#------------------------------------------------------------------------------ #$Date: 2024-09-07 08:28:40 +0300 (Sat, 07 Sep 2024) $ #$Revision: 294673 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/32/2023228.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2023228 loop_ _publ_author_name 'Loukopoulos, Edward' 'Papatriantafyllopoulou, Constantina' 'Moushi, Eleni' 'Kitos, Alexandros A.' 'Tasiopoulos, Anastasios J.' 'Perlepes, Spyros P.' 'Nastopoulos, Vassilios' _publ_section_title ; Solvatomorphism in a series of copper(II) complexes with the 5-phenylimidazole/perchlorate system as ligands. ; _journal_issue 'Pt 4' _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_page_first 347 _journal_page_last 359 _journal_paper_doi 10.1107/S2052520624005948 _journal_volume 80 _journal_year 2024 _chemical_formula_moiety 'C36 H32 Cl2 Cu N8 O8, 2(C3 H7 N O)' _chemical_formula_sum 'C42 H46 Cl2 Cu N10 O10' _chemical_formula_weight 985.33 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 91.493(4) _cell_angle_beta 107.948(5) _cell_angle_gamma 109.075(5) _cell_formula_units_Z 1 _cell_length_a 9.1544(4) _cell_length_b 9.8343(5) _cell_length_c 14.2557(8) _cell_measurement_reflns_used 4143 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 28.9180 _cell_measurement_theta_min 4.3940 _cell_volume 1142.38(11) _computing_cell_refinement 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_molecular_graphics 'PLATON v.270519 (Spek, 2009); MERCURY v.2020.3.0 (Macrae et al., 2020)' _computing_publication_material 'WINGX v.2018.3 (Farrugia, 2012); OLEX2 v.1.3.0 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT-2018/2 (Sheldrick, 2015); SIR92 (Altomare et al., 1994)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 10.4223 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.985 _diffrn_measurement_device_type 'Oxford Diffraction SuperNova with Atlas CCD detector' _diffrn_measurement_method '\w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0223 _diffrn_reflns_av_unetI/netI 0.0321 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.985 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 8820 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.985 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.991 _diffrn_reflns_theta_min 3.034 _diffrn_source 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.663 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.757 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour purple _exptl_crystal_density_diffrn 1.432 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 511 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _refine_diff_density_max 0.606 _refine_diff_density_min -0.457 _refine_diff_density_rms 0.061 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.056 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 303 _refine_ls_number_reflns 4905 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.056 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0369 _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^)+(0.0358P)^2^+1.1070P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0895 _refine_ls_wR_factor_ref 0.0947 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4337 _reflns_number_total 4905 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file aw5090sup1.cif _cod_data_source_block 7 _cod_depositor_comments 'Adding full bibliography for 2023223--2023233.cif.' _cod_database_code 2023228 _cod_database_fobs_code 2023228 _shelx_shelxl_version_number 2014/7 _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_min 0.852 _shelx_estimated_absorpt_t_max 0.907 _shelx_res_file ; 7.res created by SHELXL-2014/7 TITL EL105B in P-1 CELL 0.71073 9.1544 9.8343 14.2557 91.493 107.948 109.075 ZERR 1 0.0004 0.0005 0.0008 0.004 0.005 0.005 LATT 1 SFAC C H N O CU CL UNIT 42 46 10 10 1 2 MERG 2 OMIT -2 54 MORE -3 FMAP 2 PLAN 10 SIZE 0.25 0.15 0.15 TEMP -173 ACTA BOND $H LIST 4 L.S. 6 WGHT 0.035800 1.107000 FVAR 4.32088 CU 5 0.500000 0.500000 0.500000 10.50000 0.01511 0.01507 = 0.01618 -0.00271 0.00430 0.00399 DFIX 0.86 0.01 N1A H1A N1B H1B N1B 3 0.609867 0.416666 0.248230 11.00000 0.02106 0.02419 = 0.01992 0.00021 0.00835 0.01097 H1B 2 0.670249 0.397107 0.218707 11.00000 -1.50000 C2B 1 0.647949 0.445522 0.347023 11.00000 0.01879 0.02043 = 0.02082 -0.00063 0.00476 0.00758 AFIX 43 H2B 2 0.749597 0.451927 0.394793 11.00000 -1.20000 AFIX 0 N3B 3 0.524687 0.463865 0.368929 11.00000 0.01565 0.01662 = 0.01803 -0.00232 0.00416 0.00408 C4B 1 0.402339 0.446204 0.278995 11.00000 0.01718 0.01780 = 0.02016 -0.00076 0.00507 0.00547 AFIX 43 H4B 2 0.298302 0.453236 0.271215 11.00000 -1.20000 AFIX 0 C5B 1 0.453511 0.417134 0.203039 11.00000 0.02011 0.01703 = 0.02065 0.00073 0.00640 0.00669 C6B 1 0.366813 0.389239 0.095118 11.00000 0.02263 0.02241 = 0.01951 0.00205 0.00730 0.00550 C7B 1 0.409064 0.312688 0.030851 11.00000 0.02853 0.03413 = 0.02174 -0.00074 0.00778 0.01151 AFIX 43 H7B 2 0.499110 0.280508 0.056010 11.00000 -1.20000 AFIX 0 C8B 1 0.319208 0.283174 -0.070547 11.00000 0.03778 0.04394 = 0.02216 -0.00260 0.00958 0.01323 AFIX 43 H8B 2 0.348057 0.230089 -0.114123 11.00000 -1.20000 AFIX 0 C9B 1 0.189010 0.329951 -0.108506 11.00000 0.03564 0.04207 = 0.01764 0.00272 0.00210 0.00753 AFIX 43 H9B 2 0.127641 0.308398 -0.177666 11.00000 -1.20000 AFIX 0 C10B 1 0.148537 0.408480 -0.045065 11.00000 0.03069 0.03959 = 0.02755 0.00885 0.00362 0.01422 AFIX 43 H10B 2 0.060115 0.442488 -0.070947 11.00000 -1.20000 AFIX 0 C11B 1 0.236204 0.437960 0.056162 11.00000 0.03040 0.03216 = 0.02456 0.00376 0.00807 0.01407 AFIX 43 H11B 2 0.207154 0.491660 0.099251 11.00000 -1.20000 AFIX 0 N1A 3 0.817299 0.924751 0.579261 11.00000 0.01987 0.01453 = 0.02283 -0.00130 0.00584 0.00732 H1A 2 0.831212 1.014222 0.591068 11.00000 -1.50000 C2A 1 0.669922 0.818380 0.546044 11.00000 0.01828 0.01900 = 0.02058 -0.00096 0.00528 0.00569 AFIX 43 H2A 2 0.568147 0.832885 0.532260 11.00000 -1.20000 AFIX 0 N3A 3 0.685557 0.690917 0.535126 11.00000 0.01881 0.01702 = 0.01731 -0.00130 0.00563 0.00627 C4A 1 0.851583 0.717926 0.561830 11.00000 0.01911 0.01744 = 0.01887 0.00032 0.00672 0.00715 AFIX 43 H4A 2 0.899727 0.645972 0.560789 11.00000 -1.20000 AFIX 0 C5A 1 0.936578 0.863415 0.589997 11.00000 0.01992 0.01829 = 0.01832 0.00256 0.00706 0.00826 C6A 1 1.112761 0.946962 0.626943 11.00000 0.02054 0.01906 = 0.01671 0.00249 0.00705 0.00456 C7A 1 1.173760 1.096971 0.655974 11.00000 0.02488 0.02012 = 0.02017 0.00107 0.00858 0.00519 AFIX 43 H7A 2 1.100044 1.147733 0.651091 11.00000 -1.20000 AFIX 0 C8A 1 1.341995 1.172402 0.692013 11.00000 0.02760 0.02152 = 0.02433 0.00065 0.00942 -0.00128 AFIX 43 H8A 2 1.382324 1.274644 0.711092 11.00000 -1.20000 AFIX 0 C9A 1 1.451292 1.100438 0.700420 11.00000 0.01930 0.03740 = 0.03052 0.00482 0.00956 0.00082 AFIX 43 H9A 2 1.566125 1.152584 0.725754 11.00000 -1.20000 AFIX 0 C10A 1 1.391682 0.951120 0.671479 11.00000 0.02224 0.03561 = 0.04155 0.00750 0.01297 0.01086 AFIX 43 H10A 2 1.465986 0.900848 0.676888 11.00000 -1.20000 AFIX 0 C11A 1 1.223696 0.875153 0.634653 11.00000 0.02329 0.02191 = 0.03565 0.00237 0.01087 0.00809 AFIX 43 H11A 2 1.183926 0.773189 0.614500 11.00000 -1.20000 AFIX 0 CL 6 0.842437 0.345898 0.629425 11.00000 0.01700 0.02011 = 0.02511 -0.00206 0.00321 0.00840 O1 4 0.691527 0.357839 0.569062 11.00000 0.02522 0.03424 = 0.03233 -0.00390 -0.00210 0.01627 O2 4 0.898712 0.434956 0.722868 11.00000 0.06648 0.05958 = 0.03367 -0.02266 -0.01802 0.04434 O3 4 0.959704 0.392714 0.579473 11.00000 0.03747 0.05323 = 0.10276 0.00347 0.04757 0.00465 O4 4 0.818543 0.198235 0.645190 11.00000 0.06436 0.02521 = 0.05378 0.00933 0.02755 0.02714 N2 3 0.893933 0.161951 0.099450 11.00000 0.03144 0.03358 = 0.04036 -0.00062 0.01407 0.01517 C12 1 0.875557 0.247821 0.164068 11.00000 0.02609 0.02569 = 0.02540 0.00364 0.01064 0.01027 AFIX 43 H12 2 0.955293 0.274215 0.228912 11.00000 -1.20000 AFIX 0 C13 1 0.779991 0.122018 -0.003174 11.00000 0.05436 0.05343 = 0.04437 -0.01184 0.01667 0.02090 AFIX 137 H13A 2 