#------------------------------------------------------------------------------ #$Date: 2019-11-11 20:38:53 +0200 (Mon, 11 Nov 2019) $ #$Revision: 227290 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/03/58/4035882.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_4035882 loop_ _publ_author_name 'Ji, Kai-Long' 'Fan, Yao-Yue' 'Ge, Zhan-Peng' 'Sheng, Li' 'Xu, You-Kai' 'Gan, Li-She' 'Li, Jing-Ya' 'Yue, Jian-Min' _publ_section_title ; Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum. ; _journal_issue 1 _journal_name_full 'The Journal of organic chemistry' _journal_page_first 282 _journal_page_last 288 _journal_paper_doi 10.1021/acs.joc.8b02665 _journal_volume 84 _journal_year 2019 _chemical_absolute_configuration rmad _chemical_formula_moiety 'C20 H28 O3' _chemical_formula_sum 'C20 H28 O3' _chemical_formula_weight 316.42 _space_group_crystal_system monoclinic _space_group_IT_number 5 _space_group_name_Hall 'C 2y' _space_group_name_H-M_alt 'C 1 2 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _audit_creation_date 2017-12-22 _audit_creation_method ; Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337) ; _cell_angle_alpha 90 _cell_angle_beta 106.0100(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.2915(3) _cell_length_b 7.2927(2) _cell_length_c 17.9828(5) _cell_measurement_reflns_used 9248 _cell_measurement_temperature 170(2) _cell_measurement_theta_max 60.65 _cell_measurement_theta_min 6.08 _cell_volume 1675.48(8) _computing_cell_refinement 'SAINT v8.37A (Bruker, 2015)' _computing_data_reduction 'SAINT v8.37A (Bruker, 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 'ShelXS (Sheldrick, 2008)' _diffrn_ambient_temperature 170.0 _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.993 _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34139 _diffrn_reflns_av_R_equivalents 0.0318 _diffrn_reflns_av_unetI/netI 0.0299 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 11729 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.986 _diffrn_reflns_theta_full 53.594 _diffrn_reflns_theta_max 60.615 _diffrn_reflns_theta_min 6.079 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.419 _exptl_absorpt_correction_T_max 0.7519 _exptl_absorpt_correction_T_min 0.5974 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1040 before and 0.0579 after correction. The Ratio of minimum to maximum transmission is 0.7945. The \l/2 correction factor is Not present.' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.254 _exptl_crystal_description block _exptl_crystal_F_000 688 _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.206 _refine_diff_density_min -0.109 _refine_diff_density_rms 0.029 _refine_ls_abs_structure_details ; Flack x determined using 1595 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack -0.01(9) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.051 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 212 _refine_ls_number_reflns 3800 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.051 _refine_ls_R_factor_all 0.0334 _refine_ls_R_factor_gt 0.0315 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+0.5961P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0778 _refine_ls_wR_factor_ref 0.0794 _reflns_Friedel_coverage 0.840 _reflns_Friedel_fraction_full 0.988 _reflns_Friedel_fraction_max 0.977 _reflns_number_gt 3653 _reflns_number_total 3800 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file jo8b02665_si_002.cif _cod_data_source_block mjl17144_0m _cod_database_code 4035882 _shelx_shelxl_version_number 2017/1 _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 0.979 _shelx_estimated_absorpt_t_min 0.959 _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.a Ternary CH refined with riding coordinates: C5(H5), C9(H9) 2.b Secondary CH2 refined with riding coordinates: C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C6(H6A,H6B), C7(H7A,H7B), C11(H11A, H11B), C17(H17A,H17B) 2.c Aromatic/amide H refined with riding coordinates: C14(H14), C15(H15) 2.d Idealised Me refined as rotating group: C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C) 2.e Idealised tetrahedral OH refined as rotating group: O1(H1) ; _shelx_res_file ; TITL mjl17144_0m_a.res in C2 mjl17144_0m.res created by SHELXL-2017/1 at 10:15:28 on 22-Dec-2017 REM Old TITL mjl17144_0m in C2 REM SHELXT solution in C2 REM R1 0.095, Rweak 0.022, Alpha 0.003, Orientation as input REM Flack x = 0.082 ( 0.073 ) from Parsons' quotients REM Formula found by SHELXT: C20 O3 CELL 1.34139 13.2915 7.2927 17.9828 90 106.01 90 ZERR 4 0.0003 0.0002 0.0005 0 0.001 0 LATT -7 SYMM -X,+Y,-Z SFAC C H O DISP C 0.015 0.007 57.748 DISP H -0 0 0.648 DISP O 0.041 0.025 193.954 UNIT 80 112 12 EQIV $1 0.5+X,0.5+Y,+Z L.S. 4 PLAN 20 SIZE 0.05 0.08 0.1 TEMP -103.15 HTAB O1 O3_$1 BOND $H list 4 fmap 2 ACTA REM REM REM WGHT 0.032400 0.596100 FVAR 0.80628 O1 3 0.850395 0.888266 0.326352 11.00000 0.02585 0.02068 = 0.03942 -0.00286 0.00872 -0.00102 AFIX 147 H1 2 0.908942 0.939889 0.341965 11.00000 -1.50000 AFIX 0 O2 3 0.832821 0.559864 0.501941 11.00000 0.02901 0.03046 = 0.02386 0.00285 0.00522 0.00068 O3 3 0.525399 0.622238 0.386485 11.00000 0.02240 0.03832 = 0.03966 -0.00183 0.01179 -0.00334 C1 1 0.649084 0.440135 0.151699 11.00000 0.01910 0.03321 = 0.03087 -0.00178 0.00324 0.00266 AFIX 23 H1A 2 0.592056 0.423842 0.176756 11.00000 -1.20000 H1B 2 0.636675 0.557378 0.122855 11.00000 -1.20000 AFIX 0 C2 1 0.644531 0.283581 0.094566 11.00000 0.02634 0.03817 = 0.03197 -0.00744 -0.00047 -0.00025 AFIX 23 H2A 2 0.649628 0.164931 0.122108 11.00000 -1.20000 H2B 2 0.576534 0.286871 0.054336 11.00000 -1.20000 AFIX 0 C3 1 0.732789 0.298207 0.056519 11.00000 0.03495 0.03393 = 0.02719 -0.00417 0.00403 0.00511 AFIX 23 H3A 2 0.722822 0.411088 0.024737 11.00000 -1.20000 H3B 2 0.728780 0.192450 0.021303 11.00000 -1.20000 AFIX 0 C4 1 0.842463 0.302814 0.114202 11.00000 0.02901 0.02751 = 0.02830 -0.00063 0.00952 0.00536 C5 1 0.843765 0.457101 0.174131 11.00000 0.02062 0.02248 = 0.02752 0.00485 0.00864 0.00471 AFIX 13 H5 2 0.830611 0.572220 0.142718 11.00000 -1.20000 AFIX 0 C6 1 0.950080 0.488672 0.233149 11.00000 0.01939 0.02701 = 0.03089 0.00296 0.00924 0.00348 AFIX 23 H6A 2 0.963192 0.390434 0.272657 11.00000 -1.20000 H6B 2 1.006200 0.483501 0.206685 11.00000 -1.20000 AFIX 0 C7 1 0.952406 0.674809 0.272417 11.00000 0.01894 0.02743 = 0.03225 0.00197 0.00817 -0.00215 AFIX 23 H7A 2 1.020815 0.690058 0.311472 11.00000 -1.20000 H7B 2 0.946016 0.772727 0.233255 11.00000 -1.20000 AFIX 0 C8 1 