119.49 4.60 -2 5 -5 59.19 3.60 2 5 6 10.50 1.60 2 5 6 11.70 1.90 2 5 6 10.70 1.70 -2 5 -6 12.80 1.80 -2 5 -6 13.00 1.50 2 5 7 130.79 6.20 -2 5 -7 128.69 6.10 2 5 7 125.59 5.70 2 5 7 127.59 6.20 -2 5 -7 128.69 4.90 2 5 8 271.97 8.70 2 5 8 269.47 9.30 -2 5 -8 247.48 9.20 2 5 8 275.07 9.60 2 5 9 370.76 11.30 2 5 9 365.06 10.40 2 5 9 371.56 11.20 2 5 10 239.98 8.40 2 5 10 242.88 9.00 2 5 10 243.38 8.80 2 5 10 247.38 9.20 2 5 11 305.17 9.30 2 5 11 300.87 9.80 2 5 11 309.37 9.70 2 5 11 312.37 10.20 2 5 12 31.30 2.90 2 5 12 28.70 2.90 2 5 12 28.50 2.80 2 5 13 1.80 0.80 2 5 13 2.40 0.90 2 5 14 17.00 1.60 2 5 14 17.40 1.70 -2 6 15 255.07 6.50 -2 6 15 285.67 7.10 -2 6 14 194.18 6.70 -2 6 13 107.29 5.40 -2 6 12 17.90 2.40 -2 6 11 319.87 10.30 -2 6 11 285.77 8.50 -2 6 10 20.70 2.60 2 6 -10 16.50 1.90 -2 6 9 204.58 8.30 2 6 -9 196.48 7.10 2 6 -8 19.50 2.60 -2 6 8 24.40 2.70 2 6 -8 19.90 2.30 2 6 -7 1.40 0.80 -2 6 7 3.30 1.20 2 6 -6 253.47 8.30 2 6 -6 253.17 7.40 2 6 -6 256.47 8.50 -2 6 6 270.57 10.30 2 6 -5 60.59 3.90 -2 6 5 66.49 4.80 2 6 -5 64.39 4.00 -2 6 4 971.10 19.20 2 6 -4 939.01 16.20 -2 6 3 74.89 4.70 2 6 -3 71.49 3.80 -2 6 2 424.06 11.50 -2 6 1 222.88 8.00 -2 6 0 699.43 14.50 -2 6 -1 1.10 0.70 -2 6 -2 240.28 7.90 -2 6 -3 216.88 7.50 2 6 4 312.97 9.20 2 6 4 318.47 9.80 -2 6 -4 342.77 7.70 2 6 5 68.69 4.50 -2 6 -5 66.09 4.10 2 6 5 63.69 4.20 -2 6 -5 73.39 3.50 2 6 6 151.88 6.60 -2 6 -6 162.98 5.50 -2 6 -6 138.19 6.50 2 6 6 156.48 6.90 2 6 7 32.50 3.20 2 6 7 29.30 3.00 -2 6 -7 30.50 2.40 -2 6 -7 22.20 2.80 2 6 8 70.99 4.70 2 6 8 70.29 4.70 2 6 9 254.87 9.10 2 6 9 232.48 8.50 2 6 9 259.57 9.10 2 6 10 43.40 3.60 2 6 10 41.30 3.50 2 6 10 45.10 3.70 2 6 11 273.37 8.80 2 6 11 266.87 8.60 2 6 11 278.37 9.00 2 6 12 11.10 1.70 2 6 12 9.10 1.50 2 6 12 9.20 1.50 2 6 13 32.50 2.40 2 6 13 30.60 2.30 -2 7 14 111.19 4.40 -2 7 13 114.69 5.10 -2 7 12 9.40 1.70 -2 7 11 34.00 3.20 -2 7 10 22.40 2.80 2 7 -10 19.20 2.00 -2 7 9 425.76 12.10 2 7 -9 397.46 10.00 2 7 -8 26.40 2.10 -2 7 8 27.80 3.00 2 7 -8 25.30 2.40 2 7 -7 221.48 6.40 -2 7 7 226.98 8.40 2 7 -7 213.88 7.40 -2 7 6 100.89 5.50 -2 7 6 101.49 4.60 -2 7 6 107.09 6.90 2 7 -6 90.89 5.20 2 7 -6 101.69 5.00 2 7 -5 33.30 2.70 -2 7 5 28.50 3.50 -2 7 5 28.20 2.40 2 7 -5 28.50 2.60 2 7 -5 26.20 2.70 2 7 -4 85.59 4.20 2 7 -4 74.59 4.30 -2 7 4 75.59 3.90 -2 7 4 76.09 5.50 2 7 -4 79.49 4.40 -2 7 3 314.17 8.20 2 7 -3 338.17 8.70 2 7 -3 313.57 8.40 -2 7 3 328.17 11.40 2 7 -3 334.17 9.10 -2 7 2 23.80 3.00 2 7 -2 29.50 2.50 2 7 -2 22.60 2.20 -2 7 2 24.40 2.20 2 7 -2 26.50 2.50 2 7 -1 259.67 7.80 2 7 -1 256.27 7.60 2 7 -1 272.07 8.10 2 7 0 508.35 11.40 -2 7 0 495.95 9.40 2 7 0 492.45 11.10 2 7 0 518.35 11.40 2 7 1 596.24 12.70 -2 7 -1 626.94 15.10 2 7 1 603.44 12.70 -2 7 -1 614.24 10.70 2 7 2 29.90 2.70 -2 7 -2 39.60 2.50 2 7 2 30.90 2.70 2 7 2 35.20 2.90 -2 7 -2 33.50 3.30 2 7 2 33.70 2.60 2 7 3 386.66 10.20 2 7 3 364.46 10.00 2 7 3 428.56 10.70 2 7 3 437.46 11.80 -2 7 -3 419.46 8.80 -2 7 -4 715.13 12.10 2 7 4 696.63 14.50 2 7 4 741.63 16.00 2 7 5 238.38 8.20 2 7 5 243.28 8.80 -2 7 -5 251.07 6.80 -2 7 -6 76.19 3.80 2 7 6 77.59 5.00 2 7 6 76.09 4.60 2 7 7 286.47 9.70 2 7 7 258.87 8.70 2 7 7 290.27 9.30 -2 7 -7 269.67 7.40 2 7 8 134.89 6.50 2 7 8 123.69 5.90 2 7 8 137.89 6.30 2 7 9 87.89 5.10 2 7 9 84.09 4.80 2 7 9 95.79 5.10 2 7 10 188.28 7.30 2 7 10 182.98 6.90 2 7 10 188.58 7.00 2 7 11 310.47 8.60 2 7 11 294.67 8.40 2 7 11 307.97 9.00 2 7 12 37.20 2.60 2 7 12 34.60 2.50 2 7 13 99.09 3.70 2 7 13 88.19 3.30 -2 8 13 64.99 3.30 -2 8 12 11.10 1.50 -2 8 11 19.70 2.20 -2 8 10 19.00 2.30 2 8 -10 17.80 1.70 -2 8 9 62.39 4.30 2 8 -9 55.39 3.30 2 8 -9 56.29 2.90 -2 8 8 67.99 4.50 2 8 -8 69.09 3.30 2 8 -8 70.09 3.90 2 8 -7 1.90 0.70 -2 8 7 1.70 0.80 -2 8 7 1.10 0.60 2 8 -7 1.70 0.90 2 8 -6 263.17 7.00 -2 8 6 252.77 8.90 2 8 -6 271.07 8.20 -2 8 5 25.90 2.30 2 8 -5 29.40 2.70 2 8 -4 13.50 1.70 -2 8 4 14.20 1.70 2 8 -4 15.30 1.90 2 8 -3 55.79 3.40 -2 8 3 50.69 4.90 -2 8 3 59.19 3.50 2 8 -3 57.99 3.70 2 8 -2 47.50 3.20 2 8 -2 47.50 3.20 -2 8 2 44.90 4.50 -2 8 2 42.60 2.50 2 8 -2 50.59 3.50 2 8 -1 431.46 10.30 2 8 -1 444.46 10.30 -2 8 1 394.96 13.30 -2 8 1 415.16 8.70 2 8 -1 462.65 10.90 -2 8 0 475.65 9.40 2 8 0 471.85 11.10 2 8 0 478.65 11.00 2 8 0 504.15 11.40 2 8 1 514.75 11.70 2 8 1 516.75 11.60 2 8 1 553.74 11.90 -2 8 -1 538.05 10.10 2 8 2 200.68 7.00 -2 8 -2 204.98 5.90 2 8 2 199.58 7.10 2 8 2 213.98 7.00 2 8 3 404.96 10.20 2 8 3 392.76 10.30 -2 8 -3 400.36 8.70 2 8 4 442.36 10.70 2 8 4 455.65 11.40 -2 8 -4 455.25 9.40 2 8 5 45.10 3.80 2 8 5 43.20 3.40 -2 8 -5 44.50 2.80 -2 8 -6 514.25 10.40 2 8 6 503.45 12.10 2 8 6 523.75 13.40 2 8 7 7.70 1.40 2 8 7 9.20 1.80 2 8 8 169.78 7.10 2 8 8 154.28 6.10 2 8 8 166.88 6.50 2 8 9 136.59 5.60 2 8 9 151.98 5.90 2 8 10 101.99 4.50 2 8 10 111.99 4.80 2 8 11 18.30 1.70 2 8 11 19.90 1.80 2 8 12 11.90 1.20 -2 9 12 108.99 3.90 -2 9 11 146.69 5.20 2 9 -10 83.49 3.20 -2 9 10 90.59 4.40 2 9 -9 36.40 2.40 -2 9 9 34.80 2.90 2 9 -9 39.50 2.20 2 9 -8 13.70 1.60 -2 9 8 15.50 