0.699551 0.170475 -0.012058 11.00000 -1.50000 H13B 2 0.723013 0.016472 -0.016948 11.00000 -1.50000 H13C 2 0.841154 0.152383 -0.049194 11.00000 -1.50000 AFIX 0 C14 1 1.025239 0.102608 0.127962 11.00000 0.03544 0.03148 = 0.07185 0.00282 0.02478 0.01616 AFIX 137 H14A 2 1.097290 0.144875 0.196292 11.00000 -1.50000 H14B 2 1.088802 0.126174 0.082669 11.00000 -1.50000 H14C 2 0.977995 -0.003163 0.124114 11.00000 -1.50000 AFIX 0 O5 4 0.763915 0.296438 0.147320 11.00000 0.03656 0.04259 = 0.03385 0.00316 0.01495 0.02312 HKLF 4 REM EL105B in P-1 REM R1 = 0.0369 for 4337 Fo > 4sig(Fo) and 0.0434 for all 4905 data REM 303 parameters refined using 2 restraints END WGHT 0.0352 1.1373 REM Highest difference peak 0.606, deepest hole -0.457, 1-sigma level 0.061 Q1 1 0.7303 0.1660 0.5924 11.00000 0.05 0.61 Q2 1 0.8417 0.3543 0.7370 11.00000 0.05 0.51 Q3 1 0.6497 0.0614 -0.0281 11.00000 0.05 0.44 Q4 1 0.5000 0.5562 0.4403 11.00000 0.05 0.38 Q5 1 0.4632 0.5122 0.4238 11.00000 0.05 0.36 Q6 1 0.8823 0.8925 0.5815 11.00000 0.05 0.34 Q7 1 0.9731 0.3672 0.6368 11.00000 0.05 0.34 Q8 1 0.6194 0.6206 0.5151 11.00000 0.05 0.34 Q9 1 0.3990 0.3848 0.1541 11.00000 0.05 0.33 Q10 1 0.4475 0.4432 0.3323 11.00000 0.05 0.32 ; _shelx_res_checksum 8691 _shelx_hkl_file ; 0 0 -2 40200.3 588.597 4 0 0 -3 53830.6 784.589 4 0 0 -3 51911.0 793.724 5 0 0 4 54959.6 845.482 4 0 0 -4 55067.1 851.852 5 0 0 -4 55169.7 836.765 4 0 0 -5 3561.83 126.170 4 0 0 5 3576.79 131.192 4 0 0 -5 3635.76 135.411 5 0 0 6 321.435 49.2064 5 0 0 -6 351.397 48.4737 4 0 0 6 264.546 42.5893 4 0 0 -6 380.183 57.3555 5 0 0 7 7627.63 236.720 4 0 0 -7 7008.23 220.123 4 0 0 -7 7685.21 239.894 5 0 0 7 7954.57 250.872 5 0 0 -8 10962.5 314.171 5 0 0 -8 10520.4 294.734 4 0 0 8 11176.1 314.403 4 0 0 -9 4847.15 210.744 5 0 0 9 4638.78 203.354 4 0 0 10 426.942 65.9295 4 0 0 -10 599.762 84.7016 5 0 0 -11 2987.84 185.445 5 0 0 -12 426.861 82.9321 5 0 0 -13 3585.20 223.136 5 0 0 -14 7827.49 352.006 5 0 0 -15 9323.61 403.827 5 0 0 -16 1933.46 189.662 5 0 0 -17 904.332 135.773 5 0 1 -17 87.3855 60.0513 5 0 1 -16 130.140 61.5501 5 0 1 -15 5077.06 289.900 5 0 1 -14 3476.91 227.101 5 0 1 -13 13146.3 443.489 5 0 1 -12 252.129 55.9837 4 0 1 -12 177.958 55.8194 5 0 1 -11 343.317 61.2771 4 0 1 -11 305.672 64.6207 5 0 -1 10 809.974 92.9562 4 0 1 -10 700.496 78.5679 4 0 1 -10 826.460 89.4458 5 0 -1 9 33294.8 703.747 4 0 1 -9 32625.6 651.274 4 0 1 -9 34263.6 687.961 5 0 -1 8 8901.00 287.793 4 0 1 -8 8417.54 271.351 5 0 1 -8 8725.60 263.445 4 0 1 -7 36677.6 666.825 4 0 1 -7 35883.9 678.037 5 0 -1 7 38552.1 708.221 4 0 -1 7 36614.6 697.466 5 0 -1 6 2277.86 120.765 4 0 1 -6 2339.57 113.471 4 0 1 -6 2182.48 116.289 5 0 -1 6 2071.89 114.174 5 0 1 -5 27186.3 501.360 5 0 -1 5 27290.3 514.966 4 0 1 -5 28020.4 499.196 4 0 -1 4 191528. 2700.34 4 0 1 -4 192806. 2679.04 4 0 1 -4 190808. 2684.15 5 0 1 -3 48644.8 751.146 5 0 1 -3 49742.9 758.436 4 0 1 -2 21210.4 362.622 4 0 -1 -2 93717.2 1340.75 5 0 -1 -3 7919.79 194.398 5 0 -1 -4 1161.73 73.8562 5 0 1 4 1250.55 74.0950 4 0 -1 -5 45.9181 28.6338 5 0 1 5 43.9580 25.1169 4 0 -1 -6 19874.8 438.818 5 0 1 6 20980.3 438.644 4 0 1 6 22540.7 469.265 5 0 1 7 8329.12 254.701 4 0 -1 -7 7712.12 250.294 5 0 -1 -8 10754.2 322.416 5 0 1 8 11241.4 320.372 4 0 1 9 13553.3 381.249 4 0 -1 -9 13402.3 384.391 5 0 -1 -10 1280.01 115.371 5 0 -1 -11 424.554 74.6160 5 0 -1 -12 313.081 68.1182 5 0 -1 -13 645.179 99.1385 5 0 -1 -14 2133.62 184.349 5 0 -1 -15 1751.42 174.233 5 0 -1 -16 3793.47 267.547 5 0 -1 -17 7762.35 398.428 5 0 2 -17-72.0462 56.4218 5 0 2 -16-4.41703 45.0427 5 0 2 -15 1452.67 154.469 5 0 2 -14 6060.99 274.446 4 0 2 -14 5727.59 295.194 5 0 2 -13 17679.3 528.660 5 0 2 -13 17487.8 489.637 4 0 2 -12 7865.71 321.003 5 0 2 -12 7907.78 299.819 4 0 2 -11 4031.81 214.045 5 0 2 -11 4199.60 207.443 4 0 2 -10 5934.18 239.063 4 0 2 -10 5728.61 244.626 5 0 -2 9 14458.7 432.362 4 0 2 -9 14939.5 401.775 5 0 2 -9 14746.6 393.615 4 0 2 -8 21567.4 488.824 4 0 2 -8 22117.7 495.160 5 0 -2 8 22742.1 542.787 4 0 2 -7 69201.2 1127.24 5 0 -2 7 68532.9 1176.84 4 0 2 -7 67820.8 1121.29 4 0 -2 6 4215.66 184.411 4 0 -2 6 4235.22 174.028 5 0 2 -6 3874.67 160.828 5 0 2 -6 3965.99 162.927 4 0 -2 5 9254.99 277.057 4 0 2 -5 9583.19 249.755 5 0 2 -5 9164.76 253.408 4 0 2 -4 118.600 30.9140 5 0 2 -4 110.189 34.8699 4 0 2 -3 190711. 2703.87 4 0 2 -2 45242.6 656.609 3 0 2 -2 47355.6 756.132 4 0 2 -1 15367.2 332.955 4 0 -2 1 15398.5 250.116 3 0 -2 0 5273.98 123.354 3 0 -2 -1 37603.1 613.874 5 0 -2 -2 8802.92 218.105 5 0 -2 -3 55820.5 894.901 5 0 -2 -4 87815.1 1350.59 5 0 -2 -5 6118.39 210.160 5 0 2 6 504.249 60.9195 4 0 -2 -6 428.818 57.6409 5 0 -2 -7 803.672 81.4412 5 0 2 7 720.599 77.4942 4 0 -2 -8 3096.56 169.303 5 0 2 8 3412.74 173.116 4 0 -2 -9 5865.59 251.337 5 0 -2 -10 12607.3 402.195 5 0 -2 -11 6154.49 282.679 5 0 -2 -12 602.532 100.413 5 0 -2 -13 3592.39 234.244 5 0 -2 -14 1788.20 178.444 5 0 -2 -15 90.6277 56.1038 5 0 -2 -16 3580.29 267.404 5 0 3 -17 444.054 96.5897 5 0 3 -16-95.9209 61.2993 5 0 3 -15 21.9795 51.9994 5 0 3 -14 6336.15 290.522 4 0 3 -14 5863.82 303.039 5 0 3 -13 4502.74 236.768 4 0 3 -13 4209.48 245.096 5 0 3 -12 6355.41 288.593 5 0 3 -12 6014.60 268.158 4 0 3 -11 3957.63 213.291 5 0 3 -11 3923.76 208.461 4 0 3 -10 11995.6 373.305 5 0 3 -10 12095.4 373.948 4 0 3 -9 1923.81 135.409 5 0 3 -9 1799.37 130.578 4 0 -3 8 23901.4 609.716 4 0 3 -8 24127.9 541.353 4 0 3 -8 24476.5 541.948 5 0 -3 7 1554.53 129.009 4 0 3 -7 1383.44 109.509 4 0 3 -7 1640.42 111.955 5 0 3 -6 504.471 69.6678 4 0 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103.017 5 0 4 -12 980.064 115.318 4 0 4 -11 5077.25 247.248 5 0 4 -11 5081.49 247.605 4 0 4 -10 6649.45 275.755 5 0 4 -10 6710.33 278.558 4 0 4 -9 8431.27 303.228 5 0 4 -9 8880.84 318.786 4 0 4 -8 15402.7 416.670 5 0 4 -8 15140.5 428.798 4 0 4 -7 773.006 82.7225 5 0 4 -7 664.369 84.6401 4 0 4 -6 6545.10 259.989 4 0 4 -6 6527.16 186.869 3 0 4 -6 6673.42 239.363 5 0 -4 5 16632.8 477.309 4 0 4 -5 14573.3 295.719 3 0 4 -5 15413.4 417.208 4 0 4 -4 11325.4 347.918 4 0 4 -4 11177.4 221.492 3 0 4 -3 28994.8 466.181 3 0 -4 3 29302.8 470.174 3 0 4 -3 29679.5 636.053 4 0 4 -2 155.531 61.2675 4 0 -4 2 91.2939 21.3545 3 0 -4 1 4165.00 130.440 3 0 4 -1 4131.45 204.959 4 0 -4 0 33908.2 579.044 3 0 4 0 32769.4 709.693 4 0 4 1 702.482 39.2688 2 0 -4 -1 1041.86 73.5248 3 0 -4 -2 5128.79 199.706 5 0 -4 -3 31110.4 630.654 5 0 -4 -4 32450.2 666.312 5 0 -4 -5 19309.1 484.650 5 0 -4 -6 48624.1 937.171 5 0 -4 -7 23955.3 589.379 5 0 -4 -8 3439.69 203.371 5 0 -4 -9 8690.36 344.802 5 0 -4 -10 2087.02 172.548 5 0 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2150.45 217.083 4 -3 9 5 2016.16 210.605 4 -3 9 4 18580.1 638.989 4 -3 9 3 10077.8 452.274 4 -3 9 2 2980.57 236.696 4 -3 9 1 575.920 112.011 4 3 -9 -1 572.556 60.1197 3 -3 9 0 86.5567 61.3916 4 3 -9 0 263.717 36.9285 3 -3 9 -1 11471.7 469.289 4 -3 9 -2 8559.32 401.089 4 -3 9 -3 7383.72 370.210 4 -3 9 -4 5704.60 327.344 4 -3 9 -5 1366.15 163.637 4 -3 9 -6 306.047 94.6067 4 -3 9 -7 145.841 69.5721 4 -3 9 -8 1059.10 152.600 4 -3 9 -8 1091.51 129.518 5 -3 9 -9 3625.65 274.077 4 -3 9 -9 3524.33 234.730 5 -3 9 -10 1579.19 181.173 4 -3 9 -10 1254.88 141.029 5 -3 9 -11 4147.88 261.120 5 -3 9 -11 4242.18 305.345 4 -3 9 -12 1595.77 165.209 5 -3 9 -12 1512.59 187.250 4 -3 9 -13 2702.55 218.459 5 -3 9 -13 2822.30 260.255 4 3 -8 -12 1538.44 181.475 5 3 -8 -11 283.838 84.4380 5 -3 8 10 2474.42 234.354 4 3 -8 -10 2409.08 211.291 5 3 -8 -9 3800.50 262.423 5 -3 8 9 3885.14 290.071 4 3 -8 -8 17744.6 580.835 5 -3 8 8 17018.9 619.024 4 -3 8 7 36.3981 59.5660 4 3 -8 -7 2.04385 55.3140 5 3 -8 -6 8.89472 60.0115 5 -3 8 6 41.1027 51.3782 4 -3 8 5 434.698 97.1460 4 3 -8 -5 502.331 90.4245 5 -3 8 4 8056.48 374.467 4 3 -8 -4 8133.59 339.847 5 3 -8 -3 15651.2 433.392 1 -3 8 3 16626.0 551.014 4 3 -8 -2 16796.5 487.475 1 -3 8 2 17768.9 568.750 4 3 -8 -1 20980.9 592.309 1 -3 8 1 21405.7 633.067 4 -3 8 0 3118.16 230.052 4 -3 8 -1-61.1103 61.3902 4 3 -8 1 35.0044 13.2266 3 3 -8 1 53.9083 