0.865233 0.697348 0.311779 11.00000 0.01862 0.02060 = 0.02849 0.00074 0.00619 0.00124 C9 1 0.758068 0.640143 0.257356 11.00000 0.01714 0.02287 = 0.02194 0.00307 0.00473 0.00285 AFIX 13 H9 2 0.742358 0.733899 0.215139 11.00000 -1.20000 AFIX 0 C10 1 0.754600 0.452157 0.215122 11.00000 0.01569 0.02194 = 0.02528 0.00196 0.00438 0.00171 C11 1 0.672350 0.665852 0.299047 11.00000 0.01814 0.03075 = 0.02421 0.00091 0.00547 0.00469 AFIX 23 H11A 2 0.649392 0.795479 0.293235 11.00000 -1.20000 H11B 2 0.611444 0.589539 0.272466 11.00000 -1.20000 AFIX 0 C12 1 0.702282 0.618687 0.383727 11.00000 0.02144 0.02031 = 0.02611 -0.00109 0.00724 -0.00050 C13 1 0.619708 0.606302 0.422281 11.00000 0.02544 0.02152 = 0.03203 -0.00209 0.01109 -0.00227 C14 1 0.655778 0.575164 0.504815 11.00000 0.03609 0.03266 = 0.03220 0.00204 0.01753 -0.00210 AFIX 43 H14 2 0.606658 0.569865 0.534404 11.00000 -1.20000 AFIX 0 C15 1 0.757381 0.553875 0.539605 11.00000 0.04025 0.02980 = 0.02464 0.00323 0.01152 -0.00130 AFIX 43 H15 2 0.778224 0.533328 0.593875 11.00000 -1.20000 AFIX 0 C16 1 0.803019 0.593358 0.424025 11.00000 0.02475 0.02086 = 0.02318 0.00066 0.00568 0.00004 C17 1 0.893230 0.598804 0.390327 11.00000 0.01766 0.02929 = 0.02528 0.00247 0.00275 0.00242 AFIX 23 H17A 2 0.915810 0.471957 0.383650 11.00000 -1.20000 H17B 2 0.952515 0.662934 0.426504 11.00000 -1.20000 AFIX 0 C18 1 0.921015 0.349994 0.068098 11.00000 0.03858 0.04424 = 0.03580 -0.00267 0.01873 0.00496 AFIX 137 H18A 2 0.912546 0.478765 0.051998 11.00000 -1.50000 H18B 2 0.907990 0.271303 0.022247 11.00000 -1.50000 H18C 2 0.992478 0.329926 0.100720 11.00000 -1.50000 AFIX 0 C19 1 0.871679 0.112612 0.150213 11.00000 0.03247 0.02787 = 0.03679 -0.00337 0.00778 0.00603 AFIX 137 H19A 2 0.934849 0.122292 0.193755 11.00000 -1.50000 H19B 2 0.884891 0.029222 0.111215 11.00000 -1.50000 H19C 2 0.813954 0.064869 0.168662 11.00000 -1.50000 AFIX 0 C20 1 0.760791 0.290388 0.271355 11.00000 0.02664 0.02168 = 0.03200 0.00351 0.00795 -0.00036 AFIX 137 H20A 2 0.736545 0.178229 0.241830 11.00000 -1.50000 H20B 2 0.716382 0.315935 0.305511 11.00000 -1.50000 H20C 2 0.833383 0.274134 0.302481 11.00000 -1.50000 AFIX 0 HKLF 4 REM mjl17144_0m_a.res in C2 REM R1 = 0.0315 for 3653 Fo > 4sig(Fo) and 0.0334 for all 3800 data REM 212 parameters refined using 1 restraints END WGHT 0.0324 0.6004 REM Highest difference peak 0.206, deepest hole -0.109, 1-sigma level 0.029 Q1 1 0.6949 0.6354 0.3454 11.00000 0.05 0.21 Q2 1 0.7043 0.4401 0.1835 11.00000 0.05 0.20 Q3 1 0.7627 0.5393 0.2395 11.00000 0.05 0.19 Q4 1 0.8096 0.6458 0.2889 11.00000 0.05 0.19 Q5 1 0.8421 0.3737 0.1430 11.00000 0.05 0.19 Q6 1 0.7987 0.4537 0.1941 11.00000 0.05 0.18 Q7 1 0.6643 0.5943 0.4006 11.00000 0.05 0.17 Q8 1 0.7192 0.6447 0.2821 11.00000 0.05 0.16 Q9 1 0.9546 0.5677 0.2630 11.00000 0.05 0.16 Q10 1 0.7545 0.6438 0.4085 11.00000 0.05 0.16 Q11 1 0.7943 0.2989 0.0882 11.00000 0.05 0.15 Q12 1 0.6400 0.5913 0.4624 11.00000 0.05 0.15 Q13 1 0.8447 0.5981 0.4037 11.00000 0.05 0.15 Q14 1 0.8175 0.5163 0.6029 11.00000 0.05 0.14 Q15 1 0.8459 0.2129 0.1393 11.00000 0.05 0.14 Q16 1 0.8767 0.6311 0.3486 11.00000 0.05 0.14 Q17 1 0.9071 0.6750 0.2890 11.00000 0.05 0.13 Q18 1 0.8963 0.4686 0.2055 11.00000 0.05 0.13 Q19 1 0.7634 0.3728 0.2386 11.00000 0.05 0.12 Q20 1 0.8824 0.3231 0.0973 11.00000 0.05 0.12 ; _shelx_res_checksum 22836 _shelx_hkl_file ; -4 0 0 1638.91 63.2732 5 4 0 0 1687.33 63.2999 5 4 0 0 1765.90 63.3574 5 -4 0 0 1706.36 63.2320 5 6 0 0 617.087 23.8369 5 -6 0 0 612.578 23.8577 5 6 0 0 552.120 23.2097 3 -6 0 0 625.035 23.7504 5 6 0 0 633.714 23.8083 5 8 0 0 729.957 29.1913 3 8 0 0 780.283 29.7384 5 -8 0 0 729.134 29.6020 5 8 0 0 786.869 29.6246 5 -8 0 0 735.024 29.3517 1 -8 0 0 751.929 29.5367 5 10 0 0 2304.74 88.3341 3 10 0 0 2354.81 88.5240 5 -10 0 0 2372.62 89.0865 1 12 0 0 103.933 6.79832 2 12 0 0 98.6509 6.28983 3 14 0 0 33.4298 3.93388 2 16 0 0 3.05005 1.36454 3 -1 -1 0 52.6309 2.66320 5 1 -1 0 52.3951 2.26670 5 -1 -1 0 56.4050 2.74276 5 -1 1 0 55.8762 2.20756 5 1 1 0 53.1766 2.68038 5 1 1 0 56.1608 2.70100 5 -3 -1 0 588.975 23.4868 5 -3 -1 0 630.670 23.6301 5 3 -1 0 594.251 22.3429 5 3 -1 0 593.901 22.3331 5 3 1 0 600.621 23.5256 5 3 1 0 630.473 23.5654 5 -5 -1 0 103.800 5.53455 5 5 -1 0 107.452 4.38779 5 5 -1 0 102.102 4.38766 5 -5 -1 0 100.475 5.40582 5 5 1 0 108.706 5.49801 5 5 1 0 106.430 5.00878 3 5 1 0 106.302 5.52504 5 7 -1 0 981.166 36.7307 5 -7 -1 0 988.976 38.5474 5 7 -1 0 981.289 36.6705 5 7 -1 0 897.049 36.4635 3 -7 -1 0 912.500 37.9212 1 7 1 0 1021.21 37.6893 3 7 1 0 1018.57 38.3316 5 7 1 0 1018.37 38.4652 5 9 -1 0 64.3920 3.76048 3 -9 -1 0 69.2415 5.28082 5 -9 -1 0 71.4542 6.11794 1 9 -1 0 68.2963 3.44198 5 9 -1 0 70.1835 3.42323 5 9 1 0 64.1327 4.40791 3 9 1 0 79.6799 5.27145 5 -11 -1 0 276.013 12.6228 1 11 -1 0 245.690 11.5967 3 11 1 0 256.835 12.6676 3 11 1 0 263.150 13.1480 2 13 -1 0 8.22037 2.09245 2 13 -1 0 6.28219 1.78965 3 -13 -1 0 5.38133 1.69885 1 13 1 0 9.63334 2.66287 2 15 -1 0 73.5223 5.14536 3 15 1 0 75.2668 5.28002 2 15 1 0 83.8550 5.67613 3 -2 -2 0 25.7655 1.95756 3 2 -2 0 27.2690 1.47657 5 2 -2 0 27.9875 1.51096 5 -2 -2 0 29.1191 2.27178 5 2 2 0 27.1629 2.13709 5 2 2 0 31.2777 2.22441 5 -2 2 0 26.9397 1.29042 5 -2 2 0 28.9079 1.35969 5 -4 -2 0 164.474 7.75330 3 -4 -2 0 183.762 8.51307 5 -4 -2 0 166.442 8.22468 5 4 2 0 171.144 8.26985 5 4 2 0 168.142 7.63341 3 -6 -2 0 206.570 10.1439 1 -6 -2 0 210.290 10.9755 5 -6 -2 0 217.471 10.6581 5 6 2 0 218.428 9.74053 3 6 2 0 221.440 10.4372 5 6 2 0 205.934 10.0843 2 6 2 0 216.031 10.4811 5 -8 -2 0 25.3063 3.18139 1 -8 -2 0 31.4420 3.73542 5 8 2 0 29.7679 3.30450 5 8 2 0 23.3933 3.09649 6 8 2 0 30.4981 3.22453 5 8 2 0 30.4780 2.79582 3 8 2 0 29.5280 3.04560 2 8 2 0 30.7481 3.61150 1 -10 -2 0 261.680 12.7217 1 10 -2 0 238.274 10.4672 3 10 2 0 252.152 12.4164 3 10 2 0 246.002 12.6407 2 -12 -2 0 290.953 14.3069 1 12 -2 0 282.435 12.8853 3 12 2 0 302.613 14.6578 2 -14 -2 0 279.254 14.4907 1 14 2 0 307.931 14.7827 3 14 2 0 306.262 14.6074 2 16 -2 0 55.8358 4.09383 3 16 2 0 53.6910 4.40433 3 16 2 0 50.4980 4.15242 2 16 2 0 64.5997 5.23653 4 -1 -3 0 663.009 25.5787 5 1 -3 0 656.565 24.9599 5 -1 -3 0 650.723 25.4226 5 -1 -3 0 588.417 24.8498 3 1 -3 0 646.804 24.8191 5 1 3 0 640.171 25.1773 5 -1 3 0 618.423 24.6551 5 1 3 0 645.538 25.3894 5 3 -3 0 707.713 25.5009 5 3 -3 0 668.652 25.4904 5 -3 -3 0 694.842 27.4055 5 -3 -3 0 709.582 26.8692 3 -3 -3 0 686.361 27.5542 5 3 3 0 651.376 27.9415 1 3 3 0 647.496 26.2027 3 3 3 0 697.167 27.2183 