2.00 2 9 -8 14.80 1.40 -2 9 7 60.89 3.30 2 9 -7 59.19 3.00 2 9 -7 60.39 3.40 2 9 -6 359.86 9.10 -2 9 6 370.36 8.70 2 9 -6 353.86 8.00 2 9 -5 81.39 3.70 2 9 -5 83.79 4.30 2 9 -4 280.97 8.20 2 9 -3 279.87 8.20 2 9 -2 334.67 8.70 2 9 -2 346.77 9.20 2 9 -1 308.27 8.40 2 9 -1 320.77 8.90 2 9 -1 304.87 8.40 -2 9 1 303.07 7.30 2 9 0 52.29 3.40 2 9 0 51.19 3.40 2 9 0 48.30 3.20 -2 9 0 47.30 2.80 2 9 1 251.67 7.60 -2 9 -1 242.28 6.50 2 9 1 243.18 7.60 2 9 2 118.89 5.10 2 9 2 112.39 5.10 -2 9 -2 115.59 4.40 2 9 3 160.48 5.90 2 9 3 162.28 6.20 -2 9 -3 167.88 5.40 2 9 4 244.68 7.20 2 9 4 242.68 7.70 -2 9 -4 239.58 6.50 2 9 5 233.18 7.50 -2 9 -5 229.58 6.30 -2 9 -6 154.08 5.10 2 9 6 160.78 6.10 2 9 7 98.69 4.60 2 9 8 3.80 1.00 2 9 9 159.28 5.30 2 9 10 6.10 1.00 2 9 11 56.49 2.40 2 10 -9 13.10 1.10 2 10 -8 5.50 0.90 2 10 -8 8.00 0.90 2 10 -7 51.49 2.50 2 10 -7 52.49 2.90 2 10 -6 1.70 0.70 2 10 -6 0.00 0.30 2 10 -5 61.39 3.40 2 10 -5 57.69 2.90 2 10 -4 91.09 3.70 2 10 -4 92.29 4.20 2 10 -3 31.20 2.20 2 10 -3 34.10 2.60 2 10 -2 11.70 1.60 -2 10 1 159.58 5.00 2 10 -1 173.68 6.10 -2 10 0 149.19 4.80 2 10 1 9.60 1.40 -2 10 -1 9.60 1.20 2 10 2 82.49 4.00 -2 10 -2 83.19 3.60 2 10 3 92.99 4.30 -2 10 -3 93.59 3.80 2 10 4 64.69 3.50 -2 10 -4 62.49 3.00 -2 10 -5 32.80 2.10 2 10 5 33.10 2.50 2 10 6 224.38 6.30 2 10 7 4.90 0.90 2 10 8 14.60 1.40 2 10 9 8.60 1.00 2 11 -7 23.80 1.40 2 11 -6 17.20 1.30 2 11 -5 28.80 1.80 2 11 -4 106.79 3.60 2 11 -3 120.49 3.90 2 11 -2 88.29 3.40 -2 11 1 43.20 2.20 2 11 -1 49.80 2.50 2 11 0 7.90 1.00 -2 11 0 7.30 1.00 2 11 1 45.60 2.40 -2 11 -1 43.90 2.30 2 11 2 6.00 0.80 -2 11 -2 4.60 0.80 2 11 3 58.49 2.50 2 11 4 10.60 1.20 2 11 5 157.98 4.60 2 11 6 8.60 1.00 2 11 7 16.90 1.30 2 12 -5 123.59 3.00 2 12 -4 51.59 2.00 2 12 -3 80.59 2.60 2 12 -2 165.68 3.90 2 12 -1 30.50 1.60 2 12 0 15.90 1.10 2 12 1 62.59 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45.80 3.30 4 5 2 108.69 5.50 -4 5 -2 106.59 5.10 4 5 3 88.69 5.00 -4 5 -3 100.39 5.00 4 5 4 45.60 3.70 -4 5 -4 49.70 3.50 4 5 5 421.16 11.00 4 5 5 418.96 11.90 4 5 6 113.19 5.50 4 5 6 108.09 5.90 4 5 7 182.08 7.10 4 5 7 179.88 7.80 4 5 8 390.46 10.70 4 5 8 389.86 11.60 4 5 9 100.69 5.10 4 5 9 102.69 5.70 4 5 10 42.90 3.50 4 5 11 41.80 3.10 4 5 11 40.30 3.20 4 5 12 42.70 2.70 4 5 12 55.49 3.30 4 5 13 33.30 2.10 -4 6 15 113.69 3.90 -4 6 14 165.88 5.60 -4 6 13 53.79 3.50 -4 6 12 8.90 1.60 4 6 -12 9.20 1.40 4 6 -11 37.40 2.90 -4 6 11 46.90 3.70 4 6 -10 44.40 3.40 4 6 -9 86.19 5.00 4 6 -8 124.29 6.10 4 6 -7 93.19 5.30 4 6 -6 64.09 4.40 4 6 -6 70.49 4.10 -4 6 6 62.29 4.80 -4 6 6 55.99 5.10 4 6 -5 183.98 7.50 4 6 -5 177.38 6.80 -4 6 5 181.28 8.10 -4 6 5 190.38 9.10 4 6 -4 122.29 6.10 4 6 -4 121.39 5.60 -4 6 4 117.29 6.30 -4 6 4 124.99 7.10 4 6 -3 150.18 6.70 4 6 -3 143.79 6.30 -4 6 3 143.09 6.90 -4 6 3 142.89 7.30 4 6 -2 226.28 8.20 4 6 -2 223.68 8.00 -4 6 2 228.48 9.00 -4 6 2 221.98 8.40 4 6 -1 47.30 3.60 4 6 -1 50.49 3.80 4 6 -1 56.09 3.80 -4 6 1 52.19 4.00 -4 6 1 51.59 4.10 4 6 0 16.40 2.20 4 6 0 17.90 2.20 -4 6 0 17.50 2.20 -4 6 0 18.10 2.50 4 6 0 21.40 2.30 4 6 1 41.20 3.50 4 6 1 42.40 3.40 -4 6 -1 34.40 3.10 4 6 1 35.90 3.00 -4 6 -1 41.20 3.60 4 6 2 518.25 13.30 4 6 2 535.15 13.00 4 6 2 487.95 12.20 -4 6 -2 505.05 13.10 4 6 3 256.77 9.30 4 6 3 266.67 9.10 4 6 3 267.57 8.90 -4 6 -3 238.88 8.90 4 6 4 54.59 4.20 4 6 4 52.79 4.00 4 6 4 55.89 4.00 4 6 5 110.99 6.00 4 6 5 110.79 5.90 4 6 5 110.29 5.80 4 6 6 107.49 5.80 4 6 6 111.69 6.00 4 6 6 115.09 5.40 4 6 6 114.29 6.00 4 6 7 59.49 4.30 4 6 7 62.49 4.00 4 6 7 60.79 4.40 4 6 8 33.90 3.10 4 6 8 39.60 3.10 4 6 8 40.20 3.40 4 6 9 86.19 4.80 4 6 9 93.39 5.00 4 6 10 423.36 10.30 4 6 10 457.35 10.80 4 6 11 12.40 1.60 4 6 12 29.70 2.10 -4 7 14 14.30 1.40 -4 7 13 392.16 8.90 -4 7 12 115.79 5.10 4 7 -12 104.39 3.90 -4 7 11 86.19 4.70 4 7 -11 81.49 3.90 -4 7 10 19.40 2.30 4 7 -10 19.80 2.10 -4 7 9 34.00 3.10 4 7 -9 34.20 2.90 4 7 -8 196.48 7.30 -4 7 8 186.78 7.50 4 7 -7 11.20 1.80 4 7 -7 15.10 1.80 -4 7 7 13.90 2.10 4 7 -6 282.37 9.10 4 7 -6 290.77 8.30 4 7 -5 76.69 4.70 4 7 -5 74.29 4.20 4 7 -4 34.00 3.10 4 7 -4 30.70 2.80 -4 7 4 27.20 3.20 4 7 -3 23.60 2.50 -4 7 3 23.90 2.90 -4 7 3 21.50 3.10 4 7 -3 23.30 2.60 4 7 -2 37.20 3.20 -4 7 2 34.70 3.50 -4 7 2 33.10 3.80 4 7 -2 40.20 3.40 4 7 -1 357.06 10.20 -4 7 1 332.67 10.80 -4 7 1 342.47 12.30 4 7 -1 373.66 10.30 4 7 0 255.97 8.70 -4 7 0 234.08 8.90 -4 7 0 246.98 10.30 4 7 0 260.97 8.30 4 7 1 593.44 14.00 4 7 1 577.44 12.80 4 7 2 155.68 6.90 4 7 2 163.08 6.80 4 7 2 153.08 6.40 4 7 3 386.56 11.20 4 7 3 400.86 11.20 4 7 3 381.16 10.50 4 7 4 204.78 8.00 4 7 4 208.58 7.90 4 7 4 203.18 7.60 4 7 5 43.70 3.50 4 7 5 49.30 3.80 4 7 5 41.80 3.50 4 7 6 179.88 7.20 4 7 6 176.68 7.00 4 7 7 301.87 9.20 4 7 7 324.07 9.40 4 7 8 60.89 3.80 4 7 8 62.89 3.90 4 7 9 356.36 8.90 4 7 9 392.16 9.60 4 7 10 100.39 4.30 4 7 11 14.90 1.50 -4 8 12 92.79 3.80 -4 8 11 212.28 6.60 4 8 -11 209.08 5.50 -4 8 10 66.69 3.80 4 8 -10 66.69 3.40 -4 8 9 111.39 5.20 4 8 -9 116.79 4.80 4 8 -8 44.80 2.50 4 8 -8 