13.2574 3 -3 8 -2 3137.99 221.711 4 -3 8 -3 2320.29 192.077 4 -3 8 -4 24220.6 691.598 4 -3 8 -5 33081.6 843.713 4 -3 8 -6 19514.1 614.715 4 -3 8 -7 4509.13 240.855 5 -3 8 -7 4639.63 288.171 4 -3 8 -8 1474.86 138.487 5 -3 8 -8 1270.49 152.962 4 -3 8 -9 31.3930 45.1756 5 -3 8 -9-3.34210 48.7754 4 -3 8 -10 394.653 80.8027 5 -3 8 -10 357.343 97.7313 4 -3 8 -11 32.6639 53.3864 4 -3 8 -11 105.800 51.3557 5 -3 8 -12 1045.98 151.990 4 -3 8 -12 1027.00 126.408 5 -3 8 -13 555.482 119.037 4 -3 8 -13 428.331 84.7251 5 -3 8 -14 163.070 62.5469 5 -3 8 -14 267.256 86.9369 4 3 -7 -14 563.261 118.479 5 3 -7 -13 1466.96 178.306 5 3 -7 -12 1886.59 191.820 5 3 -7 -11 1167.80 150.281 5 -3 7 11 1197.84 155.249 4 3 -7 -10 949.543 132.767 5 -3 7 10 1144.09 151.961 4 -3 7 9 24051.9 718.854 4 3 -7 -9 23972.4 679.395 5 -3 7 8 29179.4 779.446 4 3 -7 -8 29351.7 735.714 5 3 -7 -7 10355.3 390.909 5 -3 7 7 10902.2 433.686 4 3 -7 -7 10051.1 287.827 2 3 -7 -6 2670.18 137.931 2 -3 7 6 2569.80 199.923 4 3 -7 -6 2428.23 179.323 5 -3 7 5 1503.77 153.452 4 3 -7 -5 1484.63 137.552 5 3 -7 -4 3185.58 193.047 5 -3 7 4 3522.77 225.553 4 3 -7 -3 2701.16 172.059 5 3 -7 -3 2674.64 160.997 1 -3 7 3 2359.19 179.584 4 3 -7 -2 2110.13 151.450 1 -3 7 2 2054.04 166.163 4 3 -7 -1 8163.56 333.373 1 -3 7 1 8062.71 338.760 4 -3 7 0 8796.07 356.302 4 3 -7 1 26436.7 433.301 3 -3 7 -1 25652.6 668.840 4 -3 7 -2 155.683 65.7874 4 -3 7 -3 148.702 62.9855 4 -3 7 -4-124.600 80.2575 4 -3 7 -5-76.1046 68.3233 4 -3 7 -6 7505.54 346.795 4 -3 7 -7 3469.28 233.414 4 -3 7 -7 3489.73 195.503 5 -3 7 -8 1225.19 119.926 5 -3 7 -8 1356.67 149.833 4 -3 7 -9 1487.98 134.520 5 -3 7 -9 1462.39 157.966 4 -3 7 -10 519.420 109.227 4 -3 7 -10 511.802 85.0518 5 -3 7 -11 937.480 116.044 5 -3 7 -11 1250.89 160.055 4 -3 7 -12 2721.04 196.992 5 -3 7 -12 2750.96 240.478 4 -3 7 -13 183.723 64.3877 5 -3 7 -13 262.798 76.9314 4 -3 7 -14 1070.19 130.658 5 -3 7 -14 1409.03 178.035 4 -3 7 -15 2303.98 199.739 5 -3 7 -15 2687.92 251.108 4 3 -6 -15 3735.35 277.675 5 3 -6 -14 6294.80 351.750 5 3 -6 -13 4949.07 301.984 5 3 -6 -12 3655.36 248.231 5 3 -6 -11-130.522 74.4588 5 -3 6 11-72.6161 67.6785 4 -3 6 10 22.4946 51.8077 4 3 -6 -10 46.6408 53.7763 5 -3 6 10 79.9912 43.9583 1 3 -6 -9 8593.82 356.616 5 -3 6 9 8707.76 323.292 1 -3 6 9 9110.96 376.902 4 -3 6 8 22260.1 553.278 1 -3 6 8 21279.5 605.492 4 3 -6 -8 20322.7 575.471 5 -3 6 7 19087.1 502.248 1 3 -6 -7 17348.1 508.271 5 -3 6 7 18032.3 536.676 4 3 -6 -6 11980.3 334.308 2 -3 6 6 13285.9 432.311 4 3 -6 -6 12699.6 404.593 5 3 -6 -5 4291.90 183.607 2 -3 6 5 4255.21 228.355 4 3 -6 -5 4115.76 210.365 5 -3 6 4 666.942 98.8045 4 3 -6 -4 670.284 85.7994 5 3 -6 -4 531.505 65.9353 2 3 -6 -3 3612.26 188.745 5 3 -6 -3 2439.97 143.314 2 3 -6 -3 2529.27 154.411 1 -3 6 3 3459.41 205.085 4 3 -6 -2 1243.28 112.088 1 -3 6 2 1233.58 122.722 4 -3 6 1 1420.09 130.336 4 3 -6 -1 1345.22 123.043 1 -3 6 0 19715.2 530.179 4 -3 6 0 20322.3 517.783 2 3 -6 1 5742.65 142.450 3 -3 6 -1 5652.06 262.588 4 -3 6 -2 497.829 83.5871 4 -3 6 -3 2102.29 162.151 4 -3 6 -4 8052.80 325.740 4 -3 6 -5 20.1701 42.7482 4 -3 6 -6 4630.00 207.929 5 -3 6 -6 4015.82 240.193 4 -3 6 -7 3474.42 181.714 5 -3 6 -7 3188.41 101.335 3 -3 6 -7 3692.04 229.085 4 -3 6 -8 56588.4 1151.80 4 -3 6 -8 54067.5 869.968 3 -3 6 -8 57602.7 1037.59 5 -3 6 -9 3868.23 204.377 5 -3 6 -9 3809.98 249.352 4 -3 6 -10 8631.76 325.148 5 -3 6 -10 9055.88 400.912 4 -3 6 -11 363.243 90.2944 4 -3 6 -11 412.353 76.3115 5 -3 6 -12 164.609 69.9132 4 -3 6 -12 128.950 60.1599 5 -3 6 -13 448.654 105.716 4 -3 6 -13 317.958 79.9217 5 -3 6 -14 191.484 66.8965 5 -3 6 -14 249.719 95.4568 4 -3 6 -15 2015.29 184.101 5 -3 6 -15 2252.30 225.851 4 3 -5 -15 8172.39 404.632 5 3 -5 -14 7159.47 366.263 5 3 -5 -13 8810.45 390.587 5 3 -5 -12 4367.85 261.030 5 3 -5 -11 1820.01 164.821 5 -3 5 11 2316.16 174.094 4 3 -5 -10-33.6611 56.9595 5 -3 5 10 15.3506 44.1188 4 3 -5 -9-38.6685 50.5763 5 -3 5 9 19.1785 40.1019 4 3 -5 -8 1145.17 117.422 5 -3 5 8 1094.96 107.968 1 -3 5 8 988.056 107.784 4 3 -5 -7 2927.00 177.902 5 -3 5 7 3365.99 188.348 4 -3 5 7 3085.27 175.726 1 -3 5 6 8702.17 302.571 1 3 -5 -6 8539.41 302.533 5 -3 5 6 8557.31 305.204 4 3 -5 -5 19312.5 478.078 5 -3 5 5 20508.0 509.923 1 -3 5 5 18660.8 481.301 4 -3 5 4 509.638 70.4709 4 3 -5 -4 396.354 55.6939 2 3 -5 -4 517.443 69.6401 5 -3 5 3 3140.17 170.490 4 3 -5 -3 2991.29 152.769 2 3 -5 -3 3310.49 169.475 1 3 -5 -3 3133.76 159.130 5 3 -5 -3 3332.49 195.973 4 3 -5 -2 498.245 78.1136 4 -3 5 2 444.311 69.9392 4 3 -5 -2 483.364 62.2622 5 3 -5 -2 523.420 72.6935 1 -3 5 2 359.259 53.3658 5 3 -5 -2 455.778 62.4188 2 -3 5 1 8310.69 257.517 5 3 -5 -1 8416.69 311.444 1 -3 5 1 7886.52 284.879 4 3 -5 -1 9040.95 339.472 4 -3 5 0 1224.43 91.3474 5 3 -5 0 1070.50 65.7517 3 -3 5 0 1108.42 106.035 4 -3 5 0 1229.20 107.269 2 3 -5 1 19906.9 357.641 3 -3 5 -1 20915.8 516.577 4 -3 5 -1 21137.2 521.309 2 -3 5 -1 20892.9 455.050 5 -3 5 -2 21491.9 529.074 4 3 -5 2 20864.5 342.835 3 -3 5 -3 33902.5 733.126 4 -3 5 -4 10703.9 365.980 4 -3 5 -4 11411.9 222.112 3 -3 5 -5 5399.70 201.270 5 -3 5 -5 5235.10 146.010 3 -3 5 -5 5395.26 252.565 4 -3 5 -6 472.999 84.9556 4 -3 5 -6 620.482 71.2728 5 -3 5 -6 563.475 49.8809 3 -3 5 -7 830.126 81.4681 5 -3 5 -7 481.774 87.2003 4 -3 5 -7 625.356 59.4956 3 -3 5 -8 8078.66 280.204 5 -3 5 -8 8330.01 350.376 4 -3 5 -8 7797.99 243.950 3 -3 5 -9 152.320 66.4845 4 -3 5 -9 256.876 46.9370 3 -3 5 -9 172.281 45.0036 5 -3 5 -10 26272.8 734.337 4 -3 5 -10 27199.0 628.732 5 -3 5 -10 27600.6 598.246 3 -3 5 -11 4835.80 237.221 5 -3 5 -11 4457.88 280.368 4 -3 5 -11 4908.29 222.988 3 -3 5 -12 391.759 91.7047 4 -3 5 -12 213.321 59.2314 5 -3 5 -13 23.7438 41.5482 5 -3 5 -13-0.21200 55.7341 4 -3 5 -14 42.3685 63.4835 4 -3 5 -14 29.3223 43.7306 5 -3 5 -15 1965.01 178.900 5 -3 5 -15 1984.03 204.552 4 3 -4 -16 111.675 57.2688 5 3 -4 -15 2678.54 224.733 5 3 -4 -14 2951.58 228.629 5 3 -4 -13 2536.79 201.209 5 3 -4 -12 4478.42 256.348 5 -3 4 11 1117.23 107.557 4 3 -4 -11 1424.70 140.961 5 -3 4 10 2057.35 112.951 4 3 -4 -10 2482.39 173.368 5 -3 4 10 2720.01 158.542 4 -3 4 9 14.1992 32.5751 4 3 -4 -9-66.8754 46.1610 5 3 -4 -8 2591.18 166.533 5 -3 4 8 2603.50 146.377 4 -3 4 7 5630.96 214.173 4 3 -4 -7 5485.53 233.515 5 -3 4 6 15658.2 419.149 1 -3 4 6 15618.5 383.545 4 3 -4 -6 15738.8 406.284 5 -3 4 5 43571.8 826.066 1 -3 4 5 42998.8 777.838 4 3 -4 -5 42450.2 786.633 5 -3 4 4 1732.03 122.990 1 -3 4 4 1526.52 103.609 4 3 -4 -4 1645.95 105.229 5 -3 4 4 1732.99 110.554 5 -3 4 3 21478.3 452.958 5 -3 4 3 21048.8 517.870 1 3 -4 -3 20595.9 438.789 5 3 -4 -3 20467.4 464.225 2 -3 4 3 20352.9 455.728 4 3 -4 -3 21023.2 500.932 4 -3 4 2 7153.52 240.006 4 3 -4 -2 7764.36 275.219 1 3 -4 -2 7600.97 271.480 4 3 -4 -2 7315.74 246.761 2 3 -4 -2 7165.01 216.552 5 -3 4 2 7486.29 224.836 5 3 -4 -1 25456.9 486.706 5 -3 4 1 24653.8 482.898 5 3 -4 -1 25833.5 550.278 2 3 -4 -1 25304.6 593.634 1 -3 4 1 24909.4 537.917 4 3 -4 -1 25841.1 584.208 4 3 -4 0 347.789 58.4816 2 -3 4 0 369.569 44.1643 5 3 -4 0 434.266 68.3252 4 -3 4 0 425.867 59.8065 2 -3 4 0 361.343 61.9688 4 3 -4 0 377.097 40.0032 3 -3 4 -1 82465.3 1255.10 5 3 -4 1 79378.6 1202.14 3 -3 4 -1 81661.0 1349.43 4 -3 4 -2 19962.3 503.091 2 -3 4 -2 20309.9 362.180 3 -3 4 -2 18492.1 466.900 4 3 -4 2 18550.5 349.179 3 -3 4 -3 45931.6 731.540 3 -3 4 -3 47567.8 886.998 4 -3 4 -4 1507.83 123.785 4 -3 4 -4 1611.80 83.7348 3 -3 4 -4 1613.26 92.4634 5 -3 4 -5 11588.2 293.341 5 -3 4 -5 11025.1 366.657 4 -3 4 -5 11458.4 277.449 3 -3 4 -6 637.442 90.4674 4 -3 4 -6 812.339 72.3729 5 -3 4 -6 743.541 66.8016 3 -3 4 -7-26.5470 51.6840 4 -3 4 -7-18.9988 31.1497 3 -3 4 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105.924 5 -3 3 8 431.731 47.5679 4 3 -3 -8 390.979 60.6116 5 3 -3 -7 9635.15 299.826 5 -3 3 7 10162.7 241.683 4 3 -3 -6 23778.4 507.144 5 -3 3 6 23588.7 438.750 4 -3 3 5 12603.3 324.839 5 -3 3 5 11964.7 272.464 4 3 -3 -5 11723.2 306.511 5 -3 3 4 5102.74 180.282 5 3 -3 -4 4772.76 170.896 5 -3 3 4 4695.44 201.243 1 -3 3 4 