5 3 3 0 616.983 26.6556 2 3 3 0 666.969 27.2751 5 -5 -3 0 411.406 18.6156 1 -5 -3 0 452.916 19.6803 5 -5 -3 0 453.469 18.3319 3 -5 -3 0 448.969 19.2739 5 5 3 0 414.125 18.2723 2 5 3 0 417.474 18.6426 1 5 3 0 438.389 18.9128 5 5 3 0 437.036 19.0722 5 -7 -3 0 62.1988 5.33753 5 -7 -3 0 67.2853 6.41447 1 7 3 0 59.0310 4.90232 5 7 3 0 57.0644 4.56833 1 7 3 0 61.8664 4.41011 6 7 3 0 64.4603 5.16715 2 -9 -3 0 59.9809 4.99986 1 9 3 0 60.4304 5.00234 1 9 3 0 57.4768 4.87831 2 9 3 0 57.4983 4.37914 6 11 -3 0 110.045 5.77512 3 -11 -3 0 121.892 8.21154 1 11 3 0 119.135 8.05881 2 11 3 0 126.857 7.88525 3 11 3 0 141.093 8.23006 1 13 -3 0 28.4292 2.72740 3 -13 -3 0 37.6248 3.93593 1 13 3 0 30.6775 3.78965 3 13 3 0 37.7543 4.01497 2 -15 -3 0 45.6007 4.82004 1 15 3 0 55.0060 4.59489 3 15 3 0 53.3946 4.96019 4 0 -4 0 2505.90 92.2358 5 0 -4 0 2519.87 91.7786 3 0 -4 0 2608.79 95.0170 5 0 4 0 2532.86 91.7933 5 0 4 0 2306.73 91.5614 1 0 4 0 2362.57 91.8824 2 0 4 0 2309.12 92.1069 6 -2 -4 0 471.126 19.9035 5 2 -4 0 477.007 18.7478 5 -2 -4 0 473.736 20.1243 5 -2 -4 0 491.661 19.4495 3 2 -4 0 474.800 18.7096 5 2 -4 0 441.794 18.2111 3 2 4 0 435.648 19.3201 6 -2 4 0 434.157 18.7811 2 2 4 0 481.003 19.9131 5 -2 4 0 456.326 17.9583 5 -2 4 0 436.607 19.1291 6 2 4 0 450.288 19.1663 2 2 4 0 459.079 19.3077 1 2 4 0 468.975 19.5096 5 -4 -4 0 161.477 9.11902 1 4 -4 0 166.976 7.08236 3 -4 -4 0 182.842 9.99494 5 -4 -4 0 186.442 9.08336 3 -4 -4 0 193.379 9.90814 5 4 4 0 190.069 9.31268 1 -4 4 0 166.715 8.28244 2 4 4 0 170.527 8.89852 2 4 4 0 170.146 8.23309 3 4 4 0 166.714 8.86231 6 4 4 0 181.577 9.73548 5 4 4 0 169.986 8.88922 4 -6 -4 0 71.9176 5.03832 3 -6 -4 0 65.0524 5.99134 5 -6 -4 0 73.9911 5.54371 1 6 4 0 71.5738 5.07844 6 6 4 0 62.6584 4.58251 3 6 4 0 69.6456 5.07805 2 6 4 0 78.0541 5.57825 1 -8 -4 0 21.6289 3.55367 1 8 4 0 16.3566 2.72277 2 8 4 0 18.4705 2.64027 3 8 4 0 15.8839 2.57364 6 -10 -4 0 231.333 12.7085 1 10 4 0 214.422 11.5008 3 10 4 0 231.574 12.1598 2 10 4 0 195.561 14.1554 1 10 4 0 209.484 10.7405 6 -12 -4 0 50.0587 5.06014 1 12 4 0 50.9713 4.96090 2 12 4 0 46.4434 4.88808 1 12 4 0 55.5851 4.81002 3 -14 -4 0 8.45605 2.04436 1 14 4 0 9.79116 2.13142 4 14 4 0 8.35330 1.95254 2 1 -5 0 1085.71 42.8041 5 -1 -5 0 1075.79 43.6179 5 1 -5 0 1108.07 42.3191 3 1 -5 0 1101.96 42.8605 5 -1 -5 0 1136.15 42.9245 3 -1 -5 0 1069.87 43.5209 5 1 5 0 1096.80 46.3680 6 -1 5 0 1025.02 41.5860 1 1 5 0 1049.40 42.9914 5 -1 5 0 1043.02 42.3789 2 1 5 0 1072.24 42.4698 1 -1 5 0 1045.12 42.0242 5 1 5 0 1122.70 42.9097 2 -1 5 0 1140.06 44.2080 6 3 -5 0 152.665 7.35396 3 -3 -5 0 141.951 8.53191 1 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1 8 0 3 201.535 9.36769 5 -8 0 -3 197.437 9.64615 5 8 0 3 210.075 9.45704 3 8 0 3 216.767 9.82464 2 10 0 3 148.016 8.00891 2 -10 0 -3 147.096 7.28439 1 12 0 3 32.6622 3.66078 2 12 0 3 36.8377 3.56755 3 14 0 3 2.44776 1.12762 3 15 -1 -3 51.1464 4.25686 3 15 -1 -3 48.3474 4.59770 2 -13 -1 3 8.94815 1.64741 1 13 -1 -3 4.92664 1.35175 3 13 1 -3 5.60513 1.58124 3 11 -1 -3 2009.77 78.2837 3 -11 -1 3 2143.38 79.3769 1 11 1 -3 2175.05 79.4163 3 11 1 -3 1952.48 79.1216 6 9 -1 -3 1021.75 40.3479 5 9 -1 -3 1093.72 40.8245 5 -9 -1 3 1090.45 42.0285 1 9 -1 -3 1048.11 40.6494 3 9 1 -3 1059.84 42.0203 5 9 1 -3 1084.82 42.7464 5 9 1 -3 1019.15 42.0000 6 9 1 -3 1099.87 41.6952 3 7 -1 -3 361.889 13.7084 5 7 -1 -3 351.163 14.0259 5 -7 -1 3 349.013 15.0381 5 7 -1 -3 325.730 13.4073 3 -7 -1 3 351.285 15.1851 5 -7 -1 3 324.987 14.7084 1 -7 1 3 350.949 13.6034 5 7 1 -3 321.159 14.8673 6 -7 1 3 329.476 13.5915 5 7 1 -3 333.605 14.7371 5 7 1 -3 348.442 14.3860 3 7 1 -3 358.026 15.2428 5 -5 -1 3 1179.26 45.2489 5 5 -1 -3 1173.68 44.4391 5 5 -1 -3 1224.12 44.1439 5 -5 -1 3 1221.64 45.4435 5 5 1 -3 1177.29 45.3419 5 -5 1 3 1145.30 44.1773 5 5 1 -3 1094.76 44.5377 3 -5 1 3 1204.19 44.2981 5 5 1 -3 1203.59 45.0947 5 3 -1 -3 356.334 14.3748 5 3 -1 -3 381.921 14.1941 5 -3 -1 3 346.926 14.6804 5 -3 -1 3 359.397 14.8493 5 3 1 -3 371.349 14.6403 5 -3 1 3 349.251 14.0192 5 -3 1 3 388.387 14.2905 5 3 1 -3 360.107 14.8338 5 -1 -1 3 2517.57 91.7626 5 1 1 -3 2425.32 91.6803 5 1 -1 3 235.518 9.38096 5 1 -1 3 227.851 9.29326 5 -1 -1 -3 224.153 9.67038 5 -1 -1 -3 234.946 9.59661 5 1 1 3 240.295 9.47772 5 -1 1 -3 227.036 9.41103 5 1 1 3 236.709 9.73047 5 -1 1 -3 232.319 9.11372 5 3 -1 3 2912.39 101.877 5 3 -1 3 2850.74 101.640 5 -3 -1 -3 2736.16 102.648 5 3 1 3 2711.96 102.669 5 3 1 3 2847.16 102.411 5 3 1 3 2489.71 101.984 3 -3 1 -3 2739.33 101.782 5 5 -1 3 3670.55 136.561 5 -5 -1 -3 3634.50 137.703 5 5 -1 3 3387.84 136.011 3 5 -1 3 3786.96 136.320 5 -5 -1 -3 3764.16 137.942 5 5 1 3 3631.88 137.737 5 5 1 3 3960.05 137.501 5 5 1 3 3749.01 137.135 3 -5 1 -3 3756.12 136.335 5 -5 1 -3 3629.61 136.323 5 -7 -1 -3 195.608 9.72811 1 7 -1 3 201.711 8.74438 3 7 -1 3 206.240 8.59813 5 -7 -1 -3 207.621 10.3503 5 7 -1 3 206.982 8.88558 5 7 1 3 206.932 10.2928 5 7 1 3 206.795 9.73681 2 7 1 3 201.858 9.55550 3 7 1 3 208.772 9.81156 5 9 -1 3 25.1578 2.06860 5 -9 -1 -3 28.2256 2.88114 1 -9 -1 -3 22.5628 4.83556 5 9 -1 3 21.2309 2.05492 3 9 1 3 25.9249 2.81713 2 -11 -1 -3 267.924 12.7074 1 11 1 3 266.720 13.1163 3 11 1 3 265.512 12.8073 2 13 -1 3 76.7758 5.34266 3 13 1 3 75.9272 5.60742 2 13 1 3 94.0622 6.19505 3 15 -1 3 254.435 11.6807 3 15 -1 3 247.717 12.3571 4 15 1 3 253.733 12.2290 3 15 1 3 239.732 12.9170 4 16 2 -3 9.68701 2.05279 3 16 2 -3 10.7801 2.35772 2 14 -2 -3 20.7158 2.82855 3 -14 -2 3 27.2285 3.11449 1 -12 -2 3 88.3136 6.22356 1 12 -2 -3 77.4847 4.79900 3 12 2 -3 76.6628 6.31969 2 12 2 -3 71.1191 5.71179 3 10 -2 -3 325.085 13.6827 3 -10 -2 3 343.080 15.8718 1 10 2 -3 324.242 15.4296 6 10 2 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1351.89 52.2387 5 -2 -2 -3 1339.17 51.7116 3 2 -2 3 1459.82 51.1829 5 -2 -2 -3 1396.61 52.2472 5 2 2 3 1305.66 51.4063 3 2 2 3 1398.59 52.0608 5 2 2 3 1343.77 52.1773 5 -2 2 -3 1319.04 50.9175 5 4 -2 3 26.3226 1.32235 5 -4 -2 -3 21.0555 2.43572 1 -4 -2 -3 23.6857 2.57033 3 4 -2 3 25.8595 1.30924 5 -4 -2 -3 26.6888 2.55706 5 4 2 3 21.4113 2.30565 5 4 2 3 19.7511 2.05999 5 -6 -2 -3 333.283 14.9095 1 -6 -2 -3 350.554 15.6182 5 6 2 3 321.920 14.4168 2 6 2 3 325.952 14.6670 1 6 2 3 325.978 15.2730 5 6 2 3 324.148 14.7652 5 6 2 3 339.565 14.3503 3 8 -2 3 202.727 8.73670 3 -8 -2 -3 210.577 12.0867 5 -8 -2 -3 217.779 10.9390 1 8 2 3 204.114 10.5973 1 8 2 3 220.610 12.8323 5 8 2 3 210.431 10.4602 2 8 2 3 193.946 10.9113 5 8 2 3 228.121 10.5824 3 -10 -2 -3 562.819 24.1956 1 10 