49.50 3.30 4 8 -7 183.18 6.70 4 8 -6 461.95 10.30 4 8 -6 455.05 11.10 4 8 -5 519.85 11.30 4 8 -5 526.65 12.30 4 8 -4 74.99 4.20 4 8 -4 80.59 4.60 4 8 -3 6.30 1.30 4 8 -3 6.70 1.30 4 8 -2 139.99 6.00 4 8 -2 139.89 6.10 4 8 -1 1248.58 20.40 4 8 -1 1266.67 20.30 4 8 0 129.79 5.90 4 8 0 128.39 5.40 4 8 0 139.19 5.80 4 8 1 786.52 15.70 4 8 1 734.83 14.40 4 8 2 98.49 5.20 4 8 2 90.39 4.70 4 8 3 226.38 7.90 4 8 3 210.18 7.30 4 8 4 229.38 7.80 4 8 4 242.38 8.10 4 8 4 222.48 7.60 4 8 5 19.30 2.10 4 8 5 22.80 2.40 4 8 5 19.60 2.20 4 8 6 230.48 7.40 4 8 6 234.38 7.50 4 8 7 38.50 2.80 4 8 7 40.30 2.90 4 8 8 239.78 6.90 4 8 9 23.80 1.90 4 8 10 88.79 3.40 4 9 -10 57.09 2.60 4 9 -9 68.19 3.10 4 9 -8 54.59 2.50 4 9 -8 61.39 3.20 4 9 -7 3.60 0.90 4 9 -7 3.00 0.60 4 9 -6 148.89 5.50 4 9 -5 210.08 6.40 4 9 -5 194.78 6.60 4 9 -4 48.30 3.10 4 9 -4 44.10 3.10 4 9 -3 6.30 1.20 4 9 -3 5.20 1.10 4 9 -2 92.79 4.50 4 9 -2 92.69 4.50 4 9 -1 236.28 7.40 4 9 -1 228.38 7.20 4 9 0 105.69 4.90 4 9 0 102.79 4.40 4 9 0 110.09 4.80 4 9 1 34.10 2.80 4 9 1 35.70 2.60 4 9 2 36.00 2.80 4 9 2 30.90 2.50 4 9 3 1.00 0.60 4 9 3 2.30 0.80 4 9 4 80.79 3.90 4 9 4 75.29 3.80 4 9 5 112.29 4.30 4 9 5 119.59 4.80 4 9 6 214.38 6.30 4 9 7 88.79 3.70 4 9 8 67.59 3.00 4 9 9 152.48 4.00 4 10 -9 7.40 0.80 4 10 -8 133.99 4.00 4 10 -7 33.40 1.80 4 10 -7 33.50 2.10 4 10 -6 47.50 2.30 4 10 -6 49.10 2.70 4 10 -5 68.19 2.90 4 10 -5 70.19 3.30 4 10 -4 36.30 2.50 4 10 -3 67.59 3.40 4 10 -2 14.70 1.60 4 10 -2 13.50 1.60 4 10 -1 13.60 1.50 4 10 -1 14.60 1.60 4 10 0 1.90 0.70 4 10 1 121.29 4.60 4 10 2 111.49 4.30 4 10 2 107.39 4.00 4 10 3 182.28 5.30 4 10 3 168.68 5.10 4 10 4 63.79 3.00 4 10 5 21.60 1.60 4 10 6 268.27 5.80 4 10 7 23.10 1.40 4 11 -6 2.80 0.50 4 11 -5 41.20 1.80 4 11 -4 2.00 0.50 4 11 -3 29.50 1.70 4 11 -2 111.59 3.40 4 11 -1 85.49 2.90 4 11 0 102.99 3.20 4 11 1 14.90 1.20 4 11 2 21.60 1.30 -5 -10 8 38.80 1.60 -5 -10 7 71.59 2.30 -5 -10 6 18.20 1.20 -5 -10 6 18.80 1.20 -5 -10 5 10.80 1.00 -5 -10 5 11.00 1.00 -5 -10 5 11.40 1.00 -5 -10 4 75.09 2.60 -5 -10 3 4.30 0.70 -5 -10 1 3.00 0.60 -5 -10 0 42.30 2.10 -5 -10 0 39.90 2.00 -5 -10 -1 172.68 4.40 -5 -10 -2 48.00 2.20 -5 -10 -3 29.80 1.70 -5 -10 -4 23.70 1.40 -5 -10 -5 126.59 3.20 -5 -9 10 55.69 2.00 -5 -9 10 53.39 2.00 -5 -9 9 4.00 0.60 -5 -9 9 4.90 0.70 -5 -9 9 3.90 0.60 -5 -9 9 4.00 0.60 -5 -9 8 6.60 0.80 -5 -9 8 6.00 0.80 -5 -9 8 5.40 0.70 -5 -9 8 5.50 0.80 -5 -9 7 30.50 1.70 -5 -9 7 31.00 1.80 -5 -9 7 30.80 1.80 -5 -9 6 21.30 1.60 -5 -9 6 21.30 1.60 -5 -9 5 8.60 1.10 -5 -9 4 207.58 5.60 -5 -9 3 33.90 2.20 -5 -9 2 120.09 4.30 -5 -9 1 87.99 3.60 -5 -9 -3 117.09 4.10 -5 -9 -4 119.49 4.10 -5 -9 -5 42.10 2.30 -5 -9 -5 36.10 2.10 -5 -9 -6 175.28 4.60 -5 -9 -6 163.88 4.30 -5 -9 -7 24.00 1.50 -5 -8 12 74.09 2.40 -5 -8 11 57.69 2.40 -5 -8 11 60.29 2.30 -5 -8 11 56.59 2.30 -5 -8 11 52.09 2.10 -5 -8 10 40.70 2.20 -5 -8 10 44.60 2.10 -5 -8 10 43.70 2.20 -5 -8 10 43.60 2.10 -5 -8 9 62.89 2.70 -5 -8 9 59.59 2.70 -5 -8 9 57.39 2.60 -5 -8 8 10.20 1.10 -5 -8 8 8.00 1.10 -5 -8 8 9.70 1.20 -5 -8 8 8.80 1.10 -5 -8 7 64.89 2.90 -5 -8 7 66.39 3.10 -5 -8 7 64.49 3.10 -5 -8 7 60.59 3.10 -5 -8 6 88.79 3.60 -5 -8 6 85.79 3.80 -5 -8 5 225.28 6.20 -5 -8 5 225.88 6.60 -5 -8 4 71.59 3.50 -5 -8 3 152.18 5.40 -5 -8 2 32.20 2.40 -5 -8 0 8.90 1.40 -5 -8 -1 139.89 5.30 -5 -8 -2 1.00 0.60 -5 -8 -3 254.37 7.20 -5 -8 -3 245.28 6.90 -5 -8 -4 86.39 4.00 -5 -8 -5 85.09 3.90 -5 -8 -6 5.40 1.00 -5 -8 -7 3.10 0.80 -5 -8 -8 124.09 4.00 -5 -8 -8 115.99 3.90 -5 -8 -9 9.60 1.00 -5 -8 -9 9.00 1.00 -5 -7 13 18.40 1.30 -5 -7 13 16.90 1.20 -5 -7 12 11.60 1.10 -5 -7 12 10.30 1.00 -5 -7 12 11.90 1.10 -5 -7 12 8.70 0.90 -5 -7 11 105.59 3.70 -5 -7 11 107.59 3.50 -5 -7 11 105.79 3.60 -5 -7 11 100.09 3.50 -5 -7 11 107.09 3.60 -5 -7 11 102.19 3.60 -5 -7 10 7.00 1.00 -5 -7 10 6.30 0.90 -5 -7 10 5.40 0.90 -5 -7 10 5.40 0.90 -5 -7 10 5.50 0.90 -5 -7 9 289.37 6.60 -5 -7 9 306.67 7.00 -5 -7 9 312.17 6.90 -5 -7 9 304.47 7.00 -5 -7 9 281.67 7.20 -5 -7 8 65.69 3.10 -5 -7 8 69.19 3.30 -5 -7 8 68.49 3.30 -5 -7 8 63.49 3.40 -5 -7 7 362.06 8.20 -5 -7 7 388.46 8.20 -5 -7 7 368.86 8.80 -5 -7 6 29.40 2.30 -5 -7 6 31.30 2.30 -5 -7 6 29.80 2.40 -5 -7 5 76.89 3.80 -5 -7 4 61.39 3.50 -5 -7 3 64.59 3.80 -5 -7 3 67.99 3.60 -5 -7 2 155.18 6.10 -5 -7 1 669.03 13.60 -5 -7 0 157.98 6.00 -5 -7 -1 649.24 13.10 -5 -7 -2 492.75 11.00 -5 -7 -3 82.39 4.20 -5 -7 -4 81.19 4.20 -5 -7 -5 3.80 0.90 -5 -7 -5 2.00 0.70 5 -7 6 69.89 3.70 -5 -7 -6 61.29 3.50 5 -7 6 70.69 3.70 -5 -7 -6 72.59 3.90 5 -7 7 231.08 6.80 5 -7 7 227.18 6.70 -5 -7 -7 230.08 6.80 5 -7 8 202.78 6.10 5 -7 8 195.68 6.00 5 -7 8 187.78 6.10 -5 -7 -8 206.28 6.10 5 -7 9 2.50 0.70 -5 -7 -9 2.40 0.70 5 -7 9 2.90 0.80 -5 -7 -9 2.70 0.70 -5 -7 -10 1.40 0.50 -5 -7 -10 1.20 0.50 -5 -7 -10 1.20 0.50 -5 -6 14 52.89 2.20 -5 -6 14 54.69 2.10 -5 -6 14 48.30 2.00 -5 -6 13 50.19 2.30 -5 -6 13 45.80 2.30 -5 -6 12 37.50 2.20 -5 -6 12 35.40 2.10 -5 -6 12 37.40 2.10 -5 -6 12 30.70 1.80 -5 -6 12 33.80 2.20 -5 -6 11 23.10 1.90 -5 -6 11 27.60 1.90 -5 -6 