4563.61 154.579 4 3 -3 -4 4747.74 172.579 4 -3 3 3 2482.80 113.734 5 -3 3 3 2411.61 144.773 1 -3 3 3 2644.35 118.629 4 3 -3 -3 2617.21 127.548 4 3 -3 -3 2526.92 112.203 5 -3 3 2 42346.4 694.248 5 -3 3 2 41967.8 726.158 4 3 -3 -2 41377.0 686.512 5 3 -3 -2 43166.4 758.950 4 3 -3 -2 42916.4 805.245 1 3 -3 -1 6361.76 191.909 3 3 -3 -1 6830.18 253.803 1 3 -3 -1 6383.83 168.457 5 -3 3 1 6269.29 205.464 4 3 -3 -1 6743.69 228.186 4 3 -3 -1 6741.56 235.589 2 -3 3 1 6192.93 165.578 5 -3 3 0 1523.71 105.777 4 -3 3 0 1411.68 108.972 2 3 -3 0 1524.30 124.376 1 3 -3 0 1468.15 108.344 4 -3 3 0 1356.27 69.3137 5 3 -3 0 1638.57 86.4952 3 -3 3 -1 4090.43 136.183 3 -3 3 -1 3816.75 118.194 5 -3 3 -1 3847.75 169.255 4 3 -3 1 3782.43 130.399 3 -3 3 -1 4321.03 195.194 2 -3 3 -2 20639.9 396.600 3 -3 3 -2 20776.5 475.902 4 -3 3 -2 21472.0 512.830 2 3 -3 2 20051.5 392.566 3 -3 3 -3 70381.6 1244.02 2 -3 3 -3 70239.0 1057.28 5 -3 3 -3 71799.2 1205.65 4 -3 3 -3 71094.2 1096.87 3 -3 3 -4 50968.9 942.067 4 -3 3 -4 50360.6 793.754 5 -3 3 -4 48372.5 827.395 3 -3 3 -5 7201.28 204.204 5 -3 3 -5 7316.15 284.572 4 -3 3 -5 7026.89 224.816 3 -3 3 -6 1851.30 117.432 3 -3 3 -6 1839.26 104.927 5 -3 3 -6 2061.37 154.185 4 -3 3 -7 2309.55 168.830 4 -3 3 -7 2356.10 126.087 5 -3 3 -7 2102.09 134.716 3 -3 3 -8 229.733 51.7579 5 -3 3 -8 291.999 73.4850 4 -3 3 -8 226.113 48.8833 3 -3 3 -9 797.261 87.4087 5 -3 3 -9 893.271 102.172 3 -3 3 -9 923.875 126.090 4 -3 3 -10 7593.31 343.926 4 -3 3 -10 7475.77 279.363 5 -3 3 -10 7352.32 303.010 3 -3 3 -11 6321.20 265.617 5 -3 3 -11 6573.53 330.531 4 -3 3 -11 5940.68 284.236 3 -3 3 -12 5161.13 249.382 5 -3 3 -12 5386.45 309.001 4 -3 3 -12 4876.58 265.728 3 -3 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533.726 5 -5 6 -4 26756.9 523.233 3 -5 6 -4 25690.1 680.882 4 -5 6 -5 4987.81 189.898 5 -5 6 -5 5194.55 187.704 3 -5 6 -5 5012.30 276.445 4 -5 6 -6 6383.43 223.131 5 -5 6 -6 6314.14 220.236 3 -5 6 -6 6151.72 320.753 4 -5 6 -7 457.335 96.5687 4 -5 6 -7 502.008 63.6960 5 -5 6 -7 652.938 71.9875 3 -5 6 -8 897.156 131.522 4 -5 6 -8 735.062 80.5853 5 -5 6 -9 1357.57 112.785 5 -5 6 -9 1241.79 156.933 4 -5 6 -10 3942.45 286.834 4 -5 6 -11 3796.25 290.660 4 -5 6 -12 4504.36 323.837 4 -5 6 -13 994.653 156.739 4 5 -5 -16 158.546 78.0849 5 5 -5 -15-45.6189 50.9425 5 5 -5 -14 3172.29 240.096 5 5 -5 -13 5641.42 311.204 5 5 -5 -12 3479.60 232.576 5 -5 5 11 3213.41 244.387 1 5 -5 -11 2883.90 204.533 5 -5 5 10 2169.56 107.054 4 -5 5 10 2436.24 207.577 1 5 -5 -10 2206.11 172.105 5 -5 5 9 1281.22 88.8435 4 -5 5 9 1385.88 154.151 1 5 -5 -9 1359.76 128.225 5 -5 5 8 2703.91 136.742 4 5 -5 -8 2757.68 174.151 5 -5 5 8 2939.99 215.769 1 -5 5 7 2956.92 211.112 1 -5 5 7 2685.45 142.068 4 5 -5 -7 2478.81 157.762 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357.600 1 8 -6 -10 4605.34 255.253 5 -8 6 9 13.6698 68.2668 1 8 -6 -9 28.4276 43.3842 5 8 -6 -8 310.182 65.1405 5 -8 6 8 155.792 87.4928 1 -8 6 7 6394.30 281.062 4 8 -6 -7 5555.40 361.016 2 8 -6 -7 5808.66 253.909 5 -8 6 7 5942.58 402.226 1 -8 6 6 12231.4 419.416 4 8 -6 -6 11330.4 518.821 2 8 -6 -6 11807.2 357.030 5 -8 6 5 8484.55 350.501 4 8 -6 -5 7863.16 428.592 2 8 -6 -5 8458.35 281.913 5 -8 6 4 26818.7 700.555 4 8 -6 -4 26166.9 818.940 2 -8 6 3 8058.24 356.545 4 8 -6 -3 8170.01 426.442 2 -8 6 2 3872.38 251.170 4 8 -6 -2 3777.14 295.598 2 8 -6 -1 2869.76 253.103 2 -8 6 1 3006.04 224.252 4 8 -6 0 12138.7 525.961 2 -8 6 0 11724.0 465.451 4 -8 6 -1 2220.24 199.808 4 -8 6 -2 1011.13 116.336 3 -8 6 -2 1043.72 140.050 4 -8 6 -3 6640.42 301.566 3 -8 6 -3 5871.95 347.925 4 -8 6 -4 629.097 97.2813 3 -8 6 -4 524.812 101.875 4 -8 6 -5 225.495 77.1152 4 -8 6 -6 1347.66 168.886 4 -8 6 -7 868.864 148.366 4 -8 5 17 1379.87 234.738 1 -8 5 16 1662.48 250.249 1 8 -5 -16 1536.04 179.117 5 8 -5 -15 356.885 89.7653 5 -8 5 15 358.016 110.174 1 -8 5 14 2327.25 276.622 1 8 -5 -14 2234.05 204.330 5 -8 5 13 5152.26 403.570 1 8 -5 -13 5147.81 297.801 5 -8 5 12 2281.32 264.655 1 8 -5 -12 2388.76 195.240 5 -8 5 11 11499.9 583.293 1 8 -5 -11 12234.9 441.883 5 8 -5 -10 396.875 76.0596 5 -8 5 10 304.428 96.7040 1 -8 5 9 4716.26 351.607 1 8 -5 -9 4533.06 234.143 5 -8 5 8 1502.40 115.293 4 -8 5 8 1328.57 196.778 1 8 -5 -8 1372.01 123.279 5 8 -5 -7 99.3335 40.8568 5 -8 5 7 121.978 82.0311 1 -8 5 7 123.253 45.7133 4 -8 5 6 13611.6 425.336 4 8 -5 -6 14049.1 374.707 5 -8 5 6 13787.2 613.188 1 -8 5 5 1965.39 159.588 4 8 -5 -5 1831.31 206.964 2 8 -5 -5 1953.45 115.906 5 -8 5 4 11085.8 406.444 4 8 -5 -4 11150.2 508.426 2 8 -5 -4 10474.4 272.666 5 -8 5 3 11787.7 429.878 4 8 -5 -3 11880.2 518.746 2 -8 5 2 4266.20 255.789 4 8 -5 -2 4484.42 314.021 2 -8 5 1 7334.82 350.268 4 8 -5 -1 7697.42 415.353 2 8 -5 0 3459.67 276.511 2 -8 5 0 3385.30 220.405 3 -8 5 0 3899.86 252.955 4 -8 5 -1 706.507 101.658 3 8 -5 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399.351 1 8 -4 -5 6130.54 199.586 5 -8 4 4 4757.89 248.948 4 8 -4 -4 4516.68 315.385 2 8 -4 -4 4463.66 144.334 5 -8 4 3 24001.2 647.278 4 8 -4 -3 25959.4 806.384 2 -8 4 2 13484.7 472.529 4 8 -4 -2 14144.2 565.507 2 -8 4 1 11482.0 429.363 3 -8 4 1 12175.8 451.515 4 8 -4 -1 13002.5 554.160 2 8 -4 0 7144.00 402.197 2 -8 4 0 6709.42 321.788 3 -8 4 0 6089.96 321.756 4 -8 4 -1 407.993 84.5325 3 8 -4 1 512.596 109.982 2 -8 4 -1 515.306 98.2637 4 -8 4 -2 1548.99 157.244 3 -8 4 -2 1213.31 153.347 4 -8 4 -3 5735.56 307.327 3 -8 4 -3 5418.03 326.745 4 -8 4 -4 3908.31 281.221 4 -8 4 -4 3540.62 243.856 3 -8 4 -5 2792.61 248.787 4 -8 4 -5 2771.09 221.619 3 -8 4 -6 2456.24 239.356 4 -8 4 -6 2270.13 209.568 3 -8 4 -7-65.4045 51.7826 3 -8 4 -7 99.3978 78.6212 4 -8 4 -8 343.436 98.7132 3 -8 4 -8 339.621 112.393 4 8 -3 -16 1552.09 175.253 5 8 -3 -15 3333.72 244.298 5 8 -3 -14-75.9917 61.4054 5 8 -3 -13-33.5318 46.2290 5 -8 3 12 2381.90 266.809 1 8 -3 -12 2298.73 178.399 5 -8 3 11 2319.20 253.069 1 8 -3 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725.953 3 8 -1 1 25024.1 801.964 2 8 -1 2 4077.65 303.038 2 -8 1 -2 4100.44 279.767 3 -8 1 -3 2243.96 209.972 3 -8 1 -4-75.9650 65.0912 3 -8 1 -5 786.183 133.195 3 -8 1 -6-8.89573 49.8674 3 -8 1 -7 1571.35 199.726 3 -8 1 -8 2557.55 251.209 3 8 0 -16-19.2092 56.1581 5 8 0 -15 1898.84 181.434 5 8 0 -14 5260.88 295.133 5 8 0 -13 5941.27 302.781 5 8 0 -12 6375.78 302.641 5 8 0 -11 1.78786 38.4720 5 8 0 -10 461.162 80.5529 5 8 0 -9 1582.85 132.405 5 -8 0 9 1615.36 200.000 1 8 0 -8 14190.8 409.180 5 -8 0 8 14416.4 601.632 1 8 0 -7 14992.0 401.701 5 -8 0 7 13921.1 590.477 1 -8 0 6 11431.5 536.750 1 8 0 -6 11606.8 328.478 5 8 0 -5 23190.3 490.149 5 -8 0 5 23769.8 794.953 1 -8 0 5 22614.5 689.233 3 8 0 -4 2233.47 113.558 5 -8 0 4 2016.14 197.925 3 -8 0 4 2049.81 224.015 1 -8 0 3 1075.18 150.654 3 -8 0 3 1269.10 185.669 1 -8 0 2 5843.67 333.238 3 8 0 -2 6824.73 396.145 2 -8 0 1 8838.58 412.622 3 8 0 -1 8813.51 457.429 2 -8 0 0 1017.15 143.356 3 8 0 0 1031.55 160.393 2 -8 0 -1 3278.83 253.096 3 8 0 1 3540.68 283.377 2 8 0 2 8529.71 442.742 2 -8 0 -2 8010.90 408.663 3 -8 0 -3 7857.44 407.812 3 -8 0 -4 349.446 94.3126 3 -8 0 -5 101.722 72.7138 3 -8 0 -6 358.677 102.255 3 -8 0 -7 381.151 103.299 3 8 1 -16-2.05904 47.5397 5 8 1 -15 111.993 53.9699 5 8 1 -14 697.723 111.868 5 8 1 -13 5593.77 298.717 5 8 1 -12 7347.58 334.070 5 8 1 -11 1942.61 161.747 5 8 1 -10 19.3529 34.2057 5 8 1 -9 211.726 57.6982 5 8 1 -8 1612.75 130.069 5 -8 -1 8 1511.69 194.692 1 8 1 -7 211.451 52.7756 5 -8 -1 7 256.842 99.8237 1 8 1 -6 4734.28 212.310 5 -8 -1 6 4316.91 285.465 3 -8 -1 6 4252.04 321.969 1 8 1 -5 4618.24 199.443 5 -8 -1 5 4107.16 316.315 1 -8 -1 5 3989.09 285.798 3 -8 -1 4 1082.23 154.092 3 8 1 -4 1271.83 100.057 5 -8 -1 4 1187.22 182.766 1 -8 -1 3 2331.59 212.292 3 -8 -1 3 1916.71 225.730 1 -8 -1 2 564.516 94.6222 3 8 1 -2 778.689 141.217 2 -8 -1 2 724.419 144.127 1 -8 -1 1 834.198 130.516 3 8 1 -1 759.480 134.475 2 -8 -1 0 1741.20 187.215 3 8 1 0 1656.54 194.358 2 -8 -1 -1 385.690 99.4047 3 8 1 1 445.771 103.443 2 8 1 2 17099.9 631.068 2 -8 -1 -2 16310.9 614.109 3 -8 -1 -3 1493.18 