2 3 534.722 23.5738 2 10 2 3 559.959 23.9196 3 -12 -2 -3 82.5931 5.98776 1 12 2 3 93.9993 8.77148 3 12 2 3 79.7040 5.73305 2 14 2 3 8.32102 2.02477 3 14 2 3 8.04891 2.25876 4 14 2 3 10.6433 2.10601 2 15 -3 -3 11.4455 1.83333 3 15 3 -3 12.9449 3.57465 3 15 3 -3 10.8952 2.43974 2 -13 -3 3 32.5815 4.03034 1 13 3 -3 38.1158 4.01249 3 13 3 -3 32.2597 4.20749 2 13 3 -3 29.9703 4.09997 6 11 -3 -3 460.793 18.7546 3 -11 -3 3 409.008 24.5752 1 11 3 -3 498.626 21.5548 3 11 3 -3 470.897 20.7247 6 11 3 -3 479.093 21.5768 1 -9 -3 3 11.0832 2.25775 1 9 -3 -3 10.9280 1.55352 3 -9 -3 3 14.9675 3.05181 5 9 3 -3 16.0638 2.87829 1 9 3 -3 8.45209 2.04565 3 9 3 -3 6.72727 1.76929 6 -7 -3 3 21.8564 2.90807 1 -7 -3 3 25.6998 3.04296 3 7 3 -3 25.0673 2.53164 3 7 3 -3 26.2529 3.08124 5 7 3 -3 21.5134 3.03073 1 7 3 -3 21.3692 2.85196 2 7 3 -3 23.9012 3.00055 6 -5 -3 3 376.027 20.5609 5 -5 -3 3 427.773 17.4392 3 5 -3 -3 425.260 15.7157 5 -5 -3 3 420.010 18.1888 5 -5 -3 3 391.245 17.7157 1 -5 3 3 372.066 17.1719 4 5 3 -3 421.260 18.2046 5 5 3 -3 396.306 17.6184 6 5 3 -3 427.433 17.6073 2 5 3 -3 429.692 17.1086 3 5 3 -3 389.211 17.7882 1 -3 -3 3 972.026 36.3672 5 -3 -3 3 881.411 35.3360 3 3 -3 -3 941.622 34.8200 5 3 -3 -3 859.631 34.3125 3 -3 -3 3 941.658 36.1123 5 3 3 -3 921.316 36.0463 5 3 3 -3 926.495 35.7850 5 3 3 -3 848.376 35.7574 1 -3 3 3 906.374 34.6045 5 -3 3 3 943.619 34.3065 5 3 3 -3 870.034 35.6625 6 1 -3 -3 680.638 27.5527 3 -1 -3 3 714.647 27.6600 3 -1 -3 3 743.091 28.4350 5 1 -3 -3 702.187 27.9712 5 1 -3 -3 714.677 28.0570 5 -1 -3 3 725.010 28.2514 5 1 3 -3 678.399 29.8458 5 -1 3 3 711.008 27.9458 5 1 3 -3 719.265 28.1758 5 -1 3 3 737.648 27.5488 5 1 -3 3 1653.28 59.4448 5 -1 -3 -3 1608.17 59.7232 3 1 -3 3 1447.45 58.6671 3 -1 -3 -3 1574.56 60.2614 5 1 3 3 1603.97 60.2130 5 1 3 3 1553.80 59.6654 5 -1 3 -3 1580.15 58.8848 5 -1 3 -3 1595.58 59.1879 5 -3 -3 -3 314.427 14.0584 5 -3 -3 -3 311.374 13.2163 3 -3 -3 -3 271.122 13.3168 1 -3 -3 -3 304.755 13.8591 5 3 -3 3 308.437 11.8940 5 3 -3 3 312.038 11.9291 5 3 3 3 284.736 13.5203 2 3 3 3 289.643 12.6670 3 3 3 3 282.009 13.0856 1 3 3 3 301.192 13.8420 5 3 3 3 294.716 13.3962 4 3 3 3 329.520 13.5720 5 -5 -3 -3 571.365 23.1219 3 -5 -3 -3 566.650 24.5290 5 -5 -3 -3 578.733 23.8910 1 5 3 3 546.222 23.1328 2 5 3 3 557.360 24.2690 5 5 3 3 582.374 23.0253 3 5 3 3 518.280 22.5810 6 5 3 3 559.367 23.4273 1 5 3 3 587.487 23.8761 5 -7 -3 -3 282.941 13.6676 1 -7 -3 -3 265.410 14.4568 5 7 3 3 251.618 14.2713 5 7 3 3 291.921 12.9976 3 7 3 3 270.508 13.1550 1 7 3 3 280.496 13.0403 2 7 3 3 269.735 12.2154 6 -9 -3 -3 5.96136 1.81001 1 9 3 3 5.66573 1.69720 1 9 3 3 5.73774 1.72817 3 9 3 3 6.04146 1.69508 2 -11 -3 -3 104.934 7.20010 1 11 -3 3 89.6309 5.16706 3 11 3 3 93.3079 6.71422 3 11 3 3 103.212 6.75451 2 -13 -3 -3 1.66881 2.64639 1 13 3 3 5.79576 1.89082 3 13 3 3 3.46692 1.61155 4 -14 -4 3 15.1379 2.59516 1 14 4 -3 16.1792 3.04041 3 12 -4 -3 113.891 5.99059 3 -12 -4 3 121.599 8.47374 1 12 4 -3 116.738 7.37553 6 12 4 -3 121.167 8.34688 2 12 4 -3 126.839 8.36296 1 12 4 -3 114.811 7.65444 3 -10 -4 3 113.987 8.12844 1 10 -4 -3 87.8625 4.90470 3 10 4 -3 105.235 7.38578 1 10 4 -3 95.0993 7.49827 2 10 4 -3 107.496 6.95357 3 10 4 -3 96.4314 6.73911 6 -8 -4 3 0.76333 1.33940 1 8 -4 -3 2.36698 0.99119 3 8 4 -3 2.88887 1.68452 2 8 4 -3 1.29205 1.00204 3 8 4 -3 -0.2258 0.94532 1 8 4 -3 1.02873 1.57668 6 -6 -4 3 560.202 27.5708 1 -6 -4 3 574.582 26.0706 5 6 -4 -3 549.812 23.7732 3 -6 -4 3 575.178 24.3335 3 6 4 -3 572.598 24.6815 6 6 4 -3 575.670 23.6996 3 6 4 -3 628.300 26.8607 1 6 4 -3 551.109 25.1120 5 6 4 -3 617.789 24.7256 2 4 -4 -3 105.550 5.23170 5 -4 -4 3 100.442 6.08987 3 4 -4 -3 102.371 6.00158 3 -4 -4 3 106.612 6.60965 1 -4 -4 3 102.350 6.93145 5 -4 -4 3 108.544 6.98350 5 4 -4 -3 106.724 5.35083 5 4 4 -3 112.932 6.22232 2 -4 4 3 106.109 5.96315 2 -4 4 3 108.247 4.45613 5 -4 4 3 104.168 4.34205 5 4 4 -3 105.250 6.45117 6 -4 4 3 93.6875 5.91502 4 4 4 -3 105.065 6.56462 5 4 4 -3 100.197 6.42491 1 4 4 -3 97.7580 5.52190 3 -2 -4 3 180.375 8.80155 3 -2 -4 3 191.891 9.65991 5 2 -4 -3 182.859 8.78392 5 2 -4 -3 201.990 8.91390 5 -2 -4 3 189.388 9.46287 5 2 -4 -3 176.281 8.33705 3 2 4 -3 175.208 8.74637 2 -2 4 3 174.720 8.72131 2 -2 4 3 176.657 8.51638 5 2 4 -3 169.276 8.90073 1 2 4 -3 168.856 9.06491 6 -2 4 3 180.881 8.04326 5 2 4 -3 176.806 8.95031 5 2 4 -3 181.371 9.20998 5 -2 4 3 174.629 8.81150 6 0 -4 -3 1255.52 48.3965 5 0 -4 3 1197.50 47.1906 3 0 -4 3 1297.50 47.9256 5 0 -4 3 1223.00 47.9217 5 0 -4 -3 1296.03 47.7862 3 0 -4 -3 1262.13 48.2606 5 0 4 -3 1171.49 47.3471 1 0 4 -3 1239.64 47.2356 5 0 4 3 1179.77 47.6972 2 0 4 3 1185.60 47.6906 6 0 4 3 1294.11 48.2997 5 0 4 -3 1203.10 47.9459 6 0 4 -3 1274.38 47.6387 5 0 4 3 1221.70 47.3209 1 0 4 3 1248.81 47.4560 5 0 4 3 1229.11 47.8972 4 -2 -4 -3 331.598 14.5291 3 2 -4 3 328.725 13.7022 5 2 -4 3 353.675 13.7786 5 2 -4 3 315.191 13.5008 3 -2 -4 -3 332.304 15.2394 5 -2 -4 -3 311.335 15.2218 5 -2 -4 -3 313.231 14.6337 1 2 4 3 307.224 14.1436 6 2 4 3 335.729 14.3448 1 -2 4 -3 307.905 14.1852 6 -2 4 -3 321.096 12.9015 5 2 4 3 319.103 15.0912 5 2 4 3 314.172 14.3161 2 2 4 3 340.405 14.7823 4 -4 -4 -3 377.173 17.7767 1 4 -4 3 395.123 15.4288 3 -4 -4 -3 430.890 17.6669 3 -4 -4 -3 374.048 18.5318 5 4 4 3 392.517 18.5543 5 4 4 3 406.059 16.7471 3 4 4 3 401.300 17.4967 1 -4 4 -3 381.162 16.6961 6 4 4 3 381.000 16.9797 6 4 4 3 401.272 17.3949 2 4 4 3 414.750 17.8942 4 -6 -4 -3 337.661 15.2752 3 -6 -4 -3 332.359 16.2003 1 -6 -4 -3 315.880 17.1498 5 6 4 3 335.390 15.4844 2 6 4 3 312.867 15.2498 6 6 4 3 328.903 14.8494 3 6 4 3 341.275 15.6606 1 6 4 3 343.421 16.0454 4 -8 -4 -3 146.587 9.26006 1 8 4 3 139.758 8.42345 1 8 4 3 143.711 9.09984 4 8 4 3 142.842 8.14917 3 8 4 3 121.549 7.38726 6 8 4 3 147.527 8.61257 2 -10 -4 -3 127.066 8.74131 1 10 4 3 138.040 9.21768 4 10 4 3 131.469 8.09732 3 10 4 3 118.027 7.89950 2 -12 -4 -3 2.91322 1.26342 1 12 4 3 0.68035 1.45950 2 12 4 3 4.88251 1.59231 3 12 4 3 3.34131 1.52731 4 -14 -4 -3 14.3576 2.16649 1 14 4 3 16.1540 2.38730 2 14 4 3 12.5482 2.70365 4 -13 -5 3 26.6037 3.61151 1 13 5 -3 31.1518 3.67624 2 13 5 -3 35.0398 3.58891 6 13 5 -3 29.0630 3.69728 1 13 5 -3 21.4855 3.73973 4 -11 -5 3 352.563 17.7060 1 11 5 -3 345.525 17.1043 1 11 5 -3 350.659 17.2315 2 11 5 -3 328.918 16.8523 4 11 5 -3 314.741 15.6883 3 11 5 -3 343.031 16.2919 6 -9 -5 3 11.4924 2.89362 1 9 -5 -3 10.9386 1.61062 3 9 5 -3 14.1354 2.64714 6 9 5 -3 15.5599 2.91019 2 9 5 -3 12.2765 2.49021 3 9 5 -3 10.3536 2.46150 