11 24.90 1.90 -5 -6 11 25.10 1.90 -5 -6 11 25.00 2.00 -5 -6 10 84.69 3.50 -5 -6 10 87.19 3.70 -5 -6 10 87.89 3.70 -5 -6 10 86.59 3.90 -5 -6 9 148.29 4.80 -5 -6 9 153.78 4.90 -5 -6 9 157.18 5.20 -5 -6 9 158.08 5.20 -5 -6 9 146.99 5.40 -5 -6 8 41.50 2.60 -5 -6 8 37.60 2.50 -5 -6 8 41.10 2.60 -5 -6 8 34.40 2.60 -5 -6 7 158.18 5.50 -5 -6 7 164.38 5.30 -5 -6 7 163.08 5.90 -5 -6 6 62.39 3.40 -5 -6 6 60.39 3.20 -5 -6 5 174.78 6.30 -5 -6 5 177.48 6.00 -5 -6 4 255.47 7.80 -5 -6 4 248.58 7.30 -5 -6 4 241.68 7.00 5 -6 -4 247.98 8.60 -5 -6 4 226.08 8.10 -5 -6 3 84.99 4.90 -5 -6 3 92.19 4.70 -5 -6 3 88.09 4.20 5 -6 -3 93.49 5.10 -5 -6 3 83.09 4.80 -5 -6 3 85.79 4.90 -5 -6 2 138.99 5.80 -5 -6 2 144.39 6.30 5 -6 -2 143.99 6.40 -5 -6 2 129.29 6.20 -5 -6 2 143.09 6.20 -5 -6 1 181.38 6.50 5 -6 -1 196.98 7.70 -5 -6 1 180.28 7.40 -5 -6 1 192.78 7.30 -5 -6 1 186.68 7.00 -5 -6 0 319.37 8.90 -5 -6 0 334.07 9.70 5 -6 0 336.57 10.50 -5 -6 0 335.77 9.50 -5 -6 -1 415.86 10.80 5 -6 1 407.56 11.90 -5 -6 -2 69.69 4.00 -5 -6 -3 332.87 9.10 -5 -6 -4 140.99 5.90 -5 -6 -4 141.59 5.80 5 -6 5 73.09 4.00 -5 -6 -5 72.89 4.20 5 -6 5 74.09 4.00 -5 -6 -5 75.29 4.20 5 -6 6 53.79 3.40 -5 -6 -6 46.80 3.40 5 -6 6 52.69 3.40 5 -6 6 54.19 3.70 -5 -6 -6 48.20 3.30 5 -6 7 114.39 4.90 -5 -6 -7 103.19 4.90 5 -6 7 114.99 4.90 5 -6 7 118.59 5.40 -5 -6 -7 111.89 5.00 5 -6 8 200.38 6.50 -5 -6 -8 189.68 6.60 5 -6 8 196.68 6.80 -5 -6 -8 207.18 6.70 5 -6 8 199.08 6.50 5 -6 9 29.50 2.40 -5 -6 -9 30.60 2.50 5 -6 9 27.00 2.20 5 -6 9 31.30 2.50 -5 -6 -9 31.00 2.40 5 -6 10 54.19 3.00 -5 -6 -10 57.49 3.00 -5 -6 -10 51.69 2.90 5 -6 10 53.19 3.00 -5 -6 -11 41.10 2.20 -5 -6 -11 41.90 2.30 -5 -6 -11 45.00 2.30 -5 -5 14 29.00 1.80 -5 -5 14 27.70 1.70 -5 -5 14 31.90 1.90 -5 -5 14 29.00 1.70 -5 -5 13 139.19 4.40 -5 -5 13 129.29 4.10 -5 -5 13 133.09 4.50 -5 -5 12 28.50 2.10 -5 -5 12 26.00 1.90 -5 -5 12 27.20 2.00 -5 -5 12 27.90 2.20 -5 -5 11 131.59 4.80 -5 -5 11 128.69 4.50 -5 -5 11 133.29 4.70 -5 -5 11 136.59 4.70 -5 -5 11 134.39 5.00 -5 -5 10 74.99 3.40 -5 -5 10 74.69 3.60 -5 -5 10 75.89 3.60 -5 -5 10 78.89 3.60 -5 -5 10 73.99 3.80 -5 -5 9 40.70 2.60 -5 -5 9 36.90 2.40 -5 -5 9 33.50 2.50 -5 -5 9 36.10 2.50 -5 -5 9 34.50 2.40 -5 -5 9 37.50 2.80 -5 -5 8 196.38 5.80 -5 -5 8 186.08 5.80 -5 -5 8 185.68 5.80 -5 -5 8 190.18 6.40 -5 -5 7 131.89 5.00 -5 -5 7 140.89 4.90 -5 -5 7 139.69 5.50 -5 -5 6 135.19 5.10 -5 -5 6 122.39 6.00 -5 -5 6 130.09 4.70 -5 -5 5 24.70 2.30 -5 -5 5 28.50 2.40 -5 -5 5 21.10 2.40 -5 -5 5 21.70 2.00 -5 -5 5 26.20 2.60 -5 -5 5 18.90 2.20 -5 -5 4 36.30 2.90 -5 -5 4 44.80 3.40 -5 -5 4 36.30 2.60 5 -5 -4 40.00 3.20 -5 -5 4 33.00 2.90 -5 -5 4 38.60 3.00 -5 -5 3 1199.08 19.60 -5 -5 3 1159.48 19.00 -5 -5 3 1193.88 19.90 -5 -5 3 1153.88 19.40 5 -5 -3 1231.28 19.70 -5 -5 3 1177.88 19.10 -5 -5 2 90.49 4.40 -5 -5 2 105.89 5.00 5 -5 -2 103.49 5.00 -5 -5 2 98.59 5.10 -5 -5 2 103.79 4.80 -5 -5 1 51.89 3.40 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237.08 7.80 5 8 -4 73.99 4.00 5 8 -4 71.39 4.20 5 8 -3 166.48 6.40 5 8 -3 173.08 6.50 5 8 -2 38.40 3.10 -5 8 2 30.60 3.20 5 8 -2 38.40 3.00 5 8 -1 217.88 7.60 -5 8 1 206.58 8.20 5 8 0 11.30 1.80 5 8 1 160.38 6.50 5 8 2 1.90 0.90 5 8 2 1.40 0.70 5 8 3 288.47 8.70 5 8 3 262.87 7.60 5 8 4 99.59 4.80 5 8 4 91.89 4.30 5 8 5 94.99 4.40 5 8 5 85.59 4.10 5 8 6 7.20 1.20 5 8 7 2.30 0.70 5 8 8 119.49 4.00 5 8 9 8.60 0.90 5 9 -10 52.49 2.20 5 9 -9 3.80 0.70 5 9 -8 6.30 1.00 5 9 -7 27.80 1.70 5 9 -7 30.70 2.20 5 9 -6 20.60 1.90 5 9 -5 8.70 1.20 5 9 -5 8.70 1.30 5 9 -4 243.68 6.80 5 9 -4 245.78 7.10 5 9 -3 38.80 2.70 5 9 -3 37.80 2.70 5 9 -2 141.79 5.30 5 9 -2 137.09 5.10 5 9 -1 103.19 4.50 5 9 -1 103.89 4.30 5 9 0 81.49 4.00 5 9 1 228.28 6.90 5 9 2 15.90 1.70 5 9 3 143.39 5.10 5 9 3 127.99 4.40 5 9 4 142.59 4.80 5 9 4 128.39 4.40 5 9 5 41.80 2.30 5 9 5 44.70 2.40 5 9 6 191.38 4.90 5 9 7 25.50 1.60 5 10 -8 43.00 1.90 5 10 -7 70.69 2.70 5 10 -6 20.60 1.30 5 10 -6 20.00 1.50 5 10 -5 11.40 1.10 5 10 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223.28 6.40 -6 -7 -6 123.49 4.50 -6 -7 -6 124.29 4.50 -6 -7 -7 103.89 3.80 -6 -7 -7 105.39 3.60 -6 -7 -7 102.89 3.90 -6 -7 -8 96.99 3.40 -6 -7 -8 91.19 2.90 -6 -7 -8 100.59 3.50 -6 -6 13 28.10 1.60 -6 -6 12 33.00 1.90 -6 -6 12 31.70 1.80 -6 -6 12 30.90 1.70 -6 -6 12 33.70 1.90 -6 -6 11 1.90 0.60 -6 -6 11 2.20 0.50 -6 -6 11 1.00 0.40 -6 -6 11 1.00 0.40 -6 -6 11 1.10 0.40 -6 -6 11 1.20 0.50 -6 -6 10 176.88 4.80 -6 -6 10 183.58 5.00 -6 -6 10 179.18 5.00 -6 -6 10 173.68 5.30 -6 -6 9 36.20 2.20 -6 -6 9 36.40 2.20 -6 -6 9 33.00 2.20 -6 -6 9 35.20 2.20 -6 -6 9 34.30 2.20 -6 -6 9 32.30 2.30 -6 -6 8 143.39 4.60 -6 -6 8 138.19 4.40 -6 -6 8 135.69 4.80 -6 -6 8 140.59 4.70 -6 -6 8 139.99 4.70 -6 -6 8 140.69 5.10 -6 -6 7 101.09 4.20 -6 -6 7 111.79 4.20 -6 -6 7 106.69 4.60 -6 -6 6 96.39 4.20 -6 -6 6 99.39 4.00 -6 -6 6 102.29 4.60 -6 -6 5 297.47 8.30 -6 -6 5 308.17 7.90 -6 -6 5 299.07 7.30 -6 -6 5 294.77 7.50 -6 -6 4 0.90 0.60 -6 -6 4 0.90 0.60 -6 -6 4 0.90 0.70 -6 -6 3 145.29 5.90 -6 -6 3 149.29 