185.074 3 -8 -1 -4 7336.87 408.915 3 -8 -1 -5 1038.24 161.603 3 -8 -1 -6 93.1440 75.6955 3 8 2 -16 263.946 87.1648 5 8 2 -15-18.2672 43.9149 5 8 2 -14 22.8089 42.4337 5 8 2 -13 1811.44 174.239 5 8 2 -12 207.648 63.7471 5 8 2 -11 194.954 58.1542 5 8 2 -10 325.663 71.4748 5 8 2 -9 132.289 47.2901 5 8 2 -8 1003.95 112.565 5 -8 -2 8 878.491 153.011 1 -8 -2 7 179.447 87.7620 1 8 2 -7 136.220 49.3695 5 8 2 -6 4822.60 232.271 5 -8 -2 6 4219.20 302.896 3 -8 -2 6 4253.01 328.652 1 -8 -2 5 21980.8 797.284 1 8 2 -5 25159.4 584.427 5 -8 -2 5 23086.1 741.661 3 8 2 -4 17452.7 460.937 5 -8 -2 4 17227.0 689.503 1 -8 -2 4 16451.3 610.389 3 -8 -2 3 5732.45 345.567 3 -8 -2 3 6039.57 402.038 1 -8 -2 2 1174.16 167.340 3 8 2 -2 1554.30 193.935 2 -8 -2 2 1370.01 196.836 1 -8 -2 1 4111.36 297.928 3 8 2 -1 3806.15 297.944 2 -8 -2 0 594.091 115.766 3 8 2 0 444.300 107.758 2 -8 -2 -1 44.1903 54.6228 3 8 2 1 228.786 74.8827 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172.511 5 8 4 -12 495.489 99.1999 5 8 4 -11 347.732 90.7389 5 8 4 -10 2739.06 210.321 5 8 4 -9 5142.38 285.567 5 8 4 -8 1827.87 168.157 5 -8 -4 8 1648.73 209.556 1 -8 -4 7 295.058 99.6432 3 -8 -4 7 203.681 86.0766 1 8 4 -7 242.222 70.4179 5 8 4 -6 2380.91 182.410 5 -8 -4 6 2403.02 232.009 3 -8 -4 6 2345.56 249.031 1 -8 -4 5 175.613 89.7935 3 8 4 -5 150.277 58.1767 5 -8 -4 5 239.449 97.3908 1 -8 -4 4 50.9798 55.9931 3 -8 -4 4 246.127 94.4011 1 -8 -4 3 158.211 72.1531 3 -8 -4 3 237.696 102.290 1 -8 -4 2 2037.51 220.948 3 8 4 -2 2320.50 227.662 2 -8 -4 1 8198.24 449.640 3 -8 -4 0 5262.87 361.446 3 -8 -4 -1 4429.92 335.599 3 8 5 -13 1673.60 187.590 5 8 5 -12-67.3715 40.4998 5 8 5 -11 695.968 117.891 5 8 5 -10 344.906 78.8064 5 8 5 -9 2231.64 194.550 5 8 5 -8 2795.52 218.473 5 -8 -5 8 2696.78 273.358 1 8 5 -7 2263.10 193.268 5 -8 -5 7 1930.79 218.601 3 -8 -5 7 1907.99 231.052 1 8 5 -6 1742.84 163.788 5 -8 -5 6 1806.26 214.791 3 -8 -5 6 1930.50 235.325 1 -8 -5 5 580.983 124.241 1 -8 -5 5 566.660 123.210 3 -8 -5 4 331.640 88.2717 3 -8 -5 3 57.1708 59.1876 3 -8 -5 2 1225.29 184.705 3 -8 -5 1 5828.47 386.553 3 8 6 -11 55.3559 50.6897 5 8 6 -10 145.810 66.9108 5 -8 -6 9-176.477 80.6830 1 8 6 -9 0.81206 46.4888 5 8 6 -8-71.3057 74.4016 4 8 6 -8 124.201 48.1246 5 8 6 -7 1620.42 169.020 5 -8 -6 7 1654.98 208.708 3 -8 -6 6 5769.66 380.939 3 -8 -6 5 1093.16 168.076 3 -8 -6 4 9.07447 51.3784 3 -8 -6 3 459.204 114.082 3 -9 11 4 455.652 107.509 4 -9 11 3 333.954 91.8155 4 -9 11 2 1755.84 202.859 4 -9 11 1 658.557 134.762 4 9 -10 -8-64.8157 63.9653 2 9 -10 -7 91.2333 73.4402 2 9 -10 -6 5111.95 362.471 2 -9 10 5 5581.73 345.825 4 -9 10 4 3491.80 273.826 4 -9 10 3 257.979 82.7600 4 -9 10 2 761.137 135.850 4 -9 10 1 92.5537 59.4689 4 -9 10 0 115.607 80.0216 4 -9 10 -1 92.2951 59.2789 4 -9 10 -2 1752.52 212.558 4 9 -9 -12 2124.95 207.834 5 9 -9 -10 3406.41 301.962 2 9 -9 -9 79.4223 66.1707 2 9 -9 -8 576.432 121.277 2 9 -9 -7 3662.06 307.330 2 9 -9 -6 455.421 104.807 2 9 -9 -5 4031.28 325.894 2 -9 9 5 3803.32 271.383 4 9 -9 -4 6229.54 404.172 2 -9 9 4 5869.38 347.107 4 -9 9 3 3812.03 277.278 4 -9 9 2 8864.24 440.134 4 -9 9 1 1812.05 201.029 4 -9 9 0 100.748 72.3613 4 -9 9 -1 40.7199 64.5767 4 -9 9 -2 993.605 155.178 4 -9 9 -3 5211.70 350.675 4 9 -8 -14 245.479 75.3921 5 9 -8 -13 42.3995 53.2783 5 9 -8 -12-15.9137 51.3749 2 9 -8 -12 102.138 53.4583 5 -9 8 12-31.5989 62.2686 1 9 -8 -11 3241.76 299.274 2 9 -8 -11 3205.97 242.573 5 9 -8 -10 2967.89 286.429 2 9 -8 -10 2830.37 216.218 5 9 -8 -9 11221.3 564.087 2 9 -8 -8 1019.11 176.414 2 9 -8 -7 29.3727 56.2106 2 -9 8 6 132.325 61.2182 4 9 -8 -6-85.1350 78.3272 2 -9 8 5 666.022 113.786 4 9 -8 -5 502.885 120.177 2 -9 8 4 304.703 81.1504 4 9 -8 -4 235.673 88.3070 2 9 -8 -3 14504.5 627.428 2 -9 8 3 13293.3 526.877 4 9 -8 -2 17582.8 690.006 2 -9 8 2 16905.1 613.709 4 -9 8 1 7454.07 394.200 4 -9 8 0 118.732 67.5625 4 -9 8 -1 511.589 112.381 4 -9 8 -2 205.455 85.7377 4 -9 8 -3 2528.72 241.501 4 -9 8 -4 5462.36 364.891 4 9 -7 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45.9214 5 -9 6 12-33.8173 65.4587 1 9 -6 -11 203.924 60.4694 5 -9 6 11 166.611 80.5440 1 -9 6 10 4496.79 379.709 1 9 -6 -10 3722.83 225.064 5 -9 6 9 9146.93 544.742 1 9 -6 -9 9430.85 354.489 5 9 -6 -8 6170.16 402.434 2 -9 6 8 5943.16 434.291 1 -9 6 7 4801.24 252.756 4 9 -6 -7 5308.47 370.108 2 -9 6 6 3479.63 224.639 4 9 -6 -6 3852.08 317.125 2 -9 6 5 3887.85 246.024 4 9 -6 -5 3956.62 320.778 2 9 -6 -4 36.7039 65.2354 2 -9 6 4 111.384 46.5391 4 9 -6 -3 3.58019 60.7881 2 -9 6 3 43.2939 48.8987 4 9 -6 -2 132.033 75.6325 2 -9 6 2-55.6844 58.0510 4 9 -6 -1 1185.13 172.980 2 -9 6 1 765.914 122.058 4 9 -6 0 226.058 80.1041 2 -9 6 0 195.252 64.8084 4 -9 6 -1 1596.29 182.789 4 -9 6 -2 1494.75 152.636 3 -9 6 -2 1425.12 173.176 4 -9 6 -3 827.892 117.355 3 -9 6 -3 942.206 143.760 4 -9 6 -4 741.792 140.999 4 -9 6 -5 576.731 130.410 4 9 -5 -16 1090.44 155.603 5 9 -5 -15 176.198 65.2813 5 -9 5 15 245.326 113.304 1 -9 5 14 1667.83 252.346 1 9 -5 -14 1551.19 170.690 5 -9 5 13 2709.68 308.710 1 9 -5 -13 2511.00 211.437 5 9 -5 -12 414.461 85.1027 5 -9 5 12 326.295 120.719 1 -9 5 11 151.112 92.8605 1 9 -5 -11 249.160 65.5662 5 9 -5 -10 191.249 56.2911 5 -9 5 10 290.425 102.355 1 9 -5 -9 25.2705 38.6556 5 -9 5 9-62.3697 83.4911 1 -9 5 8 59.1716 65.1368 1 -9 5 7 13516.8 434.445 4 -9 5 7 12110.7 615.428 1 -9 5 6 2219.14 174.006 4 9 -5 -6 1695.77 211.443 2 9 -5 -5 524.526 122.681 2 -9 5 5 408.236 87.8332 4 -9 5 4 1679.23 163.699 4 9 -5 -4 1952.26 219.843 2 9 -5 -3 210.107 72.1271 2 -9 5 3 359.865 82.0721 4 9 -5 -2 194.789 79.7173 2 -9 5 2 286.619 83.4650 4 9 -5 -1 5.19017 59.2653 2 -9 5 1 154.500 65.1057 4 -9 5 0 1225.51 142.458 3 9 -5 0 1259.68 180.946 2 -9 5 0 974.312 140.681 4 -9 5 -1 8920.46 398.866 3 -9 5 -1 8470.27 419.266 4 -9 5 -2 8716.55 397.869 3 -9 5 -2 7998.80 416.208 4 -9 5 -3 2563.48 214.075 3 -9 5 -3 2486.97 233.360 4 -9 5 -4 632.339 109.502 3 -9 5 -4 512.469 119.704 4 -9 5 -5 107.493 63.6643 3 -9 5 -5 95.7184 77.6269 4 -9 5 -6 796.354 152.278 4 9 -4 -16 125.371 61.4210 5 9 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137.967 4 -9 4 -4 2388.15 239.415 4 -9 4 -4 2078.27 204.802 3 -9 4 -5 461.745 101.871 3 -9 4 -5 487.675 132.011 4 -9 4 -6 153.149 83.1078 3 -9 4 -7 1079.40 156.181 3 9 -3 -16 421.003 96.8558 5 -9 3 15 518.732 149.734 1 9 -3 -15 436.990 99.5133 5 -9 3 14 1618.03 243.986 1 9 -3 -14 1122.88 140.652 5 9 -3 -13-34.3893 45.6451 5 -9 3 13-73.0716 83.0571 1 -9 3 12 3766.65 348.841 1 9 -3 -12 3750.31 233.283 5 -9 3 11 9117.12 531.160 1 9 -3 -11 9221.94 358.433 5 9 -3 -10 130.988 44.5822 5 -9 3 10 193.829 84.2477 1 -9 3 9 6087.68 416.670 1 9 -3 -9 6221.84 260.609 5 -9 3 8 864.209 159.745 1 9 -3 -8 750.712 82.6503 5 -9 3 7 3084.34 293.189 1 -9 3 6 505.442 134.573 1 -9 3 5 9614.80 531.299 1 9 -3 -4 14645.1 622.411 2 -9 3 3 23864.9 725.172 3 9 -3 -3 27226.7 882.223 2 -9 3 2 59.3102 50.5421 3 9 -3 -2 121.329 82.2071 2 -9 3 1 6362.24 350.147 3 9 -3 -1 7300.19 436.089 2 -9 3 0 189.364 76.9724 3 9 -3 0 162.555 85.9122 2 -9 3 -1 51.3392 61.1083 3 9 -3 1 16.5581 59.3719 2 -9 3 -2 5995.96 352.049 3 -9 3 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2 -9 2 -2 3085.77 255.049 3 -9 2 -3 5179.53 335.557 3 -9 2 -4 2755.12 250.863 3 -9 2 -5 3441.88 282.941 3 -9 2 -6-10.4381 61.7789 3 -9 2 -7 1173.89 172.435 3 9 -1 -16 6986.90 372.375 5 9 -1 -15 4708.81 293.961 5 9 -1 -14 36.1744 45.6035 5 9 -1 -13 47.3473 52.6634 5 -9 1 12 182.640 92.9628 1 9 -1 -12 39.0822 41.8735 5 -9 1 11 198.130 100.469 1 9 -1 -11 57.0125 39.9811 5 9 -1 -10 9986.81 356.716 5 -9 1 10 10220.6 545.664 1 9 -1 -9 3153.78 183.258 5 -9 1 9 2923.58 287.911 1 -9 1 8 11181.4 564.371 1 -9 1 7 147.433 90.2573 1 -9 1 6 1178.83 179.340 1 -9 1 5 673.332 130.668 3 -9 1 5 506.979 135.877 1 -9 1 4 8556.21 425.340 3 -9 1 4 8766.20 508.173 1 -9 1 3 7557.79 393.501 3 9 -1 -3 7595.33 448.890 2 -9 1 2 2500.38 230.412 3 9 -1 -2 2622.65 266.383 2 -9 1 1 4124.21 293.388 3 9 -1 -1 4666.25 350.173 2 -9 1 0 2083.80 209.461 3 9 -1 0 1801.01 219.498 2 -9 1 -1 98.4681 