1 -7 -5 3 42.9860 4.56058 1 7 -5 -3 42.5291 3.11450 3 -7 -5 3 33.8648 4.25468 3 7 5 -3 34.5131 3.86353 4 7 5 -3 35.0926 3.86733 3 7 5 -3 43.3670 4.40086 1 7 5 -3 41.0483 4.14809 2 7 5 -3 41.4101 4.21473 6 5 -5 -3 245.345 10.8179 3 -5 -5 3 259.659 13.7800 3 -5 -5 3 232.613 12.6806 1 -5 5 3 215.223 11.7117 4 5 5 -3 254.663 12.8355 1 5 5 -3 252.011 12.2492 2 5 5 -3 215.226 11.3964 4 -5 5 3 244.706 11.8663 2 5 5 -3 252.458 12.6755 6 -3 -5 3 123.314 7.10349 3 3 -5 -3 115.767 6.43103 5 -3 -5 3 114.990 7.99268 5 -3 -5 3 108.030 7.23457 1 3 -5 -3 111.485 6.60207 5 3 -5 -3 116.560 6.29944 3 -3 5 3 115.750 6.00775 5 -3 5 3 105.471 6.73006 4 3 5 -3 103.153 7.10945 5 3 5 -3 108.726 7.11007 6 3 5 -3 117.588 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1876.34 72.0876 5 -2 -2 6 1947.11 72.8831 5 2 2 -6 1932.17 72.1562 5 -2 2 6 1971.21 72.5698 5 -2 2 6 1945.96 71.9477 5 2 2 -6 1905.11 72.8934 5 0 -2 6 2073.32 74.5022 5 0 -2 -6 1929.47 74.6882 5 0 -2 -6 1926.11 74.4084 5 0 -2 -6 1947.99 74.1747 3 0 -2 6 1872.40 73.6126 3 0 -2 6 2063.90 74.2600 5 0 2 -6 1991.12 74.5374 5 0 2 6 1970.28 74.7206 5 0 2 6 1891.24 73.7995 3 0 2 -6 2000.57 73.8099 5 0 2 6 2050.79 74.1306 5 2 -2 6 45.0372 2.95212 5 -2 -2 -6 40.1195 3.10595 1 2 -2 6 43.3899 2.75610 5 -2 -2 -6 40.6541 3.26158 5 2 -2 6 36.3767 2.36240 3 -2 -2 -6 40.3417 3.01452 3 -2 -2 -6 43.7260 3.43598 5 2 2 6 42.1887 2.85133 3 -2 2 -6 34.4222 2.75693 5 2 2 6 41.5832 3.35859 5 2 2 6 43.9196 3.25908 4 -4 -2 -6 291.105 13.7229 5 -4 -2 -6 306.065 13.7091 3 -4 -2 -6 269.485 13.0589 1 4 -2 6 268.546 11.6187 3 -4 -2 -6 293.791 13.8236 5 4 -2 6 298.379 12.0006 5 4 -2 6 292.266 12.1922 5 4 2 6 292.167 13.7665 5 -4 2 -6 276.080 11.7819 5 -4 2 -6 260.456 11.8383 1 -4 2 -6 289.484 11.7011 5 4 2 6 303.735 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661.337 27.1401 5 -4 2 9 665.549 27.7914 4 4 2 -9 707.661 28.2040 6 -4 2 9 644.001 27.0689 5 4 2 -9 668.933 26.8698 3 4 2 -9 675.851 27.4645 5 4 2 -9 643.201 28.1268 1 4 2 -9 669.363 28.7043 5 -4 2 9 667.333 27.7777 5 -2 -2 9 355.272 14.8367 3 2 -2 -9 357.768 14.8208 3 2 -2 -9 314.723 15.1433 1 -2 -2 9 351.764 15.5240 5 2 -2 -9 331.477 15.0536 5 2 -2 -9 357.718 15.8953 5 -2 -2 9 352.387 15.6971 5 -2 2 9 364.004 15.8052 5 2 2 -9 324.621 15.4727 1 -2 2 9 338.416 15.3167 4 2 2 -9 343.189 14.8570 5 -2 2 9 332.022 14.5246 2 2 2 -9 343.480 15.9727 5 2 2 -9 362.752 15.3994 6 -2 2 9 324.484 14.7849 5 0 -2 -9 1682.14 66.3368 5 0 -2 -9 1675.13 66.1578 1 0 -2 -9 1818.45 68.4069 5 0 -2 9 1753.45 66.0960 5 0 -2 9 1680.80 66.3005 5 0 -2 9 1727.91 65.3864 3 0 -2 -9 1780.19 65.6247 3 0 2 9 1774.89 65.4768 3 0 2 9 1735.99 65.9303 5 0 2 -9 1673.37 66.1949 1 0 2 9 1759.39 66.3671 4 0 2 9 1724.78 66.8574 5 0 2 -9 1672.63 66.6436 5 0 2 -9 1712.84 65.4383 5 2 -2 9 159.749 8.14867 5 2 -2 9 156.795 8.34026 5 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1.83046 3 15 -3 -9 11.8781 2.90500 6 -15 -3 9 8.79244 1.90802 1 15 3 -9 11.1760 2.05507 6 15 3 -9 7.69026 2.33088 2 13 -3 -9 44.2153 3.87980 3 -13 -3 9 45.7727 4.82344 1 13 3 -9 39.8989 4.36398 3 13 3 -9 46.0255 5.07235 6 13 3 -9 43.1140 4.84257 2 13 3 -9 46.3197 5.56265 1 -11 -3 9 141.245 9.33085 1 11 -3 -9 136.325 7.53561 3 11 3 -9 118.987 8.20672 3 11 3 -9 128.214 9.20475 6 11 3 -9 151.039 11.0171 1 -9 -3 9 13.2825 2.73948 1 9 -3 -9 8.74977 1.58344 3 9 3 -9 6.79524 2.18860 6 9 3 -9 6.37159 1.82944 1 -7 -3 9 284.513 14.7107 1 7 -3 -9 311.029 13.1954 3 -7 -3 9 286.096 13.5652 3 -7 -3 9 255.216 15.0565 5 -7 3 9 312.762 14.9044 4 7 3 -9 286.194 13.4024 3 7 3 -9 273.975 14.7655 5 7 3 -9 282.385 14.8746 1 7 3 -9 297.129 15.0505 6 -7 3 9 295.348 12.9384 1 -5 -3 9 5.95581 1.83138 1 5 -3 -9 9.66292 1.82272 5 5 -3 -9 8.68072 1.72516 3 -5 -3 9 5.88908 1.59949 5 5 -3 -9 6.87631 2.15040 5 -5 -3 9 8.01637 1.88790 3 5 3 -9 6.42854 2.58743 1 5 3 -9 7.62263 1.57669 5 5 3 -9 14.0401 4.25905 6 -5 3 9 7.54095 1.70362 5 3 -3 -9 47.9676 4.52232 5 -3 -3 9 55.8582 4.71848 5 -3 -3 9 57.8014 4.71343 1 -3 -3 9 45.5575 4.17901 5 3 -3 -9 50.2010 4.05925 5 -3 -3 9 53.6965 3.96270 3 3 -3 -9 51.1848 3.93681 3 3 -3 -9 41.3051 6.67914 1 -3 3 9 48.2874 4.23231 4 -3 3 9 57.4541 3.90536 2 3 3 -9 45.4704 3.97335 5 3 3 -9 47.3124 4.34802 1 -3 3 9 49.4895 4.29248 5 3 3 -9 49.5142 4.51503 6 1 -3 -9 486.887 22.3252 5 -1 -3 9 546.730 21.7007 3 1 -3 -9 519.958 23.0540 5 -1 -3 9 549.952 22.7557 5 1 -3 -9 477.361 21.9786 1 -1 -3 9 508.358 22.4290 5 1 -3 -9 561.230 22.1538 3 -1 3 9 560.131 22.7170 4 -1 3 9 495.701 22.6101 5 -1 3 9 509.615 21.5285 2 1 3 -9 487.612 21.4324 5 1 3 -9 529.772 22.4334 1 1 3 -9 538.666 22.1260 6 1 -3 9 66.8931 4.21001 3 1 -3 9 57.9258 6.75433 5 -1 -3 -9 64.1080 4.93079 1 -1 -3 -9 67.3384 5.34712 5 -1 -3 -9 72.8172 4.77317 3 1 -3 9 66.9798 4.81491 5 -1 3 -9 73.6531 4.86031 1 -1 3 -9 63.9049 4.17377 5 1 3 9 59.4280 5.29056 5 1 3 9 78.3531 7.91815 4 1 3 9 65.8533 4.40248 3 1 3 9 63.2631 4.31721 2 3 -3 9 774.836 29.6547 3 -3 -3 -9 760.216 31.3556 1 -3 -3 -9 654.558 31.7375 5 -3 -3 -9 760.195 29.8677 3 3 3 9 737.136 30.7295 2 3 3 9 777.702 30.1481 3 3 3 9 699.184 31.9625 5 -3 3 -9 725.684 29.5801 1 3 3 9 771.992 31.3773 4 5 -3 9 1104.32 41.4890 3 5 -3 9 999.318 40.7999 5 5 3 9 1105.04 43.7797 4 5 3 9 1012.17 41.7158 2 5 3 9 1075.39 42.3087 3 -7 -3 -9 9.73205 2.39372 1 7 3 9 11.2941 2.26606 3 7 3 9 9.67062 1.94276 2 7 3 9 6.97948 1.80544 4 9 -3 9 39.8641 3.43699 3 -9 -3 -9 35.3583 4.14212 1 9 3 9 38.5360 4.64991 4 9 3 9 29.9388 3.50119 2 9 3 9 37.0593 3.78458 3 -11 -3 -9 27.9767 3.33871 1 11 -3 9 24.1910 3.44576 3 11 3 9 24.2538 3.44278 4 11 3 9 29.3174 3.30609 3 -14 -4 9 31.7276 3.90475 1 14 -4 -9 35.6375 3.40469 3 14 4 -9 28.1625 3.91343 6 14 4 -9 32.0811 3.93960 2 14 4 -9 37.7951 4.75753 1 -12 -4 9 48.8367 5.15620 1 12 -4 -9 43.7695 3.71675 3 12 4 -9 46.7326 5.13095 6 12 4 -9 52.2637 5.32219 1 12 4 -9 43.8462 4.83615 2 -10 -4 9 164.568 10.4779 1 10 -4 -9 157.800 8.28332 3 10 4 -9 160.048 9.81364 2 10 4 -9 150.825 10.3886 1 10 4 -9 138.815 8.87992 3 10 4 -9 157.304 10.4181 6 -8 -4 9 263.249 14.4538 1 8 -4 -9 262.047 12.3357 3 -8 -4 9 258.219 12.9725 3 8 4 -9 269.192 13.5050 2 8 4 -9 236.954 13.5989 3 8 4 -9 265.212 14.4162 6 -8 4 9 275.664 14.4816 4 8 4 -9 262.021 14.6544 1 -6 -4 9 981.884 41.7113 1 6 -4 -9 1023.46 40.0753 3 6 4 -9 985.672 40.1768 2 6 4 -9 1012.83 42.2368 1 6 4 -9 1055.75 41.9793 6 -6 4 9 960.444 41.4197 4 -4 -4 9 22.9923 3.53711 1 -4 -4 9 26.4093 2.92572 3 4 -4 -9 20.3118 4.58647 5 4 -4 -9 18.2159 3.14859 3 -4 4 9 15.4411 2.71355 4 -4 4 9 24.2088 3.44195 