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148.69 6.40 8 2 -5 91.89 5.40 -8 2 5 88.99 4.90 8 2 -4 584.74 14.20 -8 2 4 592.84 13.30 -8 2 3 15.50 2.00 -8 2 2 115.69 5.40 -8 2 1 214.28 7.40 -8 2 0 46.40 3.30 -8 2 -1 273.47 8.20 8 2 2 39.80 3.10 -8 2 -2 44.70 3.10 8 2 3 42.20 3.20 -8 2 -3 44.10 3.00 8 2 4 157.68 6.10 -8 2 -4 170.68 5.80 8 2 5 10.20 1.50 -8 2 -5 11.90 1.40 8 2 6 59.29 3.30 -8 2 -6 57.59 2.90 8 2 7 188.28 5.50 8 2 8 5.10 0.80 8 3 -12 3.30 0.80 8 3 -11 52.49 3.10 8 3 -10 138.59 5.60 8 3 -9 38.50 3.10 8 3 -8 30.10 2.90 -8 3 8 24.50 2.50 8 3 -7 106.99 5.50 -8 3 7 92.29 5.00 8 3 -6 96.99 5.30 -8 3 6 94.89 5.10 8 3 -5 84.59 4.90 -8 3 5 83.29 4.70 8 3 -4 28.70 2.80 8 3 -4 29.80 2.90 -8 3 4 31.20 2.90 -8 3 3 173.88 6.80 -8 3 2 152.88 6.30 -8 3 1 7.60 1.40 8 3 0 240.18 7.80 -8 3 0 246.58 7.90 8 3 1 277.07 8.40 -8 3 -1 283.37 8.30 8 3 2 4.60 1.10 -8 3 -2 5.90 1.20 8 3 3 39.30 3.00 -8 3 -3 39.00 2.80 8 3 4 6.00 1.20 -8 3 -4 6.20 1.10 8 3 5 28.50 2.40 -8 3 -5 27.80 2.10 8 3 6 18.50 1.80 -8 3 -6 14.30 1.40 8 3 7 65.09 3.00 8 4 -12 59.39 2.60 8 4 -11 84.29 3.60 8 4 -10 11.90 1.50 8 4 -9 27.10 2.40 8 4 -8 21.20 2.20 -8 4 8 19.80 2.20 8 4 -7 82.99 4.60 -8 4 7 70.59 4.40 8 4 -6 50.89 3.60 -8 4 6 46.80 3.60 8 4 -5 75.49 4.40 -8 4 5 80.89 4.70 8 4 -4 86.09 4.70 -8 4 4 91.49 4.90 8 4 -3 20.40 2.40 -8 4 3 21.50 2.40 8 4 -2 79.29 4.80 -8 4 2 90.49 4.80 -8 4 1 28.40 2.70 -8 4 0 82.99 4.40 8 4 1 10.20 1.50 -8 4 -1 11.50 1.70 8 4 2 83.39 4.30 -8 4 -2 85.99 4.30 8 4 3 82.29 4.10 -8 4 -3 71.69 3.70 8 4 4 75.59 3.80 -8 4 -4 70.39 3.50 8 4 5 0.70 0.40 8 4 6 203.68 6.00 8 4 6 210.88 5.70 8 4 7 81.29 3.10 8 5 -11 3.10 0.60 8 5 -10 10.40 1.20 8 5 -9 98.99 4.10 8 5 -8 24.70 2.20 8 5 -7 41.90 2.90 -8 5 7 37.60 3.00 8 5 -6 9.90 1.50 -8 5 6 9.20 1.60 8 5 -5 155.88 5.80 -8 5 5 150.18 6.30 8 5 -4 227.58 7.20 -8 5 4 239.98 8.00 8 5 -3 13.90 1.80 -8 5 3 15.30 2.00 8 5 -2 95.39 4.90 -8 5 2 98.59 5.00 8 5 -1 5.00 1.20 -8 5 1 5.30 1.20 8 5 0 40.40 3.20 -8 5 0 38.60 3.00 8 5 1 43.10 3.30 -8 5 -1 41.50 3.00 8 5 2 30.60 2.70 -8 5 -2 31.20 2.50 8 5 3 0.70 0.50 8 5 3 2.00 0.70 -8 5 -3 1.20 0.50 8 5 4 1.60 0.70 8 5 4 1.50 0.60 8 5 5 34.70 2.30 8 5 5 35.40 2.20 8 5 6 34.90 2.00 8 6 -9 100.49 3.50 8 6 -8 81.39 3.30 8 6 -7 49.40 2.70 -8 6 6 17.10 2.00 8 6 -6 18.00 1.60 -8 6 5 158.28 6.10 8 6 -5 151.78 4.90 8 6 -4 121.99 4.60 -8 6 4 122.19 5.40 8 6 -3 7.30 1.20 -8 6 3 8.10 1.40 8 6 -2 132.49 5.10 -8 6 2 132.09 5.50 8 6 -1 22.70 2.20 -8 6 1 23.60 2.30 8 6 0 6.20 1.20 -8 6 0 5.60 1.10 8 6 1 1.50 0.70 -8 6 -1 2.00 0.70 8 6 2 25.60 2.10 -8 6 -2 18.70 1.70 8 6 3 62.39 3.20 8 6 4 24.90 1.80 8 7 -4 115.59 3.70 8 7 -3 0.80 0.40 -8 7 3 1.20 0.60 8 7 -2 60.59 2.90 -8 7 2 58.59 3.30 8 7 -1 11.50 1.30 -8 7 1 10.00 1.30 8 7 0 18.60 1.60 -8 7 0 13.90 1.50 8 7 1 36.80 2.20 8 7 2 92.69 3.40 8 7 3 217.78 5.00 -9 -6 5 33.80 1.50 -9 -6 4 81.49 2.50 -9 -6 4 73.09 2.40 -9 -6 3 70.89 2.40 -9 -6 2 61.19 2.20 -9 -6 1 37.30 1.60 -9 -5 7 62.69 2.30 -9 -5 7 62.69 2.20 -9 -5 6 51.49 2.10 -9 -5 6 53.39 2.20 -9 -5 5 30.30 1.70 -9 -5 5 27.20 1.60 -9 -5 4 151.98 3.90 -9 -5 4 135.99 3.80 -9 -5 3 15.80 1.20 -9 -5 2 178.58 4.30 -9 -5 2 167.58 4.20 -9 -5 1 42.00 1.90 -9 -5 1 38.90 1.90 -9 -5 0 28.40 1.70 -9 -5 0 27.70 1.50 -9 -5 0 25.50 1.50 -9 -5 -1 4.60 0.70 -9 -5 -1 3.50 0.50 -9 -5 -1 3.80 0.60 -9 -5 -2 95.19 3.00 -9 -4 9 249.97 4.80 -9 -4 8 4.10 0.60 -9 -4 8 4.30 0.60 -9 -4 7 60.49 2.40 -9 -4 7 59.89 2.40 -9 -4 6 26.50 1.70 -9 -4 6 24.70 1.60 -9 -4 5 19.70 1.50 -9 -4 5 17.80 1.40 -9 -4 4 48.10 2.30 -9 -4 3 54.09 2.50 -9 -4 2 24.10 1.60 -9 -4 2 24.30 1.60 -9 -4 1 7.70 1.00 -9 -4 1 8.50 1.00 -9 -4 1 6.40 0.90 -9 -4 0 75.49 3.10 -9 -4 0 66.19 2.50 -9 -4 -1 91.09 2.80 -9 -4 -1 104.39 3.60 -9 -4 -2 32.80 1.90 -9 -4 -2 30.60 1.90 -9 -4 -3 59.79 2.40 -9 -4 -3 60.89 2.60 -9 -3 10 22.80 1.30 -9 -3 9 77.69 2.70 -9 -3 9 71.09 2.40 -9 -3 8 169.68 4.30 -9 -3 8 161.48 4.10 -9 -3 7 286.47 6.00 -9 -3 7 269.67 5.70 -9 -3 6 19.50 1.50 -9 -3 6 19.50 1.50 -9 -3 5 5.00 0.80 -9 -3 5 4.90 0.80 -9 -3 4 21.70 1.60 -9 -3 4 21.40 1.60 -9 -3 3 67.49 2.90 -9 -3 2 230.08 5.50 -9 -3 1 27.10 2.00 -9 -3 1 23.50 1.60 -9 -3 1 25.60 2.00 -9 -3 1 20.70 1.50 -9 -3 0 42.90 2.40 -9 -3 0 37.20 1.90 -9 -3 0 41.00 2.50 -9 -3 -1 79.39 3.20 -9 -3 -1 75.59 3.30 -9 -3 -2 43.30 2.30 -9 -3 -2 41.90 2.40 -9 -3 -3 37.40 2.00 -9 -3 -3 39.90 2.30 -9 -3 -4 79.89 3.00 -9 -2 10 36.80 1.80 -9 -2 9 65.09 2.60 -9 -2 9 52.99 2.10 -9 -2 8 52.89 2.40 -9 -2 8 45.90 2.10 -9 -2 7 93.29 3.40 -9 -2 7 80.89 3.00 -9 -2 6 52.19 2.60 -9 -2 6 45.80 2.30 -9 -2 5 7.30 1.00 -9 -2 5 5.90 0.80 -9 -2 4 67.79 3.00 -9 -2 3 284.27 6.30 -9 -2 3 257.27 6.90 -9 -2 2 75.29 3.60 -9 -2 1 29.00 2.20 -9 -2 0 34.50 2.20 -9 -2 0 34.90 2.40 -9 -2 -1 6.80 1.00 -9 -2 -1 7.60 1.20 -9 -2 -2 84.99 3.20 -9 -2 -2 95.09 3.80 -9 -2 -3 12.10 1.10 -9 -2 -3 15.30 1.50 -9 -2 -4 106.89 3.70 -9 -2 -5 115.19 3.60 9 -1 -11 6.00 1.00 -9 -1 10 5.30 0.70 -9 -1 9 8.30 1.00 -9 -1 8 44.40 2.30 -9 -1 7 115.79 3.90 -9 -1 6 94.09 3.50 -9 -1 5 57.99 2.80 -9 -1 4 82.09 3.30 -9 -1 4 79.09 3.80 -9 -1 3 78.59 3.10 -9 -1 3 83.99 4.00 -9 -1 2 14.00 1.60 -9 -1 1 13.30 1.60 -9 -1 0 70.29 3.60 -9 -1 -1 56.29 3.10 -9 -1 -2 37.50 2.50 -9 -1 -3 155.58 4.90 -9 -1 -4 39.00 2.30 -9 -1 -5 99.49 3.40 9 0 -11 21.40 1.80 9 0 -10 22.10 2.00 9 0 -9 31.00 2.60 -9 0 9 30.80 1.80 -9 0 8 24.30 1.70 -9 0 7 0.60 0.40 -9 0 6 380.16 7.60 -9 0 5 5.20 0.80 -9 0 5 4.20 0.90 -9 0 4 21.00 2.00 -9 0 3 18.50 1.90 -9 0 2 60.29 3.50 -9 0 1 30.80 2.40 -9 0 0 30.70 2.40 -9 0 -1 54.19 3.10 -9 0 -2 1.40 0.70 -9 0 -3 128.79 4.50 -9 0 -4 75.79 3.20 -9 0 -5 6.90 0.90 9 1 -11 6.60 1.00 9 1 -10 6.90 1.10 9 1 -9 7.10 1.30 9 1 -8 41.50 3.00 -9 1 8 38.00 2.00 9 1 -7 116.29 5.20 -9 1 7 102.19 3.50 9 1 -6 93.49 4.60 -9 1 6 82.49 4.10 -9 1 5 53.99 3.30 -9 1 4 84.59 4.20 -9 1 3 92.59 4.40 -9 1 2 13.40 1.70 -9 1 1 15.30 1.80 -9 1 0 72.69 3.70 -9 1 -1 51.29 3.00 -9 1 -2 38.30 2.50 -9 1 -3 160.58 5.10 -9 1 -4 39.00 2.30 -9 1 -5 96.69 3.30 9 2 -10 41.90 2.50 9 2 -9 64.19 3.30 9 2 -8 54.79 3.20 9 2 -7 89.29 4.30 -9 2 7 76.49 3.80 9 2 -6 49.40 3.20 -9 2 6 48.70 3.10 -9 2 5 8.20 1.30 -9 2 4 64.89 3.70 -9 2 3 291.47 8.10 -9 2 2 84.39 4.20 -9 2 1 27.80 2.30 -9 2 0 33.10 2.50 -9 2 -1 6.90 1.20 -9 2 -2 89.09 3.80 -9 2 -3 15.30 1.50 -9 2 -4 102.79 3.70 9 3 -10 25.20 1.70 9 3 -9 81.69 3.40 9 3 -8 174.68 5.40 9 3 -7 273.17 7.10 -9 3 7 256.97 7.20 9 3 -6 17.00 1.70 -9 3 6 20.00 2.00 -9 3 5 5.20 1.10 -9 3 4 22.10 2.20 9 3 -3 68.99 3.80 -9 3 3 74.69 3.90 9 3 -2 244.48 7.50 -9 3 2 264.37 7.50 -9 3 1 25.40 2.20 -9 3 0 41.20 2.70 -9 3 -1 79.69 3.70 -9 3 -2 39.10 2.40 -9 3 -3 37.30 2.30 -9 3 -4 64.99 2.70 9 4 -8 3.30 0.70 9 4 -7 50.69 2.60 -9 4 7 58.29 3.20 -9 4 6 26.30 2.20 -9 4 5 17.70 1.90 -9 4 4 51.49 3.20 9 4 -3 52.49 3.00 -9 4 3 52.09 3.20 9 4 -2 21.20 2.00 -9 4 2 21.60 2.00 9 4 -1 6.70 1.20 -9 4 1 6.30 1.10 9 4 0 69.09 3.60 -9 4 0 66.19 3.40 9 4 1 110.29 4.50 -9 4 -1 106.69 4.10 9 4 2 28.80 2.20 -9 4 -2 29.80 2.00 9 4 3 58.79 2.90 -9 4 -3 48.30 2.40 9 4 4 17.00 1.40 -9 5 5 30.20 2.30 -9 5 4 139.69 5.00 9 5 -3 14.80 1.40 -9 5 3 18.50 1.80 9 5 -2 169.18 5.00 -9 5 2 172.58 5.50 9 5 -1 42.30 2.50 -9 5 1 38.70 2.50 9 5 0 28.70 2.00 -9 5 0 27.20 2.00 9 5 1 4.70 0.80 -9 5 -1 4.70 0.80 9 5 2 93.39 3.40 -9 6 3 72.79 3.20 -9 6 2 66.59 3.00 -10 -1 2 59.89 2.60 -10 -1 1 24.50 1.60 -10 -1 0 92.59 3.20 -10 0 3 39.20 2.20 -10 0 2 6.50 0.90 -10 0 1 47.10 2.40 -10 0 0 2.60 0.60 -10 0 -1 23.30 1.60 -10 1 4 2.30 0.60 -10 1 3 46.50 2.50 -10 1 2 78.99 3.20 -10 1 1 26.20 1.80 -10 1 0 96.09 3.40 -10 1 -1 21.30 1.50 -10 2 4 61.59 2.80 -10 2 3 41.20 2.30 -10 2 2 112.69 3.90 -10 2 1 94.49 3.40 -10 2 0 65.89 2.70 -10 3 3 107.19 3.70 -10 3 2 69.89 2.90 -10 3 1 10.00 1.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 82946 _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 - Detector area scaling ; _oxdiff_exptl_absorpt_empirical_full_max 2.271 _oxdiff_exptl_absorpt_empirical_full_min 0.561 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' 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 C1 C 0.2690(3) 0.5271(2) 0.98607(15) 0.0187(5) Uani 1 1 d . . . . . C2 C 0.2323(3) 0.5049(3) 1.08188(16) 0.0238(5) Uani 1 1 d . . . . . H2 H 0.204367 0.575840 1.116229 0.029 Uiso 1 1 calc R . . . . C3 C 0.2375(3) 0.3876(3) 1.12095(16) 0.0246(5) Uani 1 1 d . . . . . H3 H 0.226801 0.381869 1.184391 0.030 Uiso 1 1 calc R . . . . C4 C 0.2596(3) 0.2638(3) 1.06942(15) 0.0214(5) Uani 1 1 d . . . . . H4 H 0.373851 0.236965 1.086496 0.026 Uiso 1 1 calc R . . . . C5 C 0.2240(3) 0.2878(2) 0.96205(14) 0.0172(4) Uani 1 1 d . . . . . H5 H 0.107840 0.309001 0.945590 0.021 Uiso 1 1 calc R . . . . C6 C 0.2526(3) 0.1646(2) 0.90706(15) 0.0197(5) Uani 1 1 d . . . . . H6A H 0.365354 0.137869 0.925129 0.024 Uiso 1 1 calc R . . . . H6B H 0.184481 0.095197 0.924784 0.024 Uiso 1 1 calc R . . . . C7 C 0.2158(3) 0.1822(2) 0.80031(15) 0.0180(4) Uani 1 1 d . . . . . H7 H 0.251919 0.103907 0.770634 0.022 Uiso 1 1 calc R . . . . C8 C 0.3021(3) 0.3003(2) 0.76603(15) 0.0157(4) Uani 1 1 d . . . . . C9 C 0.2740(2) 0.4249(2) 0.82361(15) 0.0151(4) Uani 1 1 d . . . . . H9 H 0.155356 0.436521 0.812367 0.018 Uiso 1 1 calc R . . . . C10 C 0.3202(3) 0.4073(2) 0.93314(15) 0.0171(5) Uani 1 1 d . . . . . C11 C 0.3401(3) 0.5485(2) 0.77958(15) 0.0162(4) Uani 1 1 d . . . . . H11 H 0.423941 0.589350 0.826786 0.019 Uiso 1 1 calc R . . . . C12 C 0.4079(3) 0.5283(2) 0.68782(15) 0.0177(4) Uani 1 1 d . . . . . H12A H 0.517055 0.492604 0.703875 0.021 Uiso 1 1 calc R . . . . H12B H 0.417330 0.612810 0.658876 0.021 Uiso 1 1 calc R . . . . C13 C 0.3067(3) 0.4376(2) 0.61311(15) 0.0170(4) Uani 1 1 d . . . . . C14 C 0.2262(3) 0.3319(2) 0.66479(15) 0.0169(4) Uani 1 1 d . . . . . C15 C 0.0815(3) 0.2808(3) 0.62833(15) 0.0200(5) Uani 1 1 d . . . . . H15 H 0.046658 0.285387 0.563224 0.024 Uiso 1 1 calc R . . . . C16 C -0.0245(3) 0.2176(2) 0.68683(15) 0.0193(5) Uani 1 1 d . . . . . C17 C 0.4282(3) 0.3761(2) 0.55474(15) 0.0178(4) Uani 1 1 d . . . . . H17 H 0.518021 0.336917 0.598888 0.021 Uiso 1 1 calc R . . . . C18 C 0.1754(3) 0.5158(2) 0.54800(15) 0.0202(5) Uani 1 1 d . . . . . H18A H 0.128326 0.462512 0.495360 0.030 Uiso 1 1 calc GR . . . . H18B H 0.223967 0.591703 0.525115 0.030 Uiso 1 1 calc GR . . . . H18C H 0.091947 0.542076 0.582860 0.030 Uiso 1 1 calc GR . . . . C19 C 0.5058(3) 0.3954(2) 0.96841(15) 0.0200(5) Uani 1 1 d . . . . . H19A H 0.562035 0.460540 0.938149 0.030 Uiso 1 1 calc GR . . . . H19B H 0.542186 0.310444 0.953208 0.030 Uiso 1 1 calc GR . . . . H19C H 0.528452 0.407903 1.035769 0.030 Uiso 1 1 calc GR . . . . C20 C 0.5015(3) 0.4712(2) 0.48885(16) 0.0198(5) Uani 1 1 d . . . . . H20 H 0.474998 0.561514 0.502467 0.024 Uiso 1 1 calc R . . . . C21 C 0.6861(3) 0.4535(3) 0.49968(18) 0.0243(5) Uani 1 1 d . . . . . H21 H 0.761651 0.519681 0.517037 0.029 Uiso 0.772(6) 1 calc R . P A 1 C22 C 0.4162(3) 0.4320(2) 0.38943(15) 0.0209(5) Uani 1 1 d . . . . . H22A H 0.332133 0.494480 0.365042 0.025 Uiso 1 1 calc R . . . . H22B H 0.493942 0.427056 0.346129 0.025 Uiso 1 1 calc R . . . . C23 C 0.3431(3) 0.3004(2) 0.40142(15) 0.0194(5) Uani 1 1 d . . . . . C29 C 0.1528(3) 0.1565(3) 1.10187(17) 0.0265(5) Uani 1 1 d . . . . . H29A H 0.039946 0.178921 1.083318 0.040 Uiso 1 1 calc GR . . . . H29B H 0.177500 0.148142 1.169524 0.040 Uiso 1 1 calc GR . . . . H29C H 0.174225 0.075231 1.073056 0.040 Uiso 1 1 calc GR . . . . C30 C 0.4808(3) 0.2523(2) 0.77056(16) 0.0195(5) Uani 1 1 d . . . . . H30A H 0.488499 0.201764 0.715086 0.029 Uiso 1 1 calc GR . . . . H30B H 0.511597 0.199371 0.825966 0.029 Uiso 1 1 calc GR . . . . H30C H 0.552351 0.326069 0.773431 0.029 Uiso 1 1 calc GR . . . . C31 C 0.2365(3) 0.7646(2) 0.75867(15) 0.0177(4) Uani 1 1 d . . . . . C32 C 0.0859(3) 0.8443(3) 0.7281(2) 0.0279(6) Uani 1 1 d . . . . . H32A H 0.096337 0.891937 0.671790 0.042 Uiso 1 1 calc GR . . . . H32B H 0.072025 0.904296 0.777583 0.042 Uiso 1 1 calc GR . . . . H32C H -0.007185 0.787781 0.715458 0.042 Uiso 1 1 calc GR . . . . O1 O 0.2722(2) 0.63748(18) 0.95497(11) 0.0237(4) Uani 1 1 d . . . . . O2 O 0.20158(18) 0.63715(16) 0.75744(10) 0.0167(3) Uani 1 1 d . . . . . O3 O 0.37171(19) 0.80994(17) 0.77958(11) 0.0221(4) Uani 1 1 d . . . . . O4 O 0.7567(10) 0.5204(9) 0.4347(6) 0.030(2) Uani 0.228(6) 1 d . . P A 2 H4A H 0.745179 0.598892 0.441990 0.045 Uiso 0.228(6) 1 calc GR . P A 2 O5 O 0.7266(3) 0.3271(2) 0.48046(15) 0.0237(6) Uani 0.772(6) 1 d . . P A 1 H5A H 0.750695 0.286705 0.530261 0.036 Uiso 0.772(6) 1 calc GR . P A 1 O6 O 0.2848(2) 0.22371(19) 0.34229(12) 0.0263(4) Uani 1 1 d . . . . . O7 O 0.3477(2) 0.27433(17) 0.49479(11) 0.0201(3) Uani 1 1 d . . . . . O8 O 0.03819(19) 0.18959(17) 0.77674(10) 0.0190(3) Uani 1 1 d . . . . . O9 O -0.17021(19) 0.20056(19) 0.65940(11) 0.0247(4) 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 C1 0.0139(9) 0.0241(13) 0.0166(10) -0.0016(9) -0.0018(7) -0.0025(8) C2 0.0236(11) 0.0305(15) 0.0171(10) -0.0063(9) 0.0031(8) -0.0044(10) C3 0.0240(11) 0.0358(15) 0.0134(10) -0.0015(10) 0.0015(8) -0.0078(10) C4 0.0196(10) 0.0295(14) 0.0138(10) 0.0029(9) -0.0008(8) -0.0034(9) C5 0.0165(9) 0.0208(12) 0.0133(10) 0.0015(8) -0.0005(7) -0.0021(8) C6 0.0243(11) 0.0182(12) 0.0161(10) 0.0036(8) 0.0020(8) -0.0010(9) C7 0.0212(11) 0.0164(12) 0.0161(10) -0.0015(8) 0.0021(8) -0.0012(9) C8 0.0164(10) 0.0155(11) 0.0150(9) -0.0001(8) 0.0016(8) -0.0007(8) C9 0.0141(9) 0.0158(11) 0.0145(10) 0.0002(8) 0.0001(7) -0.0006(8) C10 0.0164(10) 0.0190(12) 0.0149(10) -0.0001(8) 0.0000(8) -0.0019(8) C11 0.0159(9) 0.0164(12) 0.0152(10) -0.0007(8) -0.0003(7) 0.0008(8) C12 0.0181(10) 0.0169(12) 0.0183(10) 0.0002(8) 0.0033(8) -0.0016(8) C13 0.0185(10) 0.0178(12) 0.0145(9) 0.0010(8) 0.0021(8) 0.0000(8) C14 0.0204(10) 0.0171(12) 0.0134(10) -0.0027(8) 0.0036(8) 0.0015(8) C15 0.0223(11) 0.0248(13) 0.0122(9) 0.0000(8) 0.0014(8) -0.0040(9) C16 0.0242(11) 0.0189(12) 0.0141(10) -0.0037(8) 0.0013(8) -0.0052(9) C17 0.0214(10) 0.0174(12) 0.0144(10) -0.0003(8) 0.0020(8) -0.0008(8) C18 0.0213(10) 0.0218(13) 0.0173(10) 0.0030(9) 0.0024(8) 0.0017(9) C19 0.0176(10) 0.0249(13) 0.0164(10) 0.0003(9) -0.0005(8) -0.0022(9) C20 0.0232(11) 0.0180(12) 0.0193(10) 0.0016(9) 0.0066(8) 0.0012(9) C21 0.0220(11) 0.0224(13) 0.0295(12) 0.0000(10) 0.0073(9) -0.0017(9) C22 0.0255(11) 0.0219(13) 0.0163(10) 0.0059(9) 0.0061(8) 0.0063(9) C23 0.0185(10) 0.0232(13) 0.0165(10) 0.0005(9) 0.0036(8) 0.0071(9) C29 0.0311(12) 0.0310(15) 0.0171(10) 0.0024(9) 0.0035(9) -0.0057(10) C30 0.0213(11) 0.0186(12) 0.0184(10) 0.0027(8) 0.0032(8) 0.0030(9) C31 0.0217(10) 0.0163(12) 0.0158(10) 0.0000(8) 0.0047(8) -0.0002(8) C32 0.0217(11) 0.0188(14) 0.0428(14) 0.0062(10) 0.0045(10) 0.0017(9) O1 0.0292(9) 0.0206(9) 0.0216(8) -0.0024(7) 0.0044(6) -0.0014(7) O2 0.0163(7) 0.0152(8) 0.0180(7) 0.0002(6) 0.0011(5) 0.0000(6) O3 0.0214(8) 0.0190(9) 0.0243(8) 0.0002(7) -0.0004(6) -0.0047(6) O4 0.034(4) 0.021(5) 0.034(4) -0.002(3) 0.005(3) 0.001(3) O5 0.0247(11) 0.0239(13) 0.0225(11) 0.0002(9) 0.0040(8) 0.0056(9) O6 0.0259(8) 0.0305(11) 0.0210(8) -0.0061(7) -0.0002(6) 0.0039(7) O7 0.0278(8) 0.0166(9) 0.0161(7) -0.0003(6) 0.0040(6) -0.0016(6) O8 0.0209(7) 0.0220(9) 0.0139(7) 0.0000(6) 0.0018(6) -0.0060(6) O9 0.0200(8) 0.0330(11) 0.0201(8) -0.0022(7) 0.0010(6) -0.0088(7) 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_ _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 C1 C10 116.9(2) . . ? O1 C1 C2 120.4(2) . . ? O1 C1 C10 122.4(2) . . ? C1 C2 H2 118.8 . . ? C3 C2 C1 122.5(2) . . ? C3 C2 H2 118.8 . . ? C2 C3 H3 117.9 . . ? C2 C3 C4 124.1(2) . . ? C4 C3 H3 117.9 . . ? C3 C4 H4 108.1 . . ? C3 C4 C5 109.8(2) . . ? C3 C4 C29 109.50(19) . . ? C5 C4 H4 108.1 . . ? C29 C4 H4 108.1 . . ? C29 C4 C5 113.26(19) . . ? C4 C5 H5 107.0 . . ? C4 C5 C10 111.83(18) . . ? C6 C5 C4 111.2(2) . . ? C6 C5 H5 107.0 . . ? C6 C5 C10 112.48(17) . . ? C10 C5 H5 107.0 . . ? C5 C6 H6A 108.9 . . ? C5 C6 H6B 108.9 . . ? H6A C6 H6B 107.7 . . ? C7 C6 C5 113.42(19) . . ? C7 C6 H6A 108.9 . . ? C7 C6 H6B 108.9 . . ? C6 C7 H7 108.3 . . ? C6 C7 C8 113.06(18) . . ? C8 C7 H7 108.3 . . ? O8 C7 C6 105.24(17) . . ? O8 C7 H7 108.3 . . ? O8 C7 C8 113.33(18) . . ? C7 C8 C9 110.99(17) . . ? C7 C8 C30 103.46(18) . . ? C14 C8 C7 109.49(17) . . ? C14 C8 C9 104.77(17) . . ? C14 C8 C30 110.38(17) . . ? C30 C8 C9 117.70(18) . . ? C8 C9 H9 104.4 . . ? C8 C9 C10 113.75(18) . . ? C10 C9 H9 104.4 . . ? C11 C9 C8 110.99(17) . . ? C11 C9 H9 104.4 . . ? C11 C9 C10 117.19(17) . . ? C1 C10 C5 107.43(18) . . ? C1 C10 C9 111.13(18) . . ? C1 C10 C19 104.25(17) . . ? C5 C10 C9 107.91(17) . . ? C19 C10 C5 112.36(18) . . ? C19 C10 C9 113.60(17) . . ? C9 C11 H11 109.1 . . ? C12 C11 C9 116.38(19) . . ? C12 C11 H11 109.1 . . ? O2 C11 C9 105.97(17) . . ? O2 C11 H11 109.1 . . ? O2 C11 C12 106.87(17) . . ? C11 C12 H12A 108.3 . . ? C11 C12 H12B 108.3 . . ? C11 C12 C13 115.92(18) . . ? H12A C12 H12B 107.4 . . ? C13 C12 H12A 108.3 . . ? C13 C12 H12B 108.3 . . ? C14 C13 C12 108.78(17) . . ? C14 C13 C17 110.51(19) . . ? C14 C13 C18 109.81(18) . . ? C17 C13 C12 106.76(17) . . ? C18 C13 C12 110.65(19) . . ? C18 C13 C17 110.28(17) . . ? C8 C14 C13 117.94(18) . . ? C15 C14 C8 119.5(2) . . ? C15 C14 C13 121.9(2) . . ? C14 C15 H15 118.7 . . ? C14 C15 C16 122.6(2) . . ? C16 C15 H15 118.7 . . ? O8 C16 C15 118.12(19) . . ? O9 C16 C15 122.6(2) . . ? O9 C16 O8 118.9(2) . . ? C13 C17 H17 108.3 . . ? C13 C17 C20 115.5(2) . . ? C20 C17 H17 108.3 . . ? O7 C17 C13 109.66(18) . . ? O7 C17 H17 108.3 . . ? O7 C17 C20 106.47(17) . . ? C13 C18 H18A 109.5 . . ? C13 C18 H18B 109.5 . . ? C13 C18 H18C 109.5 . . ? H18A C18 H18B 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C10 C19 H19A 109.5 . . ? C10 C19 H19B 109.5 . . ? C10 C19 H19C 109.5 . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C17 C20 H20 110.4 . . ? C21 C20 C17 110.82(19) . . ? C21 C20 H20 110.4 . . ? C21 C20 C22 111.26(19) . . ? C22 C20 C17 103.40(19) . . ? C22 C20 H20 110.4 . . ? C20 C21 H21 124.3 . . ? O4 C21 C20 114.3(4) . . ? O5 C21 C20 111.5(2) . . ? O5 C21 H21 124.3 . . ? C20 C22 H22A 110.7 . . ? C20 C22 H22B 110.7 . . ? H22A C22 H22B 108.8 . . ? C23 C22 C20 105.22(18) . . ? C23 C22 H22A 110.7 . . ? C23 C22 H22B 110.7 . . ? O6 C23 C22 129.3(2) . . ? O6 C23 O7 120.5(2) . . ? O7 C23 C22 110.19(19) . . ? C4 C29 H29A 109.5 . . ? C4 C29 H29B 109.5 . . ? C4 C29 H29C 109.5 . . ? H29A C29 H29B 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C8 C30 H30A 109.5 . . ? C8 C30 H30B 109.5 . . ? C8 C30 H30C 109.5 . . ? H30A C30 H30B 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? O2 C31 C32 111.14(19) . . ? O3 C31 C32 124.1(2) . . ? O3 C31 O2 124.8(2) . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 O2 C11 116.35(17) . . ? C21 O4 H4A 109.5 . . ? C21 O5 H5A 109.5 . . ? C23 O7 C17 112.13(18) . . ? C16 O8 C7 116.65(16) . . ? 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 C1 C2 1.473(3) . ? C1 C10 1.542(3) . ? C1 O1 1.219(3) . ? C2 H2 0.9300 . ? C2 C3 1.325(4) . ? C3 H3 0.9300 . ? C3 C4 1.496(4) . ? C4 H4 0.9800 . ? C4 C5 1.537(3) . ? C4 C29 1.536(3) . ? C5 H5 0.9800 . ? C5 C6 1.530(3) . ? C5 C10 1.558(3) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C6 C7 1.519(3) . ? C7 H7 0.9800 . ? C7 C8 1.531(3) . ? C7 O8 1.461(3) . ? C8 C9 1.561(3) . ? C8 C14 1.516(3) . ? C8 C30 1.557(3) . ? C9 H9 0.9800 . ? C9 C10 1.562(3) . ? C9 C11 1.558(3) . ? C10 C19 1.547(3) . ? C11 H11 0.9800 . ? C11 C12 1.530(3) . ? C11 O2 1.460(3) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C12 C13 1.554(3) . ? C13 C14 1.531(3) . ? C13 C17 1.551(3) . ? C13 C18 1.537(3) . ? C14 C15 1.336(3) . ? C15 H15 0.9300 . ? C15 C16 1.466(3) . ? C16 O8 1.337(3) . ? C16 O9 1.223(3) . ? C17 H17 0.9800 . ? C17 C20 1.553(3) . ? C17 O7 1.443(3) . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20 0.9800 . ? C20 C21 1.528(3) . ? C20 C22 1.534(3) . ? C21 H21 0.9300 . ? C21 O4 1.366(9) . ? C21 O5 1.380(4) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C22 C23 1.502(4) . ? C23 O6 1.197(3) . ? C23 O7 1.358(3) . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.499(3) . ? C31 O2 1.339(3) . ? C31 O3 1.208(3) . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? O4 H4A 0.8200 . ? O5 H5A 0.8200 . ?