69.4499 3 9 -1 1 40.1845 55.3371 2 -9 1 -2 210.482 79.0526 3 9 -1 2 274.424 97.0867 2 -9 1 -3 705.191 130.304 3 -9 1 -4 380.864 102.314 3 -9 1 -5 6566.27 403.943 3 -9 1 -6 1524.73 196.451 3 9 0 -16 149.454 64.3532 5 9 0 -15 311.138 74.7462 5 9 0 -14 555.066 101.581 5 9 0 -13 5545.07 301.624 5 9 0 -12 2881.39 205.550 5 9 0 -11 2552.88 186.805 5 -9 0 11 2410.88 269.163 1 -9 0 10 243.069 94.9252 1 9 0 -10 244.064 62.2297 5 9 0 -9 447.934 76.2878 5 -9 0 9 545.658 135.341 1 -9 0 8 12333.0 595.911 1 -9 0 7 61.4688 63.9807 1 -9 0 6 63.8694 57.6852 1 -9 0 5 47.3133 52.8723 3 -9 0 5 48.0040 58.6466 1 -9 0 4-44.2729 59.2236 3 -9 0 4 30.6624 78.7676 1 -9 0 3 115.620 64.9678 3 9 0 -3 287.283 104.770 2 -9 0 2 10.2377 46.6307 3 9 0 -2-40.2766 63.0790 2 -9 0 1 4821.36 324.677 3 9 0 -1 4686.63 351.323 2 -9 0 0 2445.25 232.889 3 9 0 0 2880.67 277.639 2 9 0 1 7755.78 455.405 2 -9 0 -1 7492.92 416.386 3 9 0 2 3320.99 287.591 2 -9 0 -2 3301.74 275.149 3 -9 0 -3 202.176 78.9075 3 -9 0 -4 181.191 79.0993 3 9 1 -16 1488.91 176.232 5 9 1 -15 3878.99 271.194 5 9 1 -14 940.974 132.972 5 9 1 -13 747.909 112.825 5 9 1 -12 283.263 74.5919 5 -9 -1 11 444.390 128.654 1 9 1 -11 446.572 87.3323 5 -9 -1 10 618.523 144.630 1 9 1 -10 650.779 92.5966 5 9 1 -9 119.409 46.1642 5 -9 -1 9 226.664 103.055 1 -9 -1 8 5315.36 394.466 1 -9 -1 7 1402.12 203.933 1 -9 -1 6 4302.82 350.466 1 -9 -1 6 3943.59 292.997 3 -9 -1 5 6482.54 383.782 3 -9 -1 5 6726.00 448.621 1 -9 -1 4 85.4740 72.9920 3 -9 -1 4-96.2845 84.9359 1 -9 -1 3 135.071 76.3383 3 9 1 -3 115.063 75.8232 2 -9 -1 3 187.342 71.3984 1 -9 -1 2 382.213 100.079 3 9 1 -2 326.329 107.218 2 -9 -1 1 729.501 134.386 3 9 1 -1 866.665 149.357 2 -9 -1 0 8549.92 454.942 3 9 1 0 9352.92 495.318 2 9 1 1 6364.73 402.860 2 -9 -1 -1 6333.49 391.574 3 9 1 2 3045.67 268.880 2 -9 -1 -2 2943.09 267.373 3 -9 -1 -3 718.677 136.569 3 9 2 -15 106.453 55.3983 5 9 2 -14 94.1811 54.5171 5 9 2 -13 1402.46 158.765 5 9 2 -12 772.034 116.164 5 9 2 -11 50.4865 42.5593 5 -9 -2 10 202.109 84.6225 1 9 2 -10 135.215 50.7226 5 -9 -2 9 3808.22 334.185 1 -9 -2 8 5280.16 391.420 1 -9 -2 7 995.131 172.217 1 -9 -2 6 8498.77 504.246 1 -9 -2 6 8928.49 459.836 3 -9 -2 5 9610.92 482.338 3 -9 -2 5 8846.06 521.240 1 -9 -2 4 1442.03 185.749 3 -9 -2 4 1110.77 191.241 1 -9 -2 3 108.558 76.1793 3 9 2 -3-15.8779 58.7067 2 -9 -2 3 147.875 83.9213 1 -9 -2 2 1322.29 187.211 3 9 2 -2 1517.43 202.896 2 -9 -2 1 34.5175 60.8111 3 9 2 -1 55.7568 64.7168 2 -9 -2 0 4097.83 320.367 3 9 2 0 4626.24 340.425 2 9 2 1 4282.44 321.466 2 -9 -2 -1 4248.40 321.907 3 9 3 -14 2689.73 230.252 5 9 3 -13 8929.89 412.326 5 9 3 -12 7478.86 365.120 5 9 3 -11 1030.94 133.139 5 -9 -3 10 54.3767 73.2398 1 -9 -3 9 773.781 159.336 1 -9 -3 8-89.2784 88.7408 1 -9 -3 7 1499.60 196.940 3 -9 -3 7 1518.35 215.486 1 -9 -3 6 6807.16 454.789 1 -9 -3 6 6814.54 413.455 3 -9 -3 5 2716.04 266.253 3 -9 -3 5 2758.85 297.072 1 -9 -3 4 4098.52 321.006 3 -9 -3 4 4011.87 354.952 1 -9 -3 3 76.3376 60.3704 3 9 3 -3 62.4310 67.4033 2 -9 -3 2 116.113 80.7878 3 9 3 -2 174.500 86.7706 2 -9 -3 1 1696.29 210.114 3 9 4 -12 1382.52 160.087 5 -9 -4 10 3184.13 318.125 1 -9 -4 9 577.030 142.178 1 -9 -4 8 85.3741 61.8123 1 -9 -4 7 209.721 94.4976 3 -9 -4 7 288.164 107.136 1 -9 -4 6 1375.47 190.242 3 -9 -4 6 1282.29 203.247 1 -9 -4 5 2770.55 264.721 3 -9 -4 5 2966.95 309.016 1 -9 -4 4 2900.17 275.251 3 -9 -4 4 2768.74 296.996 1 -9 -4 3 175.378 85.1137 3 -9 -5 9 1167.51 193.623 1 -9 -5 8 464.370 123.585 1 -9 -5 7 55.9383 61.8696 1 -10 11 3 886.419 147.094 4 10 -10 -8 4033.65 345.858 2 10 -10 -7 5580.72 407.763 2 10 -10 -6 1390.47 202.547 2 10 -10 -5 716.763 153.308 2 -10 10 4 93.8787 69.1920 4 -10 10 3 119.359 73.8110 4 -10 10 2 663.107 136.861 4 -10 10 1 423.290 111.294 4 10 -9 -10 584.373 128.985 2 10 -9 -9 144.484 75.3204 2 10 -9 -8 407.156 116.445 2 10 -9 -7 6541.80 443.439 2 10 -9 -6 7457.76 474.704 2 10 -9 -5 5969.39 418.693 2 10 -9 -4-29.5493 71.6083 2 -10 9 4 96.9138 56.9005 4 -10 9 3 769.071 132.238 4 -10 9 2 71.3718 66.0742 4 -10 9 1 1634.10 203.449 4 -10 9 0 3637.05 300.650 4 -10 9 -1 1520.85 199.379 4 10 -8 -12 3890.78 352.800 2 10 -8 -11 1861.22 239.847 2 10 -8 -10-116.893 78.4898 2 10 -8 -9 19.5884 73.7373 2 10 -8 -8-16.5375 70.9467 2 10 -8 -7 2366.11 264.834 2 10 -8 -6 5905.09 422.623 2 -10 8 5 7138.83 387.275 4 10 -8 -5 8359.27 501.281 2 10 -8 -4 4009.42 343.662 2 -10 8 4 3294.29 259.949 4 10 -8 -3 3211.80 311.682 2 -10 8 3 3170.14 258.887 4 10 -8 -2 180.504 105.882 2 -10 8 2 106.121 66.8528 4 -10 8 1 54.2938 58.7804 4 -10 8 0 169.382 66.0101 4 -10 8 -1 564.851 122.603 4 -10 8 -2 4711.75 341.013 4 -10 7 13 3034.05 355.778 1 -10 7 12 2703.60 333.297 1 -10 7 11 7598.05 545.197 1 10 -7 -10 1623.74 223.948 2 -10 7 10 1397.49 230.735 1 10 -7 -9 652.962 148.109 2 10 -7 -8 485.771 125.085 2 10 -7 -7 259.669 105.285 2 10 -7 -6 159.733 74.5036 2 -10 7 5 3149.33 242.058 4 10 -7 -5 3376.91 316.260 2 -10 7 4 2316.43 210.772 4 10 -7 -4 3098.16 304.677 2 10 -7 -3 7823.80 483.179 2 -10 7 3 6137.87 358.979 4 10 -7 -2 3478.77 319.473 2 -10 7 2 2703.84 238.870 4 10 -7 -1 134.831 84.3869 2 -10 7 1 1.62981 59.0080 4 -10 7 0 406.095 102.418 4 -10 7 -1 48.9436 63.0204 4 -10 7 -2 1364.07 184.752 4 -10 7 -3 7180.02 430.575 4 -10 6 13 901.162 202.326 1 -10 6 12 3163.18 357.849 1 -10 6 11 489.126 144.790 1 -10 6 10 1703.74 260.152 1 10 -6 -9 297.399 103.158 2 -10 6 9 466.706 126.040 1 10 -6 -8-97.0930 84.7696 2 10 -6 -7 42.7535 64.1936 2 10 -6 -6 346.275 111.523 2 -10 6 6 295.656 77.5928 4 10 -6 -5 236.886 99.5832 2 -10 6 5 320.043 89.2638 4 10 -6 -4 264.538 85.5630 2 -10 6 4 399.732 89.6131 4 -10 6 3 5277.04 326.198 4 10 -6 -3 6378.62 434.000 2 10 -6 -2 10806.1 573.943 2 -10 6 2 9136.30 443.632 4 10 -6 -1 2669.31 279.993 2 -10 6 1 2253.79 219.927 4 10 -6 0 443.776 124.842 2 -10 6 0 711.883 133.734 4 -10 6 -1 1216.08 171.323 4 -10 6 -2-24.1251 48.2772 3 -10 6 -2-59.4563 71.1011 4 -10 6 -3 1329.98 181.804 4 -10 5 13 133.425 96.9863 1 -10 5 12 127.851 105.628 1 -10 5 11 168.663 94.4391 1 -10 5 10 6193.96 470.266 1 -10 5 9 3614.24 355.437 1 -10 5 8 341.428 136.447 1 10 -5 -7 1601.52 218.350 2 -10 5 7 1447.62 217.943 1 10 -5 -6 341.799 110.710 2 10 -5 -5-55.1431 67.5063 2 -10 5 4 3340.70 247.870 4 10 -5 -4 3344.96 308.060 2 -10 5 3 5285.59 323.018 4 10 -5 -3 6049.24 421.475 2 -10 5 2 6881.52 382.999 4 10 -5 -2 7544.82 474.488 2 10 -5 -1 3361.21 320.278 2 -10 5 1 2809.33 248.381 4 10 -5 0 1615.19 217.901 2 -10 5 0 1569.39 176.855 3 -10 5 0 1408.39 177.687 4 -10 5 -1 148.136 65.7331 3 -10 5 -1 608.866 120.323 4 -10 5 -2 565.385 112.234 3 -10 5 -2 743.579 138.797 4 -10 5 -3 618.170 114.647 3 -10 5 -3 405.947 110.236 4 -10 5 -4 624.751 119.278 3 -10 4 13 154.588 102.542 1 -10 4 12-3.92378 69.0950 1 -10 4 11 265.940 109.062 1 -10 4 10 5752.96 442.326 1 -10 4 9 9219.82 560.399 1 -10 4 8 4004.99 366.074 1 -10 4 7 15172.1 723.048 1 10 -4 -6 415.452 119.587 2 -10 4 6 549.939 136.678 1 10 -4 -5 74.9711 59.8006 2 10 -4 -4 596.839 137.283 2 10 -4 -3 134.322 75.8531 2 -10 4 2 2113.15 207.216 3 10 -4 -2 3040.50 301.619 2 -10 4 1 3297.68 260.894 3 10 -4 -1 3899.77 340.795 2 10 -4 0 2533.74 275.886 2 -10 4 0 2268.34 219.664 3 -10 4 -1 408.577 101.164 3 10 -4 1 472.816 128.336 2 -10 4 -2 126.554 68.3155 3 -10 4 -3 70.7664 59.7808 3 -10 4 -4 155.985 81.9631 3 -10 4 -5 1526.45 192.108 3 -10 4 -6 2679.93 257.925 3 -10 3 13 7967.55 546.888 1 -10 3 12 868.518 184.017 1 -10 3 11 2.57174 74.1402 1 -10 3 10 462.069 134.181 1 -10 3 9 224.424 93.4129 1 -10 3 8 7607.41 500.931 1 -10 3 7 9034.71 542.924 1 -10 3 6 309.827 109.588 1 10 -3 -5 562.243 133.453 2 10 -3 -4 200.529 100.141 2 -10 3 3-62.5614 62.1666 3 10 -3 -3 16.0510 61.0040 2 -10 3 2 479.923 108.195 3 10 -3 -2 674.802 142.804 2 -10 3 1 752.112 126.764 3 10 -3 -1 1049.26 184.110 2 10 -3 0 4245.07 359.877 2 -10 3 0 3989.80 298.789 3 10 -3 1 10253.9 554.898 2 -10 3 -1 9242.21 463.642 3 -10 3 -2 4696.77 332.398 3 -10 3 -3 566.703 121.481 3 -10 3 -4 232.985 82.7374 3 -10 3 -5 8.90916 50.2491 3 -10 2 13 1347.88 226.137 1 -10 2 