5 4 4 -9 24.5994 3.19527 6 4 4 -9 19.9993 2.82093 2 4 4 -9 18.6185 3.25445 1 -4 4 9 22.2023 2.86133 2 2 -4 -9 133.911 8.51648 5 -2 -4 9 139.745 7.87000 3 2 -4 -9 139.020 7.95267 3 2 -4 -9 127.053 7.89420 1 -2 -4 9 138.986 8.62492 1 2 -4 -9 117.194 8.54580 5 -2 -4 9 127.633 8.40710 5 -2 -4 9 147.738 9.20209 5 -2 4 9 144.276 8.52220 4 2 4 -9 142.358 9.21028 6 -2 4 9 136.626 8.57270 5 -2 4 9 133.237 7.62363 2 2 4 -9 134.471 8.32154 1 0 -4 -9 533.786 23.1451 1 0 -4 -9 554.374 22.9087 3 0 -4 9 489.579 22.7237 5 0 -4 9 486.881 25.2033 5 0 -4 9 524.459 22.1381 3 0 4 9 539.199 22.4278 2 0 4 -9 532.047 22.5116 6 0 4 -9 506.578 21.7637 5 0 4 -9 532.129 22.6369 1 0 4 9 569.656 23.5973 4 0 4 9 486.588 23.7016 5 2 -4 9 437.966 18.6461 3 -2 -4 -9 443.991 19.4661 3 -2 -4 -9 435.437 20.1891 1 2 4 9 431.779 19.1592 2 2 4 9 466.809 20.5076 4 -2 4 -9 434.301 18.5206 1 2 4 9 402.681 18.3428 3 -4 -4 -9 91.8645 6.15329 3 4 -4 9 98.2312 5.69986 3 -4 -4 -9 108.230 7.32981 1 4 4 9 89.0422 6.10119 2 4 4 9 91.6542 6.97339 4 4 4 9 85.1330 7.01316 3 -6 -4 -9 62.9184 5.88748 1 6 -4 9 59.9884 4.39577 3 6 4 9 64.7431 4.86430 2 6 4 9 67.0218 5.91362 4 6 4 9 56.0139 4.65837 3 8 -4 9 1.53299 1.08575 3 -8 -4 -9 2.71023 1.38154 1 8 4 9 3.60725 1.63401 2 8 4 9 2.49886 1.50422 3 8 4 9 2.40121 1.75497 4 -10 -4 -9 30.2363 3.82925 1 10 -4 9 28.4556 3.63622 3 10 4 9 32.8677 3.91980 4 10 4 9 22.5813 5.06931 3 10 4 9 27.5083 3.10559 2 13 -5 -9 24.6886 3.01149 3 -13 -5 9 25.5297 3.55887 1 13 5 -9 19.7223 3.01813 1 13 5 -9 20.4570 2.83966 6 13 5 -9 20.2659 3.38011 2 -11 -5 9 92.0272 7.37796 1 11 -5 -9 91.6187 5.66486 3 11 5 -9 88.1994 6.67168 2 11 5 -9 94.6087 7.59245 6 11 5 -9 87.0482 7.44830 1 9 -5 -9 5.18274 1.62364 3 -9 -5 9 7.71424 2.14882 1 9 5 -9 6.50572 2.19274 6 9 5 -9 3.89883 1.44051 1 9 5 -9 3.45801 1.55860 2 -7 -5 9 59.6833 6.68842 1 7 -5 -9 58.1992 4.70280 3 -7 -5 9 61.1150 5.24082 3 -7 5 9 47.3237 7.05934 4 7 5 -9 60.3248 5.59097 1 7 5 -9 57.9555 5.72952 6 7 5 -9 55.4167 4.84303 2 -5 -5 9 300.671 14.9474 3 -5 -5 9 273.335 15.2005 1 5 -5 -9 295.693 14.3653 3 -5 5 9 289.564 15.2580 4 -5 5 9 303.319 14.8438 2 5 5 -9 279.286 15.5464 1 5 5 -9 289.738 13.9077 2 5 5 -9 315.625 15.6131 6 -3 -5 9 88.3554 7.16788 1 -3 -5 9 93.6880 6.45500 3 3 -5 -9 92.8255 6.44369 3 3 5 -9 85.8335 6.58476 1 -3 5 9 79.5820 6.45694 4 3 5 -9 84.0968 6.67381 6 1 -5 -9 26.8360 3.52737 3 -1 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10.3531 2 6 -6 9 217.226 10.9914 3 -6 -6 -9 230.400 13.0251 1 6 6 9 216.267 12.4882 4 6 6 9 225.054 11.6955 2 8 -6 9 63.3744 4.25059 3 -8 -6 -9 73.3396 5.74071 1 8 6 9 53.8060 4.43140 2 8 6 9 65.8677 5.39111 4 11 7 -9 19.7832 2.71882 1 11 7 -9 16.3005 2.64199 6 9 -7 -9 56.3018 4.46075 3 -9 -7 9 59.5381 5.71567 1 9 7 -9 64.7487 5.59249 6 9 7 -9 66.0505 4.74917 2 9 7 -9 60.2711 5.37420 1 -7 -7 9 7.74245 2.71311 1 -7 -7 9 3.27407 2.43522 3 7 -7 -9 5.33331 1.71144 3 7 7 -9 2.46669 1.64585 1 7 7 -9 7.01122 2.01196 6 7 7 -9 6.01224 2.38062 2 -5 -7 9 51.1778 7.57316 1 -5 -7 9 33.8423 4.08961 3 5 -7 -9 32.4930 3.82827 3 -5 7 9 30.8760 4.44435 4 5 7 -9 38.0443 4.57097 6 5 7 -9 38.6794 4.07611 1 -3 -7 9 58.7846 5.46141 3 3 -7 -9 68.3024 5.69841 3 3 7 -9 55.0099 5.56375 6 3 7 -9 55.8882 4.78476 1 -3 7 9 56.7069 5.41776 2 -3 7 9 57.2858 5.29399 4 1 -7 -9 147.836 9.51224 3 -1 -7 9 164.499 9.87278 3 1 7 -9 142.141 7.49371 1 1 7 -9 157.788 9.54436 6 -1 7 9 146.390 9.35359 4 -1 7 9 147.667 9.41648 2 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279.535 13.8215 1 4 -8 9 267.646 12.7994 3 4 8 9 296.046 13.2610 2 4 8 9 252.528 12.5677 4 -14 0 10 1.36071 1.40964 1 14 0 -10 1.78149 1.47005 3 12 0 -10 13.1357 2.77714 6 -12 0 10 9.51204 2.00888 1 -10 0 10 4.19373 1.42445 1 10 0 -10 5.21643 1.68497 3 -8 0 10 600.073 25.3914 1 8 0 -10 628.076 24.8539 3 -8 0 10 558.729 25.7817 5 8 0 -10 588.319 25.9608 1 8 0 -10 565.681 24.6786 5 8 0 -10 610.512 26.9308 5 -6 0 10 1004.47 40.7974 4 -6 0 10 1050.03 40.9488 1 -6 0 10 1028.55 41.3520 5 6 0 -10 1000.20 41.9300 5 6 0 -10 1074.62 40.2791 3 6 0 -10 1005.23 40.3898 5 -4 0 10 22.4314 2.41664 5 -4 0 10 18.6696 2.38551 5 -4 0 10 23.1732 2.49685 1 -4 0 10 15.6855 2.26373 4 -4 0 10 18.4875 2.14982 3 4 0 -10 24.2655 2.31856 5 4 0 -10 16.3196 2.04119 3 4 0 -10 21.0484 3.42962 1 2 0 -10 97.4127 6.49702 5 2 0 -10 95.5256 6.06458 1 -2 0 10 98.8028 5.52644 3 2 0 -10 100.140 5.37436 3 -2 0 10 105.520 6.93550 5 -2 0 10 99.7524 5.74937 5 2 0 -10 101.754 5.58443 5 -2 0 10 95.1908 5.64166 4 0 0 10 655.802 26.8832 4 0 0 -10 660.924 28.1634 5 0 0 -10 665.792 27.5541 1 0 0 10 683.501 27.2287 5 0 0 -10 701.340 27.2690 5 0 0 -10 613.389 27.7259 3 0 0 10 689.998 28.0369 5 0 0 10 702.477 26.9558 3 2 0 10 113.517 6.05643 3 2 0 10 104.034 6.79165 5 -2 0 -10 103.575 6.33957 1 -2 0 -10 110.557 6.45431 5 2 0 10 109.331 6.28247 5 2 0 10 96.3906 5.95657 4 -4 0 -10 1272.79 47.9023 1 -4 0 -10 1167.69 48.0603 5 4 0 10 1241.34 47.6255 5 4 0 10 1140.67 48.2394 5 4 0 10 1263.54 47.2745 3 4 0 10 1164.61 47.2832 4 6 0 10 1268.06 52.8003 4 6 0 10 1452.66 52.8399 3 -6 0 -10 1306.36 52.8834 1 -8 0 -10 2.13987 1.23018 1 8 0 10 3.13121 1.30514 3 10 0 10 46.2709 4.22699 3 10 0 10 41.4088 4.26045 4 12 0 10 0.22421 1.35072 3 12 0 10 -0.3024 2.18872 4 15 -1 -10 248.952 12.4617 3 15 -1 -10 217.671 12.5692 6 -15 -1 10 238.682 10.7054 1 15 1 -10 253.068 12.7635 3 -13 -1 10 7.41089 1.91590 1 13 -1 -10 7.15978 1.98357 6 13 1 -10 10.2548 2.78256 6 13 1 -10 13.1757 3.40672 3 -11 -1 10 63.0735 5.24384 1 11 -1 -10 58.4549 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156.979 10.0403 1 -6 4 20 169.069 9.83391 4 6 4 -20 139.760 8.92851 6 -4 -4 20 -2.7584 2.50817 3 4 -4 -20 -2.6089 2.43772 1 -4 -4 20 -0.0997 2.98593 1 -4 4 20 0.11977 1.63806 4 4 4 -20 1.27334 1.41968 1 -4 4 20 0.27576 0.95344 1 2 -4 -20 -1.0010 2.09307 1 -2 -4 20 2.27874 2.00735 3 -2 4 20 3.03142 1.73859 4 2 4 -20 1.45276 1.57534 1 -2 4 20 1.01407 1.11749 1 0 -4 20 15.8997 2.67760 3 0 -4 -20 18.7086 3.31001 1 0 4 20 13.8578 2.49379 4 10 0 -21 123.910 7.98624 6 10 0 -21 129.867 9.25718 1 -10 0 21 125.749 8.20961 1 8 0 -21 28.3428 3.84534 6 8 0 -21 34.4412 4.80741 1 -8 0 21 28.2506 3.86877 1 6 0 -21 212.245 13.0785 1 -6 0 21 210.857 12.5393 1 4 0 -21 49.8180 5.93442 1 -4 0 21 49.9678 5.41823 1 2 0 -21 142.538 9.75541 1 -2 0 21 141.544 9.36877 1 0 0 -21 6.84804 2.42065 1 0 0 21 9.27282 2.70401 1 2 0 21 5.39383 3.46585 3 2 0 21 -0.1542 3.17728 1 -2 0 -21 7.41321 1.86605 1 11 -1 -21 14.5900 2.70234 6 -11 -1 21 15.5725 2.82562 1 11 1 -21 13.9630 3.28763 1 11 1 -21 10.4769 2.45596 6 -11 1 21 15.2099 2.37472 1 -9 -1 21 10.9583 2.55298 1 9 -1 -21 11.1938 3.27481 1 9 -1 -21 7.79984 2.33595 6 9 1 -21 10.6446 2.43904 6 9 1 -21 12.8701 3.34237 1 -9 1 21 12.9563 2.25493 1 -7 -1 21 4.80431 1.87773 1 7 -1 -21 8.70755 2.21842 6 7 -1 -21 5.88896 2.66563 1 -7 1 21 6.06403 2.47071 1 7 1 -21 7.57574 2.31389 1 7 1 -21 3.20761 2.23022 6 5 -1 -21 41.7478 4.97269 1 -5 1 21 48.6292 5.11285 1 -5 1 21 34.7127 4.14382 4 5 1 -21 47.7321 5.66171 1 -3 -1 21 118.258 8.62030 1 3 -1 -21 124.420 8.90654 1 -3 1 21 105.638 7.19765 4 3 1 -21 125.600 9.04686 1 -3 1 21 121.018 8.44205 1 -1 -1 21 32.0049 4.45964 1 1 -1 -21 51.1575 5.29034 1 1 1 -21 46.5240 5.14940 1 -1 1 21 47.8796 4.73807 1 -1 1 21 39.5445 4.30443 4 -1 -1 -21 5.71749 2.19630 1 1 -1 21 -1.6158 2.12502 3 -1 1 -21 4.63203 1.68404 1 1 1 21 1.17623 2.11675 1 10 -2 -21 11.5653 3.03355 3 10 -2 -21 12.5756 2.44637 6 -10 -2 21 9.81893 1.98102 1 -10 2 21 8.83434 2.03749 1 10 2 -21 17.5996 3.34540 1 10 2 -21 15.3579 2.65041 6 -8 -2 21 4.39884 1.44665 1 8 -2 -21 6.65193 3.43732 1 8 -2 -21 6.49251 4.06929 3 8 -2 -21 8.93634 2.15812 6 8 2 -21 7.16786 2.40690 6 8 2 -21 7.35057 2.13345 1 -8 2 21 7.40910 1.94460 1 6 -2 -21 58.6899 5.47231 6 6 -2 -21 68.7754 6.35275 1 -6 -2 21 65.0638 5.94253 1 6 2 -21 65.0368 6.05483 1 -6 2 21 62.1708 5.57977 1 -6 2 21 63.0636 5.47215 4 4 -2 -21 13.3131 3.58364 1 -4 2 21 13.5071 3.04463 1 4 2 -21 15.3659 3.47871 1 -4 2 21 16.4111 2.76507 4 2 -2 -21 32.3666 4.43039 1 -2 2 21 29.3221 3.98081 4 -2 2 21 34.3946 3.73506 1 2 2 -21 29.7624 4.22412 1 0 -2 21 6.77204 1.92261 3 0 -2 -21 4.80672 2.07084 1 0 2 -21 6.42391 1.86926 1 0 2 21 3.76702 2.17463 4 0 2 21 7.36793 1.93999 1 2 -2 21 36.6705 3.98793 3 -2 -2 -21 30.1916 3.84585 1 2 2 21 29.6663 3.39804 1 -2 2 -21 25.3999 2.92002 1 2 2 21 26.0824 3.47179 4 -9 3 21 1.11276 1.23789 1 9 3 -21 -1.4022 1.59357 6 -7 -3 21 29.3197 3.96909 1 7 -3 -21 22.5051 3.31958 6 7 3 -21 25.1276 4.11115 1 -7 3 21 27.6578 3.52801 4 -7 3 21 21.1450 2.95741 1 -5 -3 21 111.077 8.00538 1 5 -3 -21 93.3348 7.05062 6 5 -3 -21 114.106 8.09628 1 -5 3 21 113.874 7.59172 4 -5 3 21 112.387 7.43570 1 5 3 -21 103.787 7.81425 1 -3 -3 21 9.32004 3.17166 1 3 -3 -21 4.32731 2.38438 1 -3 3 21 8.80552 2.07234 1 3 3 -21 6.12385 2.22084 1 -3 3 21 4.41642 2.01756 4 1 -3 -21 103.579 7.65895 1 -1 -3 21 96.1122 6.60496 3 1 3 -21 112.268 7.09956 1 -1 3 21 120.589 7.18696 4 -6 -4 21 88.5268 6.46129 1 6 4 -21 86.8859 6.38916 1 -6 4 21 89.7117 6.30523 4 -6 4 21 89.9804 5.86370 1 4 -4 -21 36.7479 4.89233 1 -4 -4 21 16.6203 4.09731 1 -4 4 21 28.3562 3.40071 4 -4 4 21 25.9975 2.95899 1 4 4 -21 24.0164 3.39150 1 10 0 -22 42.2349 4.94600 1 -10 0 22 41.2391 4.09417 1 10 0 -22 40.3725 3.89721 6 8 0 -22 0.57806 2.01537 1 -8 0 22 1.71851 1.59502 1 8 0 -22 0.88925 2.08906 6 6 0 -22 16.6022 3.24924 1 -6 0 22 21.5169 3.59674 1 4 0 -22 4.73622 1.96190 1 -4 0 22 6.46493 2.28063 1 2 0 -22 16.8201 2.88374 1 -2 0 22 16.9081 3.02475 1 0 0 -22 1.72040 1.38000 1 0 0 22 3.10102 2.02462 1 9 -1 -22 12.9041 2.70979 6 9 -1 -22 16.1769 3.36481 1 -9 -1 22 14.7083 3.01045 1 -9 1 22 15.9890 2.74372 1 9 1 -22 9.85483 2.71615 1 9 1 -22 12.0217 2.50188 6 7 -1 -22 38.7046 4.74782 1 -7 -1 22 40.9651 4.48818 1 7 1 -22 43.1651 4.85309 1 -7 1 22 39.3836 4.49363 1 -5 -1 22 80.3456 6.88110 1 5 -1 -22 81.5389 7.13279 1 5 1 -22 82.3293 6.95580 1 -5 1 22 94.8872 6.98406 1 -3 -1 22 50.0175 4.98009 1 3 -1 -22 43.8435 5.12147 1 3 1 -22 53.5755 5.25869 1 -3 1 22 44.6610 6.03098 4 -3 1 22 54.0905 4.82381 1 1 -1 -22 133.715 8.98427 1 -1 -1 22 131.224 8.34341 1 1 1 -22 145.277 8.83265 1 -1 1 22 137.846 8.64929 1 8 -2 -22 15.3618 2.76107 6 8 -2 -22 14.5850 3.55844 1 -8 -2 22 17.6745 3.05490 1 6 -2 -22 11.0583 4.08034 6 -6 2 22 18.0163 3.13844 1 6 2 -22 16.5786 3.34014 1 4 -2 -22 4.58222 2.02310 1 -4 -2 22 4.41943 1.90665 1 4 2 -22 8.67426 2.31619 1 -4 2 22 7.02426 1.91130 1 2 -2 -22 19.0913 3.26783 1 -2 2 22 20.0116 3.19764 4 2 2 -22 16.6582 2.65354 1 5 -3 -22 85.4555 6.32927 1 -5 -3 22 67.9790 5.91961 1 -5 3 22 81.4850 5.87424 4 -5 3 22 75.4443 5.65340 1 5 3 -22 81.8894 6.17132 1 -3 -3 22 56.7259 7.58969 1 3 -3 -22 65.3122 6.49151 1 3 3 -22 56.4955 4.79388 1 -3 3 22 60.9185 4.83273 1 -3 3 22 59.2170 5.71380 4 6 0 -23 13.5051 3.05462 1 -4 0 23 8.76582 2.00647 1 4 0 -23 7.40634 1.97652 1 2 0 -23 19.0726 3.08641 1 7 -1 -23 66.9320 5.99831 1 -7 -1 23 88.3035 6.13712 1 -7 1 23 76.0377 6.09092 1 7 1 -23 76.9189 6.34074 1 5 -1 -23 114.217 8.12470 1 -5 -1 23 118.718 8.04324 1 5 1 -23 129.654 8.39751 1 -5 1 23 137.692 8.36179 1 -3 -1 23 74.4229 5.78591 1 3 -1 -23 77.7017 6.17091 1 3 1 -23 72.1923 6.12863 1 -3 1 23 72.2441 5.77880 1 0 0 0 0.00 0.00 0 _exptl_absorpt_process_details ) SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10 ) _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 0.7519 _exptl_absorpt_correction_T_min 0.5974 _exptl_special_details ) The following wavelength and cell were deduced by SADABS from the direction cosines etc. They are given here for emergency use only: CELL 1.34183 13.293 7.294 17.995 90.017 106.051 89.991 ) ; _shelx_hkl_checksum 39059 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, 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 O1 O 0.85040(10) 0.88827(16) 0.32635(8) 0.0287(3) Uani 1 1 d . H1 H 0.908942 0.939889 0.341965 0.043 Uiso 1 1 calc GR O2 O 0.83282(10) 0.55986(17) 0.50194(7) 0.0282(3) Uani 1 1 d . O3 O 0.52540(9) 0.6222(2) 0.38648(7) 0.0328(3) Uani 1 1 d . C1 C 0.64908(13) 0.4401(3) 0.15170(11) 0.0285(4) Uani 1 1 d . H1A H 0.592056 0.423842 0.176756 0.034 Uiso 1 1 calc R H1B H 0.636675 0.557378 0.122855 0.034 Uiso 1 1 calc R C2 C 0.64453(15) 0.2836(3) 0.09457(11) 0.0339(4) Uani 1 1 d . H2A H 0.649628 0.164931 0.122108 0.041 Uiso 1 1 calc R H2B H 0.576534 0.286871 0.054336 0.041 Uiso 1 1 calc R C3 C 0.73279(15) 0.2982(3) 0.05652(11) 0.0329(4) Uani 1 1 d . H3A H 0.722822 0.411088 0.024737 0.040 Uiso 1 1 calc R H3B H 0.728780 0.192450 0.021303 0.040 Uiso 1 1 calc R C4 C 0.84246(14) 0.3028(3) 0.11420(10) 0.0280(4) Uani 1 1 d . C5 C 0.84376(13) 0.4571(2) 0.17413(10) 0.0231(3) Uani 1 1 d . H5 H 0.830611 0.572220 0.142718 0.028 Uiso 1 1 calc R C6 C 0.95008(13) 0.4887(2) 0.23315(10) 0.0253(4) Uani 1 1 d . H6A H 0.963192 0.390434 0.272657 0.030 Uiso 1 1 calc R H6B H 1.006200 0.483501 0.206685 0.030 Uiso 1 1 calc R C7 C 0.95241(13) 0.6748(2) 0.27242(11) 0.0260(4) Uani 1 1 d . H7A H 1.020815 0.690058 0.311472 0.031 Uiso 1 1 calc R H7B H 0.946016 0.772727 0.233255 0.031 Uiso 1 1 calc R C8 C 0.86523(13) 0.6973(2) 0.31178(10) 0.0226(3) Uani 1 1 d . C9 C 0.75807(12) 0.6401(2) 0.25736(9) 0.0208(3) Uani 1 1 d . H9 H 0.742358 0.733899 0.215139 0.025 Uiso 1 1 calc R C10 C 0.75460(12) 0.4522(2) 0.21512(9) 0.0212(3) Uani 1 1 d . C11 C 0.67235(13) 0.6659(3) 0.29905(10) 0.0244(4) Uani 1 1 d . H11A H 0.649392 0.795479 0.293235 0.029 Uiso 1 1 calc R H11B H 0.611444 0.589539 0.272466 0.029 Uiso 1 1 calc R C12 C 0.70228(13) 0.6187(2) 0.38373(9) 0.0225(3) Uani 1 1 d . C13 C 0.61971(13) 0.6063(2) 0.42228(10) 0.0257(3) Uani 1 1 d . C14 C 0.65578(16) 0.5752(3) 0.50481(11) 0.0320(4) Uani 1 1 d . H14 H 0.606658 0.569865 0.534404 0.038 Uiso 1 1 calc R C15 C 0.75738(16) 0.5539(3) 0.53961(10) 0.0310(4) Uani 1 1 d . H15 H 0.778224 0.533328 0.593875 0.037 Uiso 1 1 calc R C16 C 0.80302(13) 0.5934(2) 0.42402(9) 0.0231(3) Uani 1 1 d . C17 C 0.89323(13) 0.5988(3) 0.39033(9) 0.0247(3) Uani 1 1 d . H17A H 0.915810 0.471957 0.383650 0.030 Uiso 1 1 calc R H17B H 0.952515 0.662934 0.426504 0.030 Uiso 1 1 calc R C18 C 0.92102(17) 0.3500(3) 0.06810(12) 0.0379(5) Uani 1 1 d . H18A H 0.912546 0.478765 0.051998 0.057 Uiso 1 1 calc GR H18B H 0.907990 0.271303 0.022247 0.057 Uiso 1 1 calc GR H18C H 0.992478 0.329926 0.100720 0.057 Uiso 1 1 calc GR C19 C 0.87168(15) 0.1126(3) 0.15021(11) 0.0327(4) Uani 1 1 d . H19A H 0.934849 0.122292 0.193755 0.049 Uiso 1 1 calc GR H19B H 0.884891 0.029222 0.111215 0.049 Uiso 1 1 calc GR H19C H 0.813954 0.064869 0.168662 0.049 Uiso 1 1 calc GR C20 C 0.76079(14) 0.2904(3) 0.27135(10) 0.0268(4) Uani 1 1 d . H20A H 0.736545 0.178229 0.241830 0.040 Uiso 1 1 calc GR H20B H 0.716382 0.315935 0.305511 0.040 Uiso 1 1 calc GR H20C H 0.833383 0.274134 0.302481 0.040 Uiso 1 1 calc GR 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 0.0258(6) 0.0207(6) 0.0394(7) -0.0029(5) 0.0087(5) -0.0010(5) O2 0.0290(6) 0.0305(7) 0.0239(6) 0.0029(5) 0.0052(5) 0.0007(5) O3 0.0224(6) 0.0383(7) 0.0397(7) -0.0018(6) 0.0118(5) -0.0033(6) C1 0.0191(8) 0.0332(9) 0.0309(9) -0.0018(8) 0.0032(6) 0.0027(7) C2 0.0263(9) 0.0382(11) 0.0320(10) -0.0074(8) -0.0005(7) -0.0003(8) C3 0.0350(10) 0.0339(10) 0.0272(9) -0.0042(8) 0.0040(7) 0.0051(8) C4 0.0290(9) 0.0275(9) 0.0283(9) -0.0006(7) 0.0095(7) 0.0054(7) C5 0.0206(8) 0.0225(8) 0.0275(8) 0.0049(7) 0.0086(6) 0.0047(7) C6 0.0194(8) 0.0270(9) 0.0309(9) 0.0030(7) 0.0092(7) 0.0035(6) C7 0.0189(8) 0.0274(9) 0.0323(9) 0.0020(7) 0.0082(7) -0.0022(7) C8 0.0186(8) 0.0206(8) 0.0285(8) 0.0007(6) 0.0062(6) 0.0012(6) C9 0.0171(7) 0.0229(8) 0.0219(7) 0.0031(6) 0.0047(6) 0.0029(6) C10 0.0157(7) 0.0219(8) 0.0253(8) 0.0020(7) 0.0044(6) 0.0017(6) C11 0.0181(7) 0.0308(9) 0.0242(8) 0.0009(7) 0.0055(6) 0.0047(7) C12 0.0214(7) 0.0203(8) 0.0261(8) -0.0011(6) 0.0072(6) -0.0005(6) C13 0.0254(8) 0.0215(8) 0.0320(9) -0.0021(7) 0.0111(7) -0.0023(7) C14 0.0361(10) 0.0327(10) 0.0322(9) 0.0020(8) 0.0175(8) -0.0021(8) C15 0.0402(10) 0.0298(10) 0.0246(8) 0.0032(7) 0.0115(8) -0.0013(8) C16 0.0248(8) 0.0209(8) 0.0232(7) 0.0007(6) 0.0057(6) 0.0000(7) C17 0.0177(7) 0.0293(9) 0.0253(8) 0.0025(7) 0.0027(6) 0.0024(7) C18 0.0386(11) 0.0442(12) 0.0358(10) -0.0027(9) 0.0187(9) 0.0050(9) C19 0.0325(9) 0.0279(9) 0.0368(9) -0.0034(8) 0.0078(7) 0.0060(8) C20 0.0266(9) 0.0217(8) 0.0320(9) 0.0035(7) 0.0079(7) -0.0004(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0150 0.0070 '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 0.0410 0.0250 '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 C8 O1 H1 109.5 C15 O2 C16 118.14(14) H1A C1 H1B 107.7 C2 C1 H1A 108.9 C2 C1 H1B 108.9 C2 C1 C10 113.47(15) C10 C1 H1A 108.9 C10 C1 H1B 108.9 C1 C2 H2A 109.4 C1 C2 H2B 109.4 H2A C2 H2B 108.0 C3 C2 C1 111.06(16) C3 C2 H2A 109.4 C3 C2 H2B 109.4 C2 C3 H3A 108.8 C2 C3 H3B 108.8 C2 C3 C4 113.85(15) H3A C3 H3B 107.7 C4 C3 H3A 108.8 C4 C3 H3B 108.8 C3 C4 C5 108.08(14) C3 C4 C18 107.38(16) C18 C4 C5 109.38(16) C19 C4 C3 110.31(16) C19 C4 C5 114.11(14) C19 C4 C18 107.38(15) C4 C5 H5 104.4 C4 C5 C10 116.51(14) C6 C5 C4 114.87(14) C6 C5 H5 104.4 C6 C5 C10 110.61(13) C10 C5 H5 104.4 C5 C6 H6A 109.5 C5 C6 H6B 109.5 H6A C6 H6B 108.1 C7 C6 C5 110.55(14) C7 C6 H6A 109.5 C7 C6 H6B 109.5 C6 C7 H7A 109.0 C6 C7 H7B 109.0 H7A C7 H7B 107.8 C8 C7 C6 112.94(14) C8 C7 H7A 109.0 C8 C7 H7B 109.0 O1 C8 C7 110.40(13) O1 C8 C9 103.15(13) O1 C8 C17 107.19(14) C7 C8 C9 111.25(14) C7 C8 C17 110.74(13) C17 C8 C9 113.76(13) C8 C9 H9 105.0 C8 C9 C10 116.30(13) C10 C9 H9 105.0 C11 C9 C8 109.59(13) C11 C9 H9 105.0 C11 C9 C10 114.68(13) C1 C10 C5 107.79(13) C1 C10 C9 107.91(13) C5 C10 C9 106.58(13) C20 C10 C1 108.29(14) C20 C10 C5 114.70(13) C20 C10 C9 111.33(13) C9 C11 H11A 108.2 C9 C11 H11B 108.2 H11A C11 H11B 107.4 C12 C11 C9 116.17(13) C12 C11 H11A 108.2 C12 C11 H11B 108.2 C13 C12 C11 118.26(14) C16 C12 C11 121.46(14) C16 C12 C13 120.25(15) O3 C13 C12 122.13(15) O3 C13 C14 123.10(16) C14 C13 C12 114.77(15) C13 C14 H14 119.8 C15 C14 C13 120.44(16) C15 C14 H14 119.8 O2 C15 H15 118.1 C14 C15 O2 123.72(16) C14 C15 H15 118.1 O2 C16 C17 112.58(13) C12 C16 O2 122.61(15) C12 C16 C17 124.81(14) C8 C17 H17A 109.3 C8 C17 H17B 109.3 C16 C17 C8 111.68(13) C16 C17 H17A 109.3 C16 C17 H17B 109.3 H17A C17 H17B 107.9 C4 C18 H18A 109.5 C4 C18 H18B 109.5 C4 C18 H18C 109.5 H18A C18 H18B 109.5 H18A C18 H18C 109.5 H18B C18 H18C 109.5 C4 C19 H19A 109.5 C4 C19 H19B 109.5 C4 C19 H19C 109.5 H19A C19 H19B 109.5 H19A C19 H19C 109.5 H19B C19 H19C 109.5 C10 C20 H20A 109.5 C10 C20 H20B 109.5 C10 C20 H20C 109.5 H20A C20 H20B 109.5 H20A C20 H20C 109.5 H20B C20 H20C 109.5 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance O1 H1 0.8400 O1 C8 1.440(2) O2 C15 1.357(2) O2 C16 1.3688(19) O3 C13 1.247(2) C1 H1A 0.9900 C1 H1B 0.9900 C1 C2 1.526(3) C1 C10 1.547(2) C2 H2A 0.9900 C2 H2B 0.9900 C2 C3 1.516(3) C3 H3A 0.9900 C3 H3B 0.9900 C3 C4 1.539(3) C4 C5 1.555(3) C4 C18 1.541(3) C4 C19 1.535(3) C5 H5 1.0000 C5 C6 1.533(2) C5 C10 1.559(2) C6 H6A 0.9900 C6 H6B 0.9900 C6 C7 1.527(2) C7 H7A 0.9900 C7 H7B 0.9900 C7 C8 1.524(2) C8 C9 1.547(2) C8 C17 1.536(2) C9 H9 1.0000 C9 C10 1.562(2) C9 C11 1.538(2) C10 C20 1.541(2) C11 H11A 0.9900 C11 H11B 0.9900 C11 C12 1.504(2) C12 C13 1.454(2) C12 C16 1.348(2) C13 C14 1.446(2) C14 H14 0.9500 C14 C15 1.332(3) C15 H15 0.9500 C16 C17 1.486(2) C17 H17A 0.9900 C17 H17B 0.9900 C18 H18A 0.9800 C18 H18B 0.9800 C18 H18C 0.9800 C19 H19A 0.9800 C19 H19B 0.9800 C19 H19C 0.9800 C20 H20A 0.9800 C20 H20B 0.9800 C20 H20C 0.9800 loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag O1 H1 O3 0.84 2.03 2.8467(17) 163.9 3 yes