12 897.083 184.725 1 -10 2 11 4518.44 387.985 1 -10 2 10 120.019 91.1842 1 -10 2 9 2720.21 293.979 1 -10 2 8 2493.84 281.440 1 -10 2 7-60.5380 87.5846 1 -10 2 6 9471.05 561.165 1 -10 2 5 10903.9 610.866 1 10 -2 -5 11719.0 595.027 2 -10 2 4 2680.61 243.320 3 10 -2 -4 2790.18 284.905 2 -10 2 3 4473.02 314.163 3 10 -2 -3 4681.42 376.866 2 -10 2 2 240.201 85.7757 3 10 -2 -2 131.431 70.1078 2 -10 2 1 255.984 84.9401 3 10 -2 -1 485.603 125.724 2 -10 2 0 237.592 84.8222 3 10 -2 0 397.263 117.770 2 10 -2 1 3453.92 321.529 2 -10 2 -1 3223.77 280.349 3 -10 2 -2 941.402 159.892 3 -10 2 -3 4086.31 319.402 3 -10 2 -4 309.888 97.5798 3 -10 1 12 6717.08 483.886 1 -10 1 11 1075.44 194.111 1 -10 1 10 1335.23 216.462 1 -10 1 9 819.092 168.199 1 -10 1 8 1899.67 249.941 1 -10 1 7 278.978 117.570 1 -10 1 6 3415.53 335.498 1 -10 1 5 3112.83 271.276 3 -10 1 5 2820.69 308.454 1 -10 1 4 8134.12 439.879 3 10 -1 -4 8232.92 496.871 2 -10 1 3 2486.44 245.177 3 10 -1 -3 2857.70 295.181 2 -10 1 2 2382.22 237.473 3 10 -1 -2 2143.78 253.340 2 -10 1 1 413.187 116.552 3 10 -1 -1 301.958 98.8949 2 -10 1 0 83.2234 65.0499 3 10 -1 0-46.6411 71.0805 2 10 -1 1 2304.48 263.918 2 -10 1 -1 2312.48 239.991 3 -10 1 -2 3494.05 296.137 3 -10 0 12 3448.34 346.178 1 -10 0 11 587.604 155.940 1 -10 0 10 4272.47 373.891 1 -10 0 9 110.424 78.2410 1 -10 0 8 1100.11 191.883 1 -10 0 7 120.727 91.1910 1 -10 0 6 136.521 90.5368 1 -10 0 5 1139.01 169.770 3 -10 0 5 1137.31 193.495 1 -10 0 4 5653.82 368.610 3 10 0 -4 6012.24 425.593 2 -10 0 3 5058.05 350.743 3 10 0 -3 5537.64 411.129 2 -10 0 2 1418.77 190.078 3 10 0 -2 1521.15 214.164 2 -10 0 1 391.711 107.988 3 10 0 -1 237.821 102.263 2 -10 0 0 288.275 95.9214 3 10 0 0 196.496 88.8022 2 -10 0 -1 81.1537 60.1514 3 10 0 1 2.19870 60.8795 2 -10 -1 11 3048.37 326.639 1 -10 -1 10 1537.85 237.602 1 -10 -1 9 3737.11 352.865 1 -10 -1 8 2419.31 288.683 1 -10 -1 7 393.623 119.271 1 -10 -1 6 532.352 122.873 3 -10 -1 6 553.582 145.941 1 -10 -1 5 2200.58 238.966 3 -10 -1 5 1923.46 259.438 1 -10 -1 4 2705.70 262.092 3 10 1 -4 2617.64 284.772 2 -10 -1 3 474.040 121.747 3 10 1 -3 699.548 149.822 2 -10 -1 2 776.452 140.794 3 10 1 -2 1059.53 181.478 2 -10 -1 1 2962.65 280.732 3 10 1 -1 2644.40 283.510 2 10 1 0 10.1276 54.3461 2 10 1 1 424.418 112.468 2 -10 -2 10 375.919 128.368 1 -10 -2 9 8869.91 550.242 1 -10 -2 8 2643.70 298.327 1 -10 -2 7 694.329 161.082 1 -10 -2 6 238.756 81.8189 3 -10 -2 6 305.748 124.264 1 -10 -2 5 1181.89 214.595 1 -10 -2 5 1274.00 182.538 3 -10 -2 4 2052.88 238.667 3 10 2 -4 1869.36 240.565 2 10 2 -3 87.9480 79.0806 2 10 2 -2 1470.97 209.201 2 10 2 -1 2431.25 266.641 2 -10 -3 9 1644.92 241.649 1 -10 -3 8 1919.05 258.140 1 -10 -3 7 1544.26 236.394 1 -10 -3 6 3934.52 373.382 1 -10 -3 5 1819.79 256.905 1 10 3 -4 111.524 82.1460 2 -11 9 3 683.424 129.995 4 -11 9 2 486.382 117.696 4 11 -8 -6 646.988 156.984 2 -11 8 4 64.5485 66.0235 4 -11 8 3 160.289 83.9961 4 -11 8 2 1035.29 159.957 4 -11 8 1 2425.39 248.042 4 11 -7 -9 38.6214 71.2582 2 11 -7 -8 1405.05 222.850 2 11 -7 -7 1320.83 210.095 2 11 -7 -6 4586.16 386.588 2 11 -7 -5 280.025 111.657 2 -11 7 4 2904.41 256.176 4 11 -7 -4 3399.60 333.506 2 11 -7 -3 140.933 94.0941 2 -11 7 3 57.4319 58.2155 4 -11 7 2 77.4594 68.0677 4 -11 7 1 86.3160 65.3752 4 -11 7 0 59.1500 57.1483 4 -11 6 10 95.8055 83.8888 1 11 -6 -9 536.733 131.602 2 11 -6 -8 231.420 82.1535 2 11 -6 -7 1726.48 244.896 2 11 -6 -6 4238.18 372.241 2 11 -6 -5 3079.58 321.194 2 -11 6 4 2457.26 230.892 4 11 -6 -4 2648.74 296.300 2 11 -6 -3 580.888 145.628 2 -11 6 3 382.799 102.841 4 11 -6 -2 252.288 100.127 2 -11 6 2 280.189 105.099 4 -11 6 1 65.0205 67.7514 4 -11 6 0 1894.76 221.882 4 -11 6 -1 8468.04 481.708 4 -11 5 10 2316.03 305.992 1 -11 5 9 339.855 129.903 1 11 -5 -8 741.235 161.934 2 11 -5 -7-3.86198 72.0337 2 11 -5 -6 864.410 182.494 2 11 -5 -5 2641.29 289.346 2 11 -5 -4 7151.90 481.776 2 11 -5 -3 5803.60 439.266 2 11 -5 -2 1444.77 223.313 2 11 -5 -1 9.78655 60.4106 2 -11 5 0 124.567 68.0980 3 -11 5 -1-28.3922 49.4085 3 -11 5 -2 2883.37 261.322 3 -11 5 -3 3543.09 294.478 3 -11 4 10 2839.94 328.108 1 -11 4 9 1712.45 253.353 1 -11 4 8 175.414 103.181 1 11 -4 -7 340.037 111.303 2 11 -4 -6 506.301 142.472 2 11 -4 -5 2171.37 275.608 2 11 -4 -4 2321.31 275.256 2 11 -4 -3 3665.36 350.455 2 11 -4 -2 589.687 145.718 2 -11 4 1 982.738 157.065 3 11 -4 -1 1387.97 220.269 2 -11 4 0-35.4305 45.9261 3 11 -4 0 67.7075 89.6906 2 -11 4 -1-86.7107 57.0520 3 -11 4 -2 39.6011 51.2764 3 -11 4 -3 617.216 131.308 3 -11 3 10 2213.80 289.600 1 -11 3 9 2493.50 299.773 1 -11 3 8 2343.35 304.310 1 -11 3 7 784.858 179.916 1 11 -3 -7 471.496 139.388 2 11 -3 -6 3.13556 76.7269 2 11 -3 -5 288.338 121.532 2 11 -3 -4 2761.93 306.940 2 11 -3 -3 7248.71 500.024 2 -11 3 2 3099.71 278.384 3 11 -3 -2 3434.24 337.395 2 11 -3 -1 2479.15 291.546 2 -11 3 1 1910.67 219.931 3 -11 3 0 112.012 62.8432 3 11 -3 0 16.9911 65.1801 2 -11 3 -1 47.7702 54.2915 3 -11 2 9 751.695 183.044 1 -11 2 8 8951.09 580.602 1 -11 2 7 5729.92 457.631 1 11 -2 -6 1372.63 219.176 2 -11 2 6 1291.67 228.109 1 11 -2 -5 791.129 175.732 2 -11 2 4-0.55412 60.4675 3 11 -2 -4-34.1458 87.8022 2 -11 2 3-51.5578 56.1952 3 11 -2 -3-10.0355 58.7471 2 -11 2 2 1582.70 204.463 3 11 -2 -2 1667.44 241.578 2 -11 2 1 5840.69 393.399 3 11 -2 -1 6331.95 466.363 2 11 -2 0 2169.19 272.555 2 -11 1 9 265.788 126.771 1 -11 1 8 2740.13 318.598 1 -11 1 7 198.811 105.147 1 11 -1 -6 568.405 148.908 2 -11 1 6 774.915 185.112 1 11 -1 -5 2325.32 278.541 2 -11 1 4 369.847 110.709 3 11 -1 -4 453.706 143.188 2 -11 1 3 392.350 124.393 3 11 -1 -3 142.969 80.4581 2 11 -1 -2 354.280 121.802 2 11 -1 -1 249.962 111.186 2 11 -1 0 1288.20 214.115 2 11 -1 1 2938.97 307.687 2 -11 0 8 130.018 104.009 1 -11 0 7 1613.90 254.831 1 -11 0 6 4557.39 419.693 1 11 0 -5 1282.02 212.476 2 11 0 -4 1189.05 200.347 2 11 0 -3 24.5910 61.8056 2 11 0 -2 108.809 85.1760 2 11 0 -1-41.5614 81.1216 2 11 0 0 2479.16 287.581 2 -11 -1 6 1116.41 212.070 1 11 1 -5 1604.32 239.721 2 11 1 -4 3713.22 359.804 2 11 1 -3 964.993 193.855 2 11 1 -2 1918.05 255.884 2 11 2 -5 3294.55 339.445 2 11 2 -4 4733.30 406.570 2 -12 7 3 2.56346 56.9116 4 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 85134 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 Cu Cu 0.5000 0.5000 0.5000 0.01613(10) Uani 1 2 d S . P . . N1B N 0.6099(2) 0.41667(19) 0.24823(12) 0.0206(3) Uani 1 1 d D . . . . H1B H 0.670(3) 0.397(3) 0.2187(17) 0.031 Uiso 1 1 d D U . . . C2B C 0.6479(2) 0.4455(2) 0.34702(15) 0.0204(4) Uani 1 1 d . . . . . H2B H 0.7496 0.4519 0.3948 0.024 Uiso 1 1 calc R U . . . N3B N 0.52469(19) 0.46387(17) 0.36893(12) 0.0176(3) Uani 1 1 d . . . . . C4B C 0.4023(2) 0.4462(2) 0.27900(14) 0.0189(4) Uani 1 1 d . . . . . H4B H 0.2983 0.4532 0.2712 0.023 Uiso 1 1 calc R U . . . C5B C 0.4535(2) 0.4171(2) 0.20304(15) 0.0194(4) Uani 1 1 d . . . . . C6B C 0.3668(3) 0.3892(2) 0.09512(15) 0.0221(4) Uani 1 1 d . . . . . C7B C 0.4091(3) 0.3127(3) 0.03085(16) 0.0283(5) Uani 1 1 d . . . . . H7B H 0.4991 0.2805 0.0560 0.034 Uiso 1 1 calc R U . . . C8B C 0.3192(3) 0.2832(3) -0.07055(17) 0.0352(5) Uani 1 1 d . . . . . H8B H 0.3481 0.2301 -0.1141 0.042 Uiso 1 1 calc R U . . . C9B C 0.1890(3) 0.3300(3) -0.10851(17) 0.0351(5) Uani 1 1 d . . . . . H9B H 0.1276 0.3084 -0.1777 0.042 Uiso 1 1 calc R U . . . C10B C 0.1485(3) 0.4085(3) -0.04507(17) 0.0336(5) Uani 1 1 d . . . . . H10B H 0.0601 0.4425 -0.0709 0.040 Uiso 1 1 calc R U . . . C11B C 0.2362(3) 0.4380(3) 0.05616(16) 0.0285(5) Uani 1 1 d . . . . . H11B H 0.2072 0.4917 0.0993 0.034 Uiso 1 1 calc R U . . . N1A N 0.8173(2) 0.92475(18) 0.57926(12) 0.0191(3) Uani 1 1 d D . . . . H1A H 0.831(3) 1.0142(13) 0.5911(18) 0.029 Uiso 1 1 d D U . . . C2A C 0.6699(2) 0.8184(2) 0.54604(14) 0.0199(4) Uani 1 1 d . . . . . H2A H 0.5681 0.8329 0.5323 0.024 Uiso 1 1 calc R U . . . N3A N 0.6856(2) 0.69092(17) 0.53513(12) 0.0179(3) Uani 1 1 d . . . . . C4A C 0.8516(2) 0.7179(2) 0.56183(14) 0.0182(4) Uani 1 1 d . . . . . H4A H 0.8997 0.6460 0.5608 0.022 Uiso 1 1 calc R U . . . C5A C 0.9366(2) 0.8634(2) 0.59000(14) 0.0183(4) Uani 1 1 d . . . . . C6A C 1.1128(2) 0.9470(2) 0.62694(14) 0.0192(4) Uani 1 1 d . . . . . C7A C 1.1738(3) 1.0970(2) 0.65597(15) 0.0222(4) Uani 1 1 d . . . . . H7A H 1.1000 1.1477 0.6511 0.027 Uiso 1 1 calc R U . . . C8A C 1.3420(3) 1.1724(2) 0.69201(16) 0.0270(5) Uani 1 1 d . . . . . H8A H 1.3823 1.2746 0.7111 0.032 Uiso 1 1 calc R U . . . C9A C 1.4513(3) 1.1004(3) 0.70042(17) 0.0312(5) Uani 1 1 d . . . . . H9A H 1.5661 1.1526 0.7258 0.037 Uiso 1 1 calc R U . . . C10A C 1.3917(3) 0.9511(3) 0.67148(18) 0.0324(5) Uani 1 1 d . . . . . H10A H 1.4660 0.9008 0.6769 0.039 Uiso 1 1 calc R U . . . C11A C 1.2237(3) 0.8752(2) 0.63465(17) 0.0267(5) Uani 1 1 d . . . . . H11A H 1.1839 0.7732 0.6145 0.032 Uiso 1 1 calc R U . . . Cl Cl 0.84244(6) 0.34590(5) 0.62943(4) 0.02129(12) Uani 1 1 d . . . . . O1 O 0.69153(19) 0.35784(18) 0.56906(12) 0.0321(4) Uani 1 1 d . . . . . O2 O 0.8987(3) 0.4350(2) 0.72287(14) 0.0566(6) Uani 1 1 d . . . . . O3 O 0.9597(2) 0.3927(2) 0.5795(2) 0.0617(6) Uani 1 1 d . . . . . O4 O 0.8185(2) 0.19824(19) 0.64519(14) 0.0428(5) Uani 1 1 d . . . . . N2 N 0.8939(2) 0.1620(2) 0.09945(16) 0.0338(5) Uani 1 1 d . . . . . C12 C 0.8756(3) 0.2478(2) 0.16407(16) 0.0249(4) Uani 1 1 d . . . . . H12 H 0.9553 0.2742 0.2289 0.030 Uiso 1 1 calc R U . . . C13 C 0.7800(4) 0.1220(3) -0.0032(2) 0.0506(7) Uani 1 1 d . . . . . H13A H 0.6996 0.1705 -0.0121 0.076 Uiso 1 1 calc R U . . . H13B H 0.7230 0.0165 -0.0169 0.076 Uiso 1 1 calc R U . . . H13C H 0.8412 0.1524 -0.0492 0.076 Uiso 1 1 calc R U . . . C14 C 1.0252(3) 0.1026(3) 0.1280(2) 0.0435(7) Uani 1 1 d . . . . . H14A H 1.0973 0.1449 0.1963 0.065 Uiso 1 1 calc R U . . . H14B H 1.0888 0.1262 0.0827 0.065 Uiso 1 1 calc R U . . . H14C H 0.9780 -0.0032 0.1241 0.065 Uiso 1 1 calc R U . . . O5 O 0.7639(2) 0.29644(19) 0.14732(12) 0.0345(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 Cu 0.01511(17) 0.01507(17) 0.01618(17) -0.00271(12) 0.00430(12) 0.00399(13) N1B 0.0211(8) 0.0242(9) 0.0199(8) 0.0002(7) 0.0084(7) 0.0110(7) C2B 0.0188(9) 0.0204(10) 0.0208(9) -0.0006(7) 0.0048(8) 0.0076(8) N3B 0.0157(8) 0.0166(8) 0.0180(8) -0.0023(6) 0.0042(6) 0.0041(6) C4B 0.0172(9) 0.0178(9) 0.0202(9) -0.0008(7) 0.0051(7) 0.0055(7) C5B 0.0201(9) 0.0170(9) 0.0206(9) 0.0007(7) 0.0064(8) 0.0067(8) C6B 0.0226(10) 0.0224(10) 0.0195(10) 0.0020(8) 0.0073(8) 0.0055(8) C7B 0.0285(11) 0.0341(12) 0.0217(10) -0.0007(9) 0.0078(9) 0.0115(10) C8B 0.0378(13) 0.0439(15) 0.0222(11) -0.0026(10) 0.0096(10) 0.0132(11) C9B 0.0356(13) 0.0421(14) 0.0176(10) 0.0027(9) 0.0021(9) 0.0075(11) C10B 0.0307(12) 0.0396(14) 0.0276(12) 0.0088(10) 0.0036(9) 0.0142(10) C11B 0.0304(12) 0.0322(12) 0.0246(11) 0.0038(9) 0.0081(9) 0.0141(10) N1A 0.0199(8) 0.0145(8) 0.0228(8) -0.0013(7) 0.0058(7) 0.0073(7) C2A 0.0183(9) 0.0190(10) 0.0206(9) -0.0010(7) 0.0053(8) 0.0057(8) N3A 0.0188(8) 0.0170(8) 0.0173(8) -0.0013(6) 0.0056(6) 0.0063(7) C4A 0.0191(9) 0.0174(9) 0.0189(9) 0.0003(7) 0.0067(7) 0.0072(8) C5A 0.0199(10) 0.0183(10) 0.0183(9) 0.0026(7) 0.0071(7) 0.0083(8) C6A 0.0205(10) 0.0191(10) 0.0167(9) 0.0025(7) 0.0071(7) 0.0046(8) C7A 0.0249(10) 0.0201(10) 0.0202(10) 0.0011(8) 0.0086(8) 0.0052(8) C8A 0.0276(11) 0.0215(11) 0.0243(10) 0.0007(8) 0.0094(9) -0.0013(9) C9A 0.0193(10) 0.0374(13) 0.0305(12) 0.0048(10) 0.0096(9) 0.0008(9) C10A 0.0222(11) 0.0356(13) 0.0415(13) 0.0075(10) 0.0130(10) 0.0109(10) C11A 0.0233(11) 0.0219(11) 0.0357(12) 0.0024(9) 0.0109(9) 0.0081(9) Cl 0.0170(2) 0.0201(2) 0.0251(2) -0.00206(18) 0.00321(18) 0.00840(18) O1 0.0252(8) 0.0342(9) 0.0323(9) -0.0039(7) -0.0021(7) 0.0163(7) O2 0.0665(14) 0.0596(13) 0.0337(10) -0.0227(9) -0.0180(9) 0.0443(11) O3 0.0375(11) 0.0532(13) 0.1028(18) 0.0035(12) 0.0476(12) 0.0046(9) O4 0.0644(13) 0.0252(9) 0.0538(11) 0.0093(8) 0.0276(10) 0.0271(9) N2 0.0314(10) 0.0336(11) 0.0404(11) -0.0006(9) 0.0141(9) 0.0152(9) C12 0.0261(11) 0.0257(11) 0.0254(10) 0.0036(8) 0.0106(9) 0.0103(9) C13 0.0544(18) 0.0534(18) 0.0444(16) -0.0118(13) 0.0167(13) 0.0209(14) C14 0.0354(14) 0.0315(14) 0.0718(19) 0.0028(13) 0.0248(13) 0.0162(11) O5 0.0366(9) 0.0426(10) 0.0338(9) 0.0032(7) 0.0150(7) 0.0231(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 '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 N3B Cu N3B 180.0 2_666 . ? N3B Cu N3A 88.25(7) 2_666 . ? N3B Cu N3A 91.75(7) . . ? N3B Cu N3A 91.74(7) 2_666 2_666 ? N3B Cu N3A 88.26(7) . 2_666 ? N3A Cu N3A 180.0 . 2_666 ? C2B N1B C5B 108.22(16) . . ? C2B N1B H1B 125.7(17) . . ? C5B N1B H1B 126.0(17) . . ? N3B C2B N1B 110.77(17) . . ? N3B C2B H2B 124.6 . . ? N1B C2B H2B 124.6 . . ? C2B N3B C4B 106.01(16) . . ? C2B N3B Cu 130.49(14) . . ? C4B N3B Cu 123.44(13) . . ? C5B C4B N3B 109.64(17) . . ? C5B C4B H4B 125.2 . . ? N3B C4B H4B 125.2 . . ? C4B C5B N1B 105.37(17) . . ? C4B C5B C6B 129.71(18) . . ? N1B C5B C6B 124.91(18) . . ? C7B C6B C11B 119.02(19) . . ? C7B C6B C5B 121.69(19) . . ? C11B C6B C5B 119.27(19) . . ? C6B C7B C8B 119.9(2) . . ? C6B C7B H7B 120.1 . . ? C8B C7B H7B 120.1 . . ? C9B C8B C7B 120.9(2) . . ? C9B C8B H8B 119.6 . . ? C7B C8B H8B 119.6 . . ? C8B C9B C10B 119.4(2) . . ? C8B C9B H9B 120.3 . . ? C10B C9B H9B 120.3 . . ? C9B C10B C11B 120.4(2) . . ? C9B C10B H10B 119.8 . . ? C11B C10B H10B 119.8 . . ? C10B C11B C6B 120.4(2) . . ? C10B C11B H11B 119.8 . . ? C6B C11B H11B 119.8 . . ? C2A N1A C5A 108.48(16) . . ? C2A N1A H1A 123.9(17) . . ? C5A N1A H1A 127.6(17) . . ? N3A C2A N1A 110.71(17) . . ? N3A C2A H2A 124.6 . . ? N1A C2A H2A 124.6 . . ? C2A N3A C4A 106.15(16) . . ? C2A N3A Cu 124.59(14) . . ? C4A N3A Cu 128.99(13) . . ? C5A C4A N3A 109.92(17) . . ? C5A C4A H4A 125.0 . . ? N3A C4A H4A 125.0 . . ? C4A C5A N1A 104.74(17) . . ? C4A C5A C6A 131.54(18) . . ? N1A C5A C6A 123.70(18) . . ? C11A C6A C7A 118.71(19) . . ? C11A C6A C5A 119.43(18) . . ? C7A C6A C5A 121.86(18) . . ? C8A C7A C6A 120.2(2) . . ? C8A C7A H7A 119.9 . . ? C6A C7A H7A 119.9 . . ? C9A C8A C7A 120.8(2) . . ? C9A C8A H8A 119.6 . . ? C7A C8A H8A 119.6 . . ? C8A C9A C10A 119.4(2) . . ? C8A C9A H9A 120.3 . . ? C10A C9A H9A 120.3 . . ? C11A C10A C9A 120.2(2) . . ? C11A C10A H10A 119.9 . . ? C9A C10A H10A 119.9 . . ? C10A C11A C6A 120.7(2) . . ? C10A C11A H11A 119.6 . . ? C6A C11A H11A 119.6 . . ? O2 Cl O3 110.28(15) . . ? O2 Cl O1 108.93(10) . . ? O3 Cl O1 108.75(13) . . ? O2 Cl O4 109.46(12) . . ? O3 Cl O4 109.25(12) . . ? O1 Cl O4 110.16(11) . . ? C12 N2 C14 121.4(2) . . ? C12 N2 C13 120.4(2) . . ? C14 N2 C13 118.3(2) . . ? O5 C12 N2 125.3(2) . . ? O5 C12 H12 117.3 . . ? N2 C12 H12 117.3 . . ? N2 C13 H13A 109.5 . . ? N2 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? N2 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? N2 C14 H14A 109.5 . . ? N2 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? N2 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? 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 Cu N3B 1.9866(16) 2_666 ? Cu N3B 1.9867(16) . ? Cu N3A 2.0009(16) . ? Cu N3A 2.0009(16) 2_666 ? N1B C2B 1.341(3) . ? N1B C5B 1.378(3) . ? N1B H1B 0.853(10) . ? C2B N3B 1.323(3) . ? C2B H2B 0.9500 . ? N3B C4B 1.380(2) . ? C4B C5B 1.363(3) . ? C4B H4B 0.9500 . ? C5B C6B 1.468(3) . ? C6B C7B 1.389(3) . ? C6B C11B 1.395(3) . ? C7B C8B 1.393(3) . ? C7B H7B 0.9500 . ? C8B C9B 1.378(4) . ? C8B H8B 0.9500 . ? C9B C10B 1.382(4) . ? C9B H9B 0.9500 . ? C10B C11B 1.387(3) . ? C10B H10B 0.9500 . ? C11B H11B 0.9500 . ? N1A C2A 1.340(3) . ? N1A C5A 1.383(2) . ? N1A H1A 0.851(10) . ? C2A N3A 1.318(3) . ? C2A H2A 0.9500 . ? N3A C4A 1.378(2) . ? C4A C5A 1.365(3) . ? C4A H4A 0.9500 . ? C5A C6A 1.463(3) . ? C6A C11A 1.395(3) . ? C6A C7A 1.395(3) . ? C7A C8A 1.390(3) . ? C7A H7A 0.9500 . ? C8A C9A 1.382(3) . ? C8A H8A 0.9500 . ? C9A C10A 1.389(3) . ? C9A H9A 0.9500 . ? C10A C11A 1.389(3) . ? C10A H10A 0.9500 . ? C11A H11A 0.9500 . ? Cl O2 1.4242(18) . ? Cl O3 1.427(2) . ? Cl O1 1.4288(15) . ? Cl O4 1.4307(17) . ? N2 C12 1.318(3) . ? N2 C14 1.456(3) . ? N2 C13 1.464(3) . ? C12 O5 1.227(3) . ? C12 H12 0.9500 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ?