#------------------------------------------------------------------------------ #$Date: 2025-11-28 01:58:48 +0000 (Fri, 28 Nov 2025) $ #$Revision: 303469 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/06/3000605.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_3000605 loop_ _publ_author_name 'Bania, Ankur' 'Gogoi, Diptajyoti' 'Kalita, Nabadeep' 'Nakane, Takanori' 'Kawamoto, Akihiro' 'Althubeiti, Khaled' 'Sasaki, Toshiyuki' 'Kurisu, Genji' 'Thakuria, Ranjit' _publ_section_title ; Beyond serendipity: uncovering novel ratiometric urea-24DHBA cocrystals through mechanochemistry and MicroED ; _journal_name_full 'Chemical Communications' _journal_page_first 16198 _journal_page_last 16201 _journal_paper_doi 10.1039/D5CC03628C _journal_volume 61 _journal_year 2025 _chemical_formula_moiety '2(C H4 N2 O), C7 H6 O4' _chemical_formula_sum 'C9 H14 N4 O6' _chemical_formula_weight 274.23 _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 geom _atom_sites_solution_primary dual _audit_creation_date 2025-06-09 _audit_creation_method ; Olex2 1.5 (compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498) ; _cell_angle_alpha 74.412(15) _cell_angle_beta 75.956(14) _cell_angle_gamma 71.464(14) _cell_formula_units_Z 2 _cell_length_a 7.2558(10) _cell_length_b 8.8651(16) _cell_length_c 10.860(2) _cell_measurement_reflns_used 8666 _cell_measurement_temperature 79 _cell_measurement_theta_max 1.1171058736815767 _cell_measurement_theta_min 0.13786914567765718 _cell_volume 628.4(2) _computing_cell_refinement 'dials.two_theta_refine (Waterman et al., 2016)' _computing_data_collection 'SerialEM (Mastronarde, 2005)' _computing_data_reduction 'dials.scale (Beilsten-Edmands et al., 2020)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 79 _diffrn_detector ; Falcon 3 direct electron camera (integration mode) ; _diffrn_detector_type CMOS _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Talos Arctica electron microscope' _diffrn_measurement_method ; continuous rotation electron diffraction (MicroED) ; _diffrn_radiation_probe electron _diffrn_radiation_type electron _diffrn_radiation_wavelength 0.02508 _diffrn_reflns_av_R_equivalents 0.2278 _diffrn_reflns_av_unetI/netI 0.1231 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 47366 _diffrn_reflns_point_group_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 0.862 _diffrn_reflns_theta_max 0.984 _diffrn_reflns_theta_min 0.116 _diffrn_source 'Talos Arctica Field Emission Gun' _exptl_absorpt_coefficient_mu 0.000 _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.449 _exptl_crystal_description powder _exptl_crystal_F_000 99 _refine_diff_density_max 0.212 _refine_diff_density_min -0.216 _refine_diff_density_rms 0.049 _refine_ls_extinction_coef 21014(14) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.141 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 176 _refine_ls_number_reflns 3360 _refine_ls_number_restraints 126 _refine_ls_restrained_S_all 1.120 _refine_ls_R_factor_all 0.1927 _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^)+(0.1554P)^2^+0.2722P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.4008 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 2195 _reflns_number_total 3360 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file Urea-24DHBA-Pre.cif _cod_data_source_block urea-24dhba-pre _cod_depositor_comments ;Releasing structure 3000605 into public domain as published material by including journal information. ; _cod_database_code 3000605 _shelx_shelxl_version_number 2018/3 _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. ; _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups, All N(H,H) groups At 1.5 times of: All O(H) groups 2. Uiso/Uaniso restraints and constraints Uanis(C12) \\sim Ueq, Uanis(O10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01 3. Rigid body (RIGU) restrains All non-hydrogen atoms with sigma for 1-2 distances of 0.05 and sigma for 1-3 distances of 0.05 4.a Aromatic/amide H refined with riding coordinates: C5(H5), C6(H6), C3(H3) 4.b X=CH2 refined with riding coordinates: N14(H14A,H14B), N15(H15A,H15B), N18(H18A,H18B), N19(H19A,H19B) 4.c Idealised tetrahedral OH refined as rotating group: O11(H11), O9(H9), O10(H10) ; _shelx_res_file ; TITL urea-24dhba-pre_a.res in P-1 urea-24dhba-pre.res created by SHELXL-2018/3 at 20:16:58 on 09-Jun-2025 REM Old TITL Urea-24DHBA-Pre in P-1 #2 REM SHELXT solution in P-1: R1 0.270, Rweak 0.095, Alpha 0.160 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C17 O2 CELL 0.02508 7.2558 8.8651 10.8597 74.412 75.956 71.464 ZERR 2 0.001 0.0016 0.002 0.015 0.014 0.014 LATT 1 SFAC C 0.731 36.995 1.195 11.297 0.456 2.814 0.125 0.346 0 0 0 0 0.77 12.011 SFAC H 0.375 15.495 0.141 4.126 0.022 0.025 -0.101 46.884 0 0 0 0 0.32 1.008 SFAC N 0.572 28.846 1.042 9.054 0.465 2.421 0.131 0.317 0 0 0 0 0.75 14.007 SFAC O 0.455 23.78 0.917 7.622 0.472 2.144 0.138 0.296 0 0 0 0 0.73 15.999 UNIT 18 28 8 12 RIGU 0.05 0.05 ISOR 0.01 0.01 C12 O10 L.S. 30 PLAN 5 TEMP -194.15 CONF LIST 6 MORE -1 BOND $H fmap 2 acta REM REM REM WGHT 0.155400 0.272200 EXTI21014.060547 FVAR 3.51328 N14 3 0.950616 0.317284 -0.017534 11.00000 0.02129 0.03450 = 0.02209 0.00480 -0.00670 -0.01274 AFIX 93 H14A 2 0.843867 0.285049 0.020555 11.00000 -1.20000 H14B 2 0.947883 0.394509 -0.088200 11.00000 -1.20000 AFIX 0 N15 3 1.280347 0.296064 -0.028941 11.00000 0.02232 0.02758 = 0.02150 0.00791 -0.01183 -0.00409 AFIX 93 H15A 2 1.391018 0.249467 0.002065 11.00000 -1.20000 H15B 2 1.277000 0.373278 -0.099621 11.00000 -1.20000 AFIX 0 O17 4 0.388403 0.803474 0.881616 11.00000 0.02070 0.02774 = 0.03408 0.00421 -0.00627 -0.01027 O11 4 0.572740 0.499373 0.853436 11.00000 0.03475 0.02183 = 0.02706 0.00079 -0.00367 -0.00486 AFIX 147 H11 2 0.537711 0.600108 0.849911 11.00000 -1.50000 AFIX 0 O13 4 1.124698 0.139478 0.131808 11.00000 0.02731 0.02698 = 0.02338 0.00589 -0.00536 -0.00731 N18 3 0.522077 0.998651 0.742875 11.00000 0.02396 0.02803 = 0.04269 0.01636 -0.00900 -0.00804 AFIX 93 H18A 2 0.640653 0.944226 0.760223 11.00000 -1.20000 H18B 2 0.504923 1.092609 0.687245 11.00000 -1.20000 AFIX 0 C5 1 0.735542 0.308544 0.722613 11.00000 0.03141 0.02237 = 0.01812 0.00388 -0.00994 -0.00847 AFIX 43 H5 2 0.739682 0.223950 0.798096 11.00000 -1.20000 AFIX 0 C4 1 0.648865 0.470837 0.735224 11.00000 0.03125 0.03013 = 0.01940 -0.00250 -0.01105 -0.00310 O8 4 0.886293 0.462796 0.261960 11.00000 0.03303 0.03419 = 0.02094 0.00334 -0.00718 -0.00578 O9 4 0.969517 0.203662 0.360866 11.00000 0.05453 0.03629 = 0.01508 -0.00516 0.00227 -0.01002 AFIX 147 H9 2 1.018740 0.192053 0.284444 11.00000 -1.50000 AFIX 0 C16 1 0.368759 0.938889 0.800744 11.00000 0.02405 0.01514 = 0.02335 0.00050 -0.00593 -0.00284 O10 4 0.707013 0.678398 0.396639 11.00000 0.03643 0.02342 = 0.02304 0.00738 -0.00592 -0.00517 AFIX 147 H10 2 0.754307 0.639058 0.329782 11.00000 -1.50000 AFIX 0 N19 3 0.192436 1.023490 0.770136 11.00000 0.02964 0.02864 = 0.04646 0.02048 -0.01360 -0.01203 AFIX 93 H19A 2 0.088977 0.985776 0.805884 11.00000 -1.20000 H19B 2 0.179337 1.117131 0.714154 11.00000 -1.20000 AFIX 0 C7 1 0.892348 0.354868 0.361407 11.00000 0.02800 0.02462 = 0.01581 0.00581 -0.00081 -0.01171 C12 1 1.116206 0.249238 0.031737 11.00000 0.02230 0.02810 = 0.02478 0.00393 -0.00600 -0.01205 C2 1 0.720041 0.556473 0.503526 11.00000 0.02273 0.03028 = 0.02360 0.00293 -0.00560 -0.01249 C6 1 0.813896 0.270477 0.603639 11.00000 0.02882 0.02018 = 0.02694 -0.00388 0.00168 -0.00844 AFIX 43 H6 2 0.872482 0.160022 0.597126 11.00000 -1.20000 AFIX 0 C3 1 0.642695 0.594361 0.624795 11.00000 0.02822 0.02060 = 0.02080 -0.00195 -0.00022 -0.00537 AFIX 43 H3 2 0.585586 0.704592 0.632348 11.00000 -1.20000 AFIX 0 C1 1 0.808395 0.394839 0.489630 11.00000 0.02596 0.02640 = 0.02270 -0.00168 -0.00479 -0.01131 HKLF 4 REM urea-24dhba-pre_a.res in P-1 REM wR2 = 0.4139, GooF = S = 1.141, Restrained GooF = 1.120 for all data REM R1 = 0.1591 for 2195 Fo > 4sig(Fo) and 0.1927 for all 3360 data REM 176 parameters refined using 126 restraints END WGHT 0.1578 0.2641 REM Highest difference peak 0.212, deepest hole -0.216, 1-sigma level 0.049 Q1 1 0.8868 0.3014 0.4008 11.00000 0.05 0.21 Q2 1 1.0252 0.2192 0.0381 11.00000 0.05 0.21 Q3 1 0.7888 0.2657 0.0219 11.00000 0.05 0.18 Q4 1 1.1937 0.2526 0.0243 11.00000 0.05 0.17 Q5 1 0.7917 0.3221 -0.0262 11.00000 0.05 0.16 ; _shelx_res_checksum 42328 _shelx_hkl_file ; -9 -6 1 0.77 30.21 -9 -6 1 0.31 7.67 -9 -6 1 2.61 8.89 -9 -6 1 1.23 16.41 -9 -6 1 -7.51 99.53 -9 -6 1 -2.61 38.49 -9 -6 1 9.05 4.45 -9 -6 1 0.61 43.71 -9 -6 1 -2.45 35.43 -9 -6 1 2.76 46.77 -9 -6 1 0.92 45.39 -9 -6 1 1.69 15.18 -9 -6 1 -0.31 8.28 -9 -6 1 0.77 1.84 -9 -6 1 4.45 12.88 9 6 -1 0.77 28.68 9 6 -1 0.15 8.43 9 6 -1 1.07 19.17 9 6 -1 2.61 108.73 9 6 -1 0.46 3.53 9 6 -1 3.22 54.75 9 6 -1 0.92 41.87 9 6 -1 6.29 44.17 9 6 -1 -3.37 44.93 9 6 -1 2.61 17.02 9 6 -1 3.53 8.89 9 6 -1 2.45 2.30 -9 -5 1 4.75 31.59 -9 -5 1 2.45 8.28 -9 -5 1 2.15 10.74 -9 -5 1 3.37 14.42 -9 -5 1 19.32 91.56 -9 -5 1 -0.15 36.19 -9 -5 1 7.51 3.53 -9 -5 1 8.89 52.91 -9 -5 1 1.07 33.59 -9 -5 1 2.15 52.60 -9 -5 1 11.04 43.71 -9 -5 1 4.29 60.27 -9 -5 1 3.07 12.88 -9 -5 1 7.21 7.36 -9 -5 1 2.91 2.30 9 5 -1 5.52 28.83 9 5 -1 1.69 10.74 9 5 -1 8.89 15.03 9 5 -1 7.05 99.99 9 5 -1 7.05 3.53 9 5 -1 9.51 60.12 9 5 -1 11.20 38.34 9 5 -1 0.31 47.69 9 5 -1 11.81 35.73 9 5 -1 6.59 50.76 9 5 -1 1.53 12.58 9 5 -1 12.12 8.74 9 5 -1 1.23 2.30 -9 -5 2 7.97 29.29 -9 -5 2 0.61 7.82 -9 -5 2 1.99 10.89 -9 -5 2 -1.53 15.34 -9 -5 2 -2.45 94.62 -9 -5 2 -8.13 34.81 -9 -5 2 1.23 3.68 -9 -5 2 -6.75 61.34 -9 -5 2 -0.15 26.07 -9 -5 2 -3.83 50.76 -9 -5 2 1.99 34.97 -9 -5 2 -1.38 59.50 -9 -5 2 0.61 14.11 -9 -5 2 0.92 7.67 -9 -5 2 0.46 2.45 -9 -5 2 -0.92 53.68 9 5 -2 2.30 28.68 9 5 -2 1.23 15.49 9 5 -2 -4.91 95.24 9 5 -2 2.61 4.29 9 5 -2 0.61 29.29 9 5 -2 1.69 48.31 9 5 -2 4.75 34.05 9 5 -2 6.13 49.23 9 5 -2 1.69 12.58 9 5 -2 0.77 7.21 9 5 -2 0.61 2.61 -9 -4 1 5.21 45.70 -9 -4 1 5.37 13.80 -9 -4 1 4.29 15.49 -9 -4 1 6.59 91.10 -9 -4 1 4.29 34.05 -9 -4 1 9.05 3.53 -9 -4 1 3.53 30.67 -9 -4 1 5.21 34.20 -9 -4 1 -5.98 59.50 -9 -4 1 2.45 15.80 -9 -4 1 7.05 7.36 -9 -4 1 3.53 2.61 9 4 -1 11.81 37.88 9 4 -1 7.97 13.80 9 4 -1 -1.38 16.72 9 4 -1 3.22 16.72 9 4 -1 21.62 94.78 9 4 -1 -0.15 34.66 9 4 -1 7.82 3.83 9 4 -1 0.92 35.58 9 4 -1 2.30 28.52 9 4 -1 0.61 61.96 9 4 -1 5.52 7.05 9 4 -1 5.83 2.91 -9 -4 2 -0.15 41.10 -9 -4 2 1.84 12.73 -9 -4 2 -0.15 14.88 -9 -4 2 1.53 95.39 -9 -4 2 1.53 33.74 -9 -4 2 1.38 3.99 -9 -4 2 -2.61 24.08 -9 -4 2 3.07 44.47 -9 -4 2 3.83 28.37 -9 -4 2 -5.52 63.64 -9 -4 2 -0.31 13.34 -9 -4 2 1.53 6.75 -9 -4 2 2.30 2.61 -9 -4 2 2.30 44.78 9 4 -2 1.69 33.89 9 4 -2 3.68 14.88 9 4 -2 -0.77 16.56 9 4 -2 14.72 95.70 9 4 -2 0.00 32.82 9 4 -2 1.23 3.68 9 4 -2 1.99 25.76 9 4 -2 -0.15 55.06 9 4 -2 1.84 26.38 9 4 -2 7.36 61.34 9 4 -2 -0.15 13.65 9 4 -2 2.61 6.75 9 4 -2 0.77 2.45 -9 -3 1 -0.92 57.20 -9 -3 1 3.53 40.18 -9 -3 1 2.30 14.57 -9 -3 1 1.23 11.04 -9 -3 1 2.30 15.18 -9 -3 1 13.65 91.10 -9 -3 1 -3.53 32.67 -9 -3 1 3.68 3.07 -9 -3 1 2.45 28.68 -9 -3 1 5.98 27.91 -9 -3 1 -0.46 53.98 -9 -3 1 1.53 12.12 -9 -3 1 2.91 6.44 -9 -3 1 4.14 2.91 9 3 -1 3.53 54.75 9 3 -1 6.29 14.11 9 3 -1 1.07 10.28 9 3 -1 2.15 14.57 9 3 -1 0.00 89.56 9 3 -1 4.91 33.59 9 3 -1 2.61 2.15 9 3 -1 6.13 32.51 9 3 -1 3.37 26.68 9 3 -1 11.35 54.29 9 3 -1 5.37 6.59 9 3 -1 3.37 2.76 -9 -3 2 -0.31 55.52 -9 -3 2 0.77 13.65 -9 -3 2 1.23 11.20 -9 -3 2 0.77 15.03 -9 -3 2 -1.69 99.07 -9 -3 2 -2.30 33.89 -9 -3 2 3.68 3.83 -9 -3 2 -0.92 21.62 -9 -3 2 7.05 26.53 -9 -3 2 0.00 56.90 -9 -3 2 1.38 13.65 -9 -3 2 1.07 5.67 -9 -3 2 0.77 2.91 9 3 -2 12.73 52.30 9 3 -2 0.15 15.80 9 3 -2 2.45 9.05 9 3 -2 0.61 14.57 9 3 -2 -9.97 97.23 9 3 -2 -2.45 32.67 9 3 -2 2.76 4.29 9 3 -2 5.21 23.46 9 3 -2 3.83 19.78 9 3 -2 4.29 57.20 9 3 -2 -0.61 11.96 9 3 -2 0.31 5.98 9 3 -2 0.61 2.76 -9 -2 1 2.30 61.96 -9 -2 1 1.38 9.05 -9 -2 1 0.00 14.88 -9 -2 1 0.00 12.42 -9 -2 1 0.46 18.25 -9 -2 1 -2.30 91.10 -9 -2 1 -5.21 32.05 -9 -2 1 5.21 25.00 -9 -2 1 1.99 15.03 -9 -2 1 1.07 5.37 -9 -2 1 2.30 2.91 9 2 -1 -2.76 60.42 9 2 -1 0.00 11.66 9 2 -1 1.69 16.41 9 2 -1 0.15 11.96 9 2 -1 0.61 18.86 9 2 -1 0.61 93.09 9 2 -1 0.61 31.59 9 2 -1 -2.30 26.53 9 2 -1 1.84 19.17 9 2 -1 1.07 5.67 -9 -2 2 -0.77 64.41 -9 -2 2 0.61 18.86 -9 -2 2 2.76 14.72 -9 -2 2 2.45 11.20 -9 -2 2 2.30 19.02 -9 -2 2 -14.88 97.08 -9 -2 2 2.61 36.50 -9 -2 2 3.37 3.99 -9 -2 2 3.53 18.40 -9 -2 2 1.99 17.33 -9 -2 2 2.76 17.18 -9 -2 2 4.75 5.83 -9 -2 2 2.61 2.91 9 2 -2 1.84 58.28 9 2 -2 5.06 17.33 9 2 -2 2.91 10.89 9 2 -2 1.69 17.79 9 2 -2 10.89 100.60 9 2 -2 1.84 33.28 9 2 -2 4.75 19.94 9 2 -2 3.83 16.72 9 2 -2 1.38 49.53 9 2 -2 3.07 5.52 9 2 -2 3.53 3.22 -9 -1 1 13.19 6.59 -9 -1 1 6.75 14.88 -9 -1 1 28.37 16.72 -9 -1 1 7.67 13.04 -9 -1 1 1.23 96.31 -9 -1 1 8.28 33.13 -9 -1 1 10.58 20.09 -9 -1 1 8.89 18.40 -9 -1 1 6.90 24.54 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58.89 0 -8 7 29.60 133.12 0 -8 7 10.74 5.37 0 -8 7 6.44 4.14 0 8 -7 75.30 146.46 0 8 -7 13.96 94.16 0 8 -7 3.22 13.65 0 8 -7 16.72 12.58 0 8 -7 -0.61 29.29 0 8 -7 9.35 54.29 0 8 -7 -0.77 41.87 0 8 -7 40.33 135.11 0 8 -7 11.04 5.83 0 8 -7 7.51 0.61 0 8 -7 15.95 250.13 0 -8 8 11.96 78.37 0 -8 8 19.32 243.69 0 -8 8 0.77 19.94 0 -8 8 7.67 11.81 0 -8 8 13.34 55.06 0 -8 8 1.53 6.75 0 -8 8 6.90 53.68 0 -8 8 29.29 134.80 0 -8 8 5.37 4.75 0 -8 8 3.53 6.90 0 -8 8 4.29 19.17 0 8 -8 8.13 78.98 0 8 -8 -0.61 115.02 0 8 -8 8.89 16.41 0 8 -8 3.22 10.74 0 8 -8 3.83 2.91 0 8 -8 3.83 34.66 0 8 -8 1.38 6.59 0 8 -8 3.99 38.65 0 8 -8 -6.90 64.56 0 8 -8 25.00 128.36 0 8 -8 3.68 5.21 0 8 -8 1.99 5.06 0 8 -8 2.15 20.55 0 -7 1 9.35 76.83 0 -7 1 34.66 18.25 0 -7 1 30.83 7.82 0 -7 1 19.94 24.38 0 -7 1 73.77 123.91 0 -7 1 20.40 15.18 0 -7 1 18.25 30.52 0 -7 1 17.18 8.13 0 -7 1 28.52 20.24 0 7 -1 24.84 76.99 0 7 -1 32.05 16.41 0 7 -1 28.06 7.67 0 7 -1 16.10 23.77 0 7 -1 80.67 125.91 0 7 -1 17.18 33.13 0 7 -1 12.88 4.91 0 7 -1 29.90 19.32 0 -7 2 67.78 79.13 0 -7 2 69.47 17.94 0 -7 2 50.92 25.15 0 -7 2 32.05 25.00 0 -7 2 81.43 131.28 0 -7 2 42.17 11.81 0 -7 2 37.27 38.03 0 -7 2 15.49 4.14 0 -7 2 51.84 20.24 0 7 -2 53.83 75.15 0 7 -2 73.15 18.56 0 7 -2 32.21 25.00 0 7 -2 132.66 130.82 0 7 -2 77.14 13.80 0 7 -2 26.68 36.35 0 7 -2 27.76 4.14 0 7 -2 47.69 18.25 0 -7 3 -2.30 75.61 0 -7 3 2.30 40.95 0 -7 3 28.83 14.42 0 -7 3 34.35 7.67 0 -7 3 23.62 15.03 0 -7 3 9.51 17.18 0 -7 3 3.68 20.55 0 -7 3 78.21 133.27 0 -7 3 28.37 7.21 0 -7 3 51.07 53.52 0 -7 3 6.75 1.69 0 -7 3 95.70 15.95 0 7 -3 24.84 74.53 0 7 -3 40.79 14.26 0 7 -3 9.81 6.13 0 7 -3 7.51 17.79 0 7 -3 -2.30 20.70 0 7 -3 77.45 128.36 0 7 -3 61.04 9.20 0 7 -3 39.87 53.83 0 -7 4 70.85 77.75 0 -7 4 77.60 31.75 0 -7 4 63.49 14.72 0 -7 4 66.25 9.81 0 -7 4 93.24 23.31 0 -7 4 50.15 11.66 0 -7 4 67.94 31.29 0 -7 4 76.68 7.97 0 -7 4 73.46 77.14 0 7 -4 83.89 80.82 0 7 -4 69.62 31.59 0 7 -4 65.64 14.72 0 7 -4 123.45 17.94 0 7 -4 68.86 21.01 0 7 -4 75.91 30.21 0 7 -4 116.40 132.96 0 7 -4 62.88 7.67 0 7 -4 56.90 75.15 0 -7 5 64.72 90.94 0 -7 5 72.39 79.59 0 -7 5 49.23 19.48 0 -7 5 41.71 13.80 0 -7 5 52.14 27.76 0 -7 5 36.19 9.66 0 -7 5 43.55 36.81 0 -7 5 43.40 6.29 0 -7 5 63.80 127.59 0 7 -5 101.83 213.94 0 7 -5 65.64 75.61 0 7 -5 46.93 24.08 0 7 -5 48.77 14.11 0 7 -5 52.45 26.68 0 7 -5 49.07 32.51 0 7 -5 85.88 132.35 0 7 -5 38.65 6.29 0 7 -5 68.40 112.72 0 -7 6 200.59 74.07 0 -7 6 95.54 94.62 0 -7 6 55.36 19.48 0 -7 6 56.74 14.88 0 -7 6 106.89 32.97 0 -7 6 63.80 10.43 0 -7 6 178.82 63.18 0 -7 6 79.13 52.76 0 -7 6 60.27 7.05 0 -7 6 43.40 5.06 0 7 -6 461.15 146.46 0 7 -6 103.98 83.43 0 7 -6 71.93 19.32 0 7 -6 90.18 16.56 0 7 -6 75.91 28.68 0 7 -6 161.64 49.84 0 7 -6 84.81 43.86 0 7 -6 71.62 132.50 0 7 -6 87.41 8.43 0 7 -6 134.34 210.41 0 -7 7 8.13 64.10 0 -7 7 23.31 200.75 0 -7 7 -0.31 20.70 0 -7 7 8.59 12.88 0 -7 7 20.55 47.69 0 -7 7 -0.77 6.13 0 -7 7 25.46 43.71 0 -7 7 26.68 134.65 0 -7 7 10.43 4.75 0 -7 7 14.88 7.05 0 -7 7 2.91 18.40 0 7 -7 1.84 56.74 0 7 -7 -2.15 96.46 0 7 -7 5.37 19.63 0 7 -7 0.15 11.66 0 7 -7 3.22 3.99 0 7 -7 10.12 35.12 0 7 -7 1.53 5.52 0 7 -7 1.53 30.06 0 7 -7 -7.97 63.95 0 7 -7 59.96 127.75 0 7 -7 4.91 4.75 0 7 -7 2.45 5.52 0 7 -7 5.52 18.40 0 -7 8 33.59 118.85 0 -7 8 17.79 11.35 0 -7 8 2.30 3.07 0 -7 8 4.14 7.05 0 -7 8 9.20 28.37 0 -7 8 11.35 135.26 0 -7 8 1.99 21.93 0 -7 8 4.29 4.75 0 -7 8 8.28 10.12 0 -7 8 3.22 20.40 0 7 -8 -5.67 127.75 0 7 -8 48.61 216.54 0 7 -8 6.75 23.00 0 7 -8 15.49 10.28 0 7 -8 6.29 3.68 0 7 -8 3.53 6.44 0 7 -8 8.43 22.70 0 7 -8 46.31 126.06 0 7 -8 0.46 18.86 0 7 -8 4.75 4.60 0 7 -8 3.99 7.82 0 7 -8 16.56 19.17 0 -7 9 32.36 10.89 0 -7 9 29.29 4.91 0 -7 9 21.93 8.74 0 -7 9 32.67 23.00 0 -7 9 73.15 136.49 0 -7 9 11.81 19.94 0 -7 9 27.14 6.59 0 -7 9 32.82 15.49 0 -7 9 27.60 24.54 0 7 -9 62.26 115.48 0 7 -9 -1.99 145.08 0 7 -9 32.82 10.28 0 7 -9 28.22 5.83 0 7 -9 18.10 9.05 0 7 -9 28.22 23.62 0 7 -9 103.82 123.30 0 7 -9 19.94 25.76 0 7 -9 31.90 6.44 0 7 -9 28.68 13.50 0 7 -9 34.20 22.39 0 -6 1 446.12 90.79 0 -6 1 326.04 29.44 0 -6 1 328.19 23.77 0 -6 1 261.17 34.97 0 -6 1 242.00 119.16 0 -6 1 257.95 22.54 0 -6 1 262.09 39.72 0 -6 1 317.76 21.78 0 -6 1 211.02 27.60 0 6 -1 373.43 87.72 0 6 -1 273.90 26.22 0 6 -1 366.07 25.76 0 6 -1 260.40 35.73 0 6 -1 230.65 120.69 0 6 -1 235.25 22.54 0 6 -1 265.62 42.33 0 6 -1 312.55 19.32 0 6 -1 256.72 30.37 0 -6 2 618.34 98.15 0 -6 2 424.65 33.28 0 -6 2 488.75 32.21 0 -6 2 496.58 35.89 0 -6 2 435.69 43.55 0 -6 2 376.19 130.97 0 -6 2 327.42 21.93 0 -6 2 421.58 56.44 0 -6 2 410.24 22.85 0 -6 2 382.02 33.59 0 6 -2 525.25 93.24 0 6 -2 399.35 31.90 0 6 -2 450.57 30.21 0 6 -2 422.50 36.19 0 6 -2 451.49 44.93 0 6 -2 399.35 129.28 0 6 -2 297.21 21.16 0 6 -2 395.97 53.83 0 6 -2 351.50 19.78 0 6 -2 348.43 30.52 0 -6 3 140.63 72.39 0 -6 3 97.23 34.20 0 -6 3 150.14 18.56 0 -6 3 107.04 11.81 0 -6 3 157.35 17.48 0 -6 3 110.57 18.86 0 -6 3 90.79 13.04 0 -6 3 117.01 27.91 0 -6 3 141.40 10.58 0 -6 3 110.27 55.82 0 6 -3 152.29 72.54 0 6 -3 72.69 35.12 0 6 -3 148.76 18.25 0 6 -3 124.37 12.73 0 6 -3 176.36 20.70 0 6 -3 116.25 19.02 0 6 -3 105.82 26.07 0 6 -3 100.45 121.61 0 6 -3 113.33 9.66 0 6 -3 76.53 51.53 0 -6 4 65.33 145.38 0 -6 4 25.61 58.58 0 -6 4 6.29 64.26 0 -6 4 8.89 20.40 0 -6 4 50.92 13.96 0 -6 4 14.11 21.01 0 -6 4 28.06 9.20 0 -6 4 5.67 25.30 0 -6 4 24.84 4.91 0 -6 4 0.77 82.97 0 6 -4 40.03 66.86 0 6 -4 3.22 25.46 0 6 -4 56.59 13.80 0 6 -4 18.71 20.40 0 6 -4 11.50 24.54 0 6 -4 37.73 122.84 0 6 -4 7.21 4.45 0 6 -4 1.07 3.37 0 6 -4 4.91 71.77 0 -6 5 15.03 73.61 0 -6 5 6.59 70.70 0 -6 5 18.86 16.56 0 -6 5 22.54 12.88 0 -6 5 6.29 25.30 0 -6 5 8.74 7.36 0 -6 5 15.49 41.41 0 -6 5 8.43 37.11 0 -6 5 13.19 4.45 0 -6 5 9.51 3.68 0 -6 5 4.75 236.02 0 6 -5 14.88 97.69 0 6 -5 1.84 65.64 0 6 -5 7.67 16.10 0 6 -5 16.56 13.04 0 6 -5 12.12 23.46 0 6 -5 18.25 35.43 0 6 -5 3.53 32.21 0 6 -5 56.90 125.91 0 6 -5 9.97 4.45 0 6 -5 15.03 1.53 0 6 -5 3.68 151.83 0 -6 6 0.00 40.95 0 -6 6 38.19 159.95 0 -6 6 -1.23 21.47 0 -6 6 3.07 12.58 0 -6 6 14.57 15.64 0 -6 6 41.41 48.00 0 -6 6 2.91 6.75 0 -6 6 69.47 33.28 0 -6 6 81.89 132.50 0 -6 6 17.18 4.60 0 -6 6 60.88 8.43 0 6 -6 8.28 43.71 0 6 -6 17.94 82.97 0 6 -6 3.53 18.56 0 6 -6 6.29 11.66 0 6 -6 8.59 5.37 0 6 -6 40.64 35.12 0 6 -6 9.66 25.00 0 6 -6 8.89 56.44 0 6 -6 44.63 126.37 0 6 -6 14.11 4.75 0 6 -6 6.44 6.13 0 6 -6 11.04 19.02 0 -6 7 269.14 94.78 0 -6 7 111.49 15.18 0 -6 7 42.17 5.52 0 -6 7 56.74 9.51 0 -6 7 103.21 26.07 0 -6 7 93.24 131.43 0 -6 7 58.89 21.93 0 -6 7 63.95 7.05 0 -6 7 79.13 11.81 0 -6 7 43.71 21.01 0 6 -7 228.96 118.85 0 6 -7 181.58 189.24 0 6 -7 48.92 24.23 0 6 -7 111.34 14.26 0 6 -7 60.73 6.90 0 6 -7 58.58 10.12 0 6 -7 102.60 22.85 0 6 -7 117.17 128.21 0 6 -7 54.14 20.40 0 6 -7 56.44 6.44 0 6 -7 59.20 9.35 0 6 -7 60.27 21.93 0 -6 8 80.51 12.88 0 -6 8 60.88 7.21 0 -6 8 43.86 9.35 0 -6 8 61.04 21.62 0 -6 8 114.71 136.34 0 -6 8 52.76 21.62 0 -6 8 56.13 7.36 0 -6 8 73.77 14.57 0 -6 8 51.07 26.38 0 6 -8 313.47 188.78 0 6 -8 79.13 12.58 0 6 -8 57.97 7.82 0 6 -8 40.03 10.12 0 6 -8 65.64 21.62 0 6 -8 153.51 122.84 0 6 -8 70.39 25.76 0 6 -8 57.20 7.21 0 6 -8 51.22 13.50 0 6 -8 53.98 23.62 0 -6 9 9.66 9.20 0 -6 9 5.52 5.37 0 -6 9 23.77 9.66 0 -6 9 7.67 22.24 0 -6 9 66.40 133.27 0 -6 9 1.69 24.08 0 -6 9 13.34 5.98 0 -6 9 7.97 11.20 0 -6 9 5.67 29.29 0 6 -9 7.82 10.12 0 6 -9 7.36 5.83 0 6 -9 21.32 8.74 0 6 -9 11.20 27.91 0 6 -9 94.01 117.32 0 6 -9 17.18 30.67 0 6 -9 9.66 5.83 0 6 -9 5.98 14.72 0 6 -9 3.07 26.38 0 -6 10 39.87 11.66 0 -6 10 44.47 7.05 0 -6 10 46.62 10.58 0 -6 10 68.86 34.51 0 -6 10 52.91 131.74 0 -6 10 29.44 36.04 0 -6 10 52.60 24.08 0 -6 10 27.91 33.74 0 6 -10 49.99 13.19 0 6 -10 37.73 7.51 0 6 -10 44.78 10.43 0 6 -10 50.15 42.48 0 6 -10 69.62 116.86 0 6 -10 41.10 35.89 0 6 -10 36.81 7.51 0 6 -10 25.00 11.20 0 6 -10 27.60 32.36 0 -5 1 220.22 64.72 0 -5 1 293.68 25.30 0 -5 1 132.04 23.62 0 -5 1 245.53 111.80 0 -5 1 204.43 17.79 0 -5 1 153.36 30.52 0 -5 1 160.11 11.96 0 5 -1 177.74 65.94 0 5 -1 296.90 25.00 0 5 -1 253.35 19.48 0 5 -1 116.25 22.54 0 5 -1 251.20 108.58 0 5 -1 272.52 21.32 0 5 -1 137.56 30.67 0 5 -1 145.08 9.97 0 5 -1 90.64 20.55 0 -5 2 31.13 56.59 0 -5 2 65.64 13.96 0 -5 2 34.51 7.05 0 -5 2 23.31 13.65 0 -5 2 11.81 16.56 0 -5 2 95.54 110.27 0 -5 2 83.89 7.97 0 -5 2 11.66 31.90 0 5 -2 17.79 53.98 0 5 -2 95.39 14.88 0 5 -2 54.29 8.28 0 5 -2 24.84 9.35 0 5 -2 19.32 13.96 0 5 -2 13.04 15.03 0 5 -2 65.64 109.34 0 5 -2 6.59 32.05 0 5 -2 102.60 15.03 0 -5 3 193.23 60.58 0 -5 3 119.62 30.06 0 -5 3 209.95 20.09 0 -5 3 151.37 20.55 0 -5 3 224.21 20.24 0 -5 3 169.61 31.44 0 -5 3 216.39 66.40 0 5 -3 153.36 62.42 0 5 -3 132.04 31.90 0 5 -3 240.47 21.93 0 5 -3 153.97 19.94 0 5 -3 189.24 30.67 0 5 -3 136.80 116.55 0 5 -3 123.76 8.74 0 5 -3 169.15 57.05 0 -5 4 28.83 77.60 0 -5 4 31.29 55.67 0 -5 4 6.90 15.03 0 -5 4 14.26 11.66 0 -5 4 6.75 19.78 0 -5 4 9.97 7.36 0 -5 4 27.60 37.57 0 -5 4 10.43 30.67 0 -5 4 45.09 5.21 0 -5 4 28.68 135.72 0 5 -4 41.25 63.80 0 5 -4 18.71 53.22 0 5 -4 5.21 15.80 0 5 -4 21.01 11.96 0 5 -4 12.58 19.78 0 5 -4 27.14 30.06 0 5 -4 20.24 26.99 0 5 -4 107.20 117.01 0 5 -4 17.64 4.14 0 5 -4 15.64 108.12 0 -5 5 15.18 32.21 0 -5 5 73.77 113.49 0 -5 5 11.35 20.09 0 -5 5 8.89 12.12 0 -5 5 20.55 7.51 0 -5 5 52.45 40.64 0 -5 5 7.36 7.05 0 -5 5 100.14 27.60 0 -5 5 32.21 4.75 0 5 -5 22.08 33.74 0 5 -5 52.45 73.31 0 5 -5 16.26 20.70 0 5 -5 24.23 11.96 0 5 -5 22.24 6.90 0 5 -5 79.13 34.35 0 5 -5 21.16 20.40 0 5 -5 22.39 46.77 0 5 -5 66.71 116.09 0 5 -5 33.43 4.91 0 5 -5 12.73 6.13 0 5 -5 33.43 18.56 0 -5 6 86.95 65.33 0 -5 6 57.66 11.50 0 -5 6 35.43 5.83 0 -5 6 40.64 8.74 0 -5 6 60.73 19.32 0 -5 6 169.31 126.67 0 -5 6 47.23 19.32 0 -5 6 30.37 5.06 0 -5 6 44.32 9.81 0 5 -6 153.82 88.95 0 5 -6 73.61 129.74 0 5 -6 59.81 11.04 0 5 -6 42.94 6.44 0 5 -6 61.50 17.48 0 5 -6 180.66 117.78 0 5 -6 33.74 18.56 0 5 -6 35.43 5.06 0 5 -6 40.95 8.28 0 5 -6 44.17 18.40 0 -5 7 91.86 12.73 0 -5 7 90.79 9.51 0 -5 7 176.36 16.72 0 -5 7 101.52 19.94 0 -5 7 186.33 128.97 0 -5 7 59.81 22.85 0 -5 7 73.31 7.67 0 -5 7 80.67 12.58 0 5 -7 106.89 14.11 0 5 -7 63.49 8.59 0 5 -7 144.00 14.72 0 5 -7 88.95 20.70 0 5 -7 155.05 117.78 0 5 -7 80.21 25.15 0 5 -7 63.18 7.05 0 5 -7 85.57 13.34 0 5 -7 56.13 25.61 0 -5 8 87.72 13.65 0 -5 8 78.21 9.35 0 -5 8 41.25 10.28 0 -5 8 78.21 25.00 0 -5 8 163.02 130.05 0 -5 8 42.17 25.92 0 -5 8 53.68 7.05 0 -5 8 69.01 18.56 0 -5 8 92.17 32.05 0 5 -8 90.94 14.26 0 5 -8 77.29 9.51 0 5 -8 38.03 9.20 0 5 -8 113.64 28.83 0 5 -8 185.87 116.09 0 5 -8 56.59 29.75 0 5 -8 38.03 6.59 0 5 -8 63.49 12.42 0 5 -8 93.24 30.83 0 -5 9 10.43 10.74 0 -5 9 5.21 6.13 0 -5 9 6.13 8.13 0 -5 9 19.63 32.21 0 -5 9 47.39 125.60 0 -5 9 10.58 27.60 0 -5 9 7.97 6.59 0 -5 9 0.00 23.16 0 -5 9 -0.46 29.60 0 5 -9 11.04 10.89 0 5 -9 9.20 7.82 0 5 -9 7.67 7.05 0 5 -9 13.80 35.27 0 5 -9 67.32 114.56 0 5 -9 7.97 28.37 0 5 -9 4.60 3.99 0 5 -9 3.99 11.81 0 5 -9 2.45 29.14 0 -5 10 18.86 10.58 0 -5 10 1.23 7.51 0 -5 10 6.90 7.97 0 -5 10 12.58 40.33 0 -5 10 48.77 126.83 0 -5 10 3.37 31.59 0 -5 10 2.15 7.51 0 -5 10 7.67 32.21 0 5 -10 9.97 8.74 0 5 -10 4.14 7.67 0 5 -10 40.33 107.20 0 5 -10 4.29 35.58 0 5 -10 17.33 7.36 0 5 -10 -0.77 21.16 0 5 -10 2.91 35.43 0 -5 11 11.04 8.59 0 -5 11 6.44 8.13 0 -5 11 56.28 128.51 0 -5 11 13.96 37.27 0 -5 11 19.94 10.12 0 -5 11 17.33 36.19 0 5 -11 16.10 9.97 0 5 -11 6.29 22.85 0 5 -11 9.20 7.21 0 5 -11 37.73 102.90 0 5 -11 14.42 43.09 0 5 -11 18.86 8.74 0 5 -11 7.97 34.20 0 -4 1 41.56 48.92 0 -4 1 18.25 13.50 0 -4 1 96.77 93.09 0 -4 1 49.23 8.74 0 -4 1 32.67 21.32 0 -4 1 7.05 2.76 0 4 -1 33.59 48.46 0 4 -1 30.52 11.81 0 4 -1 35.12 6.90 0 4 -1 7.36 13.04 0 4 -1 98.46 92.02 0 4 -1 29.29 21.32 0 4 -1 11.66 2.61 0 4 -1 13.96 13.19 0 -4 2 35.73 48.46 0 -4 2 14.88 23.92 0 -4 2 73.46 12.73 0 -4 2 35.27 6.59 0 -4 2 39.11 9.81 0 -4 2 21.93 11.50 0 -4 2 20.40 7.67 0 -4 2 12.73 16.72 0 -4 2 16.56 31.90 0 4 -2 22.85 46.47 0 4 -2 12.27 24.08 0 4 -2 85.73 13.19 0 4 -2 36.81 6.59 0 4 -2 54.60 10.89 0 4 -2 28.52 11.81 0 4 -2 22.24 16.41 0 4 -2 90.02 95.85 0 4 -2 57.36 5.52 0 4 -2 10.12 31.75 0 -4 3 317.15 62.26 0 -4 3 149.99 49.99 0 -4 3 81.13 18.25 0 -4 3 121.61 15.18 0 -4 3 123.45 19.17 0 -4 3 99.22 11.66 0 -4 3 155.81 32.67 0 -4 3 116.25 7.82 0 -4 3 171.00 85.57 0 4 -3 203.51 56.59 0 4 -3 154.89 49.99 0 4 -3 104.74 20.70 0 4 -3 116.09 15.03 0 4 -3 121.00 19.02 0 4 -3 136.64 29.90 0 4 -3 199.06 105.36 0 4 -3 110.57 7.67 0 4 -3 137.56 73.15 0 -4 4 109.96 27.60 0 -4 4 173.60 95.24 0 -4 4 81.13 24.38 0 -4 4 104.59 15.95 0 -4 4 82.05 12.73 0 -4 4 131.12 37.73 0 -4 4 57.97 9.05 0 -4 4 122.23 8.28 0 4 -4 97.84 28.98 0 4 -4 220.53 65.94 0 4 -4 93.40 24.08 0 4 -4 194.31 19.02 0 4 -4 78.06 9.97 0 4 -4 198.29 35.12 0 4 -4 149.52 21.01 0 4 -4 114.71 51.22 0 4 -4 264.54 112.26 0 4 -4 141.09 9.35 0 4 -4 62.72 7.36 0 4 -4 71.47 18.86 0 -4 5 84.96 79.75 0 -4 5 29.44 8.74 0 -4 5 35.73 5.98 0 -4 5 26.84 7.36 0 -4 5 40.64 14.72 0 -4 5 131.58 111.95 0 -4 5 15.18 14.88 0 -4 5 26.53 4.29 0 -4 5 26.53 7.97 0 4 -5 90.64 48.15 0 4 -5 20.40 71.47 0 4 -5 28.68 8.43 0 4 -5 31.90 6.13 0 4 -5 34.51 13.50 0 4 -5 150.91 105.66 0 4 -5 21.16 15.03 0 4 -5 20.86 3.99 0 4 -5 36.96 7.82 0 4 -5 29.29 16.56 0 -4 6 220.22 18.86 0 -4 6 186.48 16.72 0 -4 6 233.57 23.92 0 -4 6 345.82 121.00 0 -4 6 176.98 26.84 0 -4 6 203.35 13.50 0 -4 6 305.18 22.24 0 4 -6 270.53 21.78 0 4 -6 228.35 16.56 0 4 -6 295.83 27.30 0 4 -6 428.79 115.63 0 4 -6 393.21 38.95 0 4 -6 236.02 14.88 0 4 -6 190.78 16.10 0 4 -6 228.04 33.89 0 -4 7 250.44 22.24 0 -4 7 201.97 15.80 0 -4 7 186.94 17.02 0 -4 7 274.36 31.13 0 -4 7 343.83 125.60 0 -4 7 198.45 32.36 0 -4 7 171.92 41.25 0 4 -7 306.87 25.46 0 4 -7 231.88 17.79 0 4 -7 158.73 15.49 0 4 -7 241.85 30.83 0 4 -7 373.89 108.73 0 4 -7 188.78 31.59 0 4 -7 177.13 12.58 0 4 -7 244.15 24.38 0 4 -7 211.94 36.04 0 -4 8 78.98 14.42 0 -4 8 65.33 10.58 0 -4 8 46.93 9.97 0 -4 8 72.39 31.59 0 -4 8 91.40 119.31 0 -4 8 51.84 26.99 0 -4 8 67.78 9.66 0 4 -8 76.07 13.80 0 4 -8 66.10 10.74 0 4 -8 40.33 8.89 0 4 -8 109.96 100.91 0 4 -8 61.04 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53.68 0 1 13 21.62 19.32 0 1 13 74.99 17.33 0 1 13 47.69 19.94 0 1 13 71.93 71.16 0 1 13 28.52 30.52 0 1 13 57.51 20.40 0 -1 -13 56.13 13.80 0 -1 -13 36.19 51.38 0 -1 -13 27.14 17.33 0 -1 -13 52.60 15.18 0 -1 -13 98.15 134.80 0 -1 -13 25.15 36.35 0 1 14 -1.23 18.10 0 1 14 1.38 55.52 0 1 14 6.59 16.56 0 1 14 2.76 13.80 0 1 14 2.30 15.03 0 1 14 27.76 81.43 0 1 14 -0.31 32.36 0 1 14 -0.92 20.09 0 -1 -14 6.13 36.65 0 -1 -14 -0.61 46.01 0 -1 -14 1.07 14.26 0 -1 -14 0.15 12.73 0 -1 -14 -4.45 43.40 0 2 0 483.69 29.60 0 2 0 378.34 22.39 0 2 0 359.17 26.99 0 2 0 235.10 24.23 0 2 0 329.57 20.40 0 -2 0 224.06 59.96 0 -2 0 384.16 23.77 0 2 1 771.40 68.55 0 -2 -1 874.30 72.23 0 2 2 2795.89 152.75 0 -2 -2 2650.20 172.38 0 -2 -2 2813.37 152.75 0 2 3 2516.47 145.38 0 2 3 1633.89 88.03 0 -2 -3 2203.92 128.05 0 -2 -3 1907.48 113.18 0 -2 -3 1743.54 92.63 0 2 4 432.17 40.33 0 2 4 261.63 22.08 0 2 4 368.06 24.23 0 -2 -4 266.69 23.16 0 -2 -4 382.78 21.01 0 -2 -4 284.48 20.09 0 2 5 657.76 72.69 0 2 5 771.09 45.70 0 -2 -5 826.60 65.18 0 -2 -5 485.07 59.50 0 -2 -5 765.72 45.24 0 2 6 57.51 10.43 0 2 6 27.76 11.04 0 -2 -6 98.00 28.22 0 -2 -6 49.38 9.66 0 -2 -6 22.54 10.74 0 2 7 32.05 30.67 0 2 7 47.85 9.97 0 2 7 8.43 12.58 0 -2 -7 28.83 27.45 0 -2 -7 20.09 8.28 0 -2 -7 9.35 12.58 0 2 8 86.80 34.81 0 2 8 6.75 14.26 0 2 8 95.08 12.58 0 2 8 56.28 17.48 0 -2 -8 119.01 36.65 0 -2 -8 101.52 13.34 0 -2 -8 56.74 17.48 0 2 9 15.49 31.90 0 2 9 32.82 32.82 0 2 9 10.89 9.05 0 2 9 40.18 104.44 0 2 9 3.99 18.40 0 -2 -9 63.49 9.81 0 -2 -9 18.40 32.97 0 -2 -9 10.12 23.16 0 -2 -9 9.05 9.66 0 -2 -9 7.51 18.25 0 2 10 212.71 17.94 0 2 10 197.53 48.92 0 2 10 140.63 39.26 0 2 10 287.09 25.15 0 2 10 359.47 55.06 0 2 10 172.84 28.52 0 -2 -10 258.26 51.99 0 -2 -10 145.84 38.65 0 -2 -10 285.09 25.61 0 -2 -10 167.16 27.76 0 2 11 32.21 41.87 0 2 11 5.52 27.76 0 2 11 28.22 12.88 0 2 11 189.55 54.75 0 2 11 32.05 24.84 0 2 11 18.25 8.89 0 -2 -11 30.37 38.49 0 -2 -11 21.47 29.29 0 -2 -11 30.98 13.65 0 -2 -11 18.56 23.00 0 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3.68 10.43 0 3 11 5.37 22.08 0 -3 -11 13.34 37.42 0 -3 -11 7.82 10.43 0 -3 -11 5.06 22.70 0 3 12 7.05 42.63 0 3 12 2.76 16.87 0 3 12 9.20 11.20 0 3 12 40.49 106.89 0 3 12 5.21 25.76 0 -3 -12 3.53 42.94 0 -3 -12 5.37 10.58 0 -3 -12 2.45 26.53 0 3 13 -0.61 39.11 0 3 13 2.45 26.84 0 3 13 4.91 11.04 0 3 13 119.77 48.46 0 3 13 1.23 30.52 0 -3 -13 2.61 15.34 0 -3 -13 6.29 45.55 0 -3 -13 4.29 36.65 0 -3 -13 4.14 11.96 0 -3 -13 1.99 29.60 0 3 14 4.14 42.79 0 3 14 9.66 25.00 0 3 14 -0.15 12.88 0 3 14 86.49 49.38 0 3 14 3.22 34.66 0 -3 -14 2.30 47.08 0 -3 -14 -0.77 23.62 0 -3 -14 -0.46 13.50 0 -3 -14 1.99 31.59 0 4 0 499.64 35.58 0 4 0 442.44 28.22 0 4 0 433.39 37.73 0 4 0 347.66 96.00 0 4 0 474.80 45.24 0 4 0 465.44 30.06 0 -4 0 371.44 134.65 0 -4 0 433.85 37.73 0 -4 0 411.62 97.23 0 -4 0 364.84 39.57 0 -4 0 562.67 36.96 0 4 1 897.92 56.59 0 4 1 864.64 59.35 0 4 1 871.23 107.96 0 4 1 1319.50 88.03 0 -4 -1 916.32 62.42 0 -4 -1 992.39 111.34 0 -4 -1 1273.03 85.88 0 4 2 540.28 88.03 0 -4 -2 702.23 89.71 0 4 3 367.14 70.85 0 -4 -3 436.77 65.64 0 4 4 905.43 79.13 0 -4 -4 2138.90 201.21 0 -4 -4 1325.48 144.77 0 -4 -4 1178.56 86.34 0 4 5 314.39 46.31 0 4 5 95.70 39.26 0 4 5 303.50 44.63 0 -4 -5 328.65 46.62 0 -4 -5 197.07 42.79 0 -4 -5 158.88 25.92 0 -4 -5 341.22 42.94 0 4 6 410.54 54.44 0 4 6 339.08 25.15 0 4 6 266.69 33.13 0 -4 -6 532.46 56.44 0 -4 -6 526.17 58.58 0 -4 -6 264.54 20.70 0 -4 -6 346.28 32.82 0 4 7 9.20 30.67 0 4 7 9.05 8.13 0 4 7 69.93 18.40 0 4 7 7.21 15.18 0 -4 -7 17.33 33.43 0 -4 -7 11.04 32.97 0 -4 -7 3.53 8.89 0 -4 -7 51.38 7.97 0 -4 -7 5.98 14.11 0 4 8 144.77 44.01 0 4 8 103.36 18.56 0 4 8 57.05 7.21 0 4 8 82.20 19.02 0 -4 -8 132.96 42.63 0 -4 -8 144.00 44.17 0 -4 -8 76.22 18.71 0 -4 -8 90.79 18.86 0 4 9 98.92 25.30 0 4 9 120.69 19.63 0 4 9 85.42 19.78 0 -4 -9 142.78 42.94 0 -4 -9 73.31 39.57 0 -4 -9 79.75 35.89 0 -4 -9 106.89 18.25 0 -4 -9 79.59 18.86 0 4 10 63.64 50.46 0 4 10 57.51 15.34 0 4 10 27.30 19.02 0 -4 -10 40.49 38.95 0 -4 -10 26.07 44.78 0 -4 -10 43.25 13.65 0 -4 -10 30.98 19.17 0 4 11 35.12 38.65 0 4 11 8.74 35.58 0 4 11 39.57 13.96 0 4 11 27.76 21.93 0 -4 -11 40.79 44.63 0 -4 -11 55.67 15.03 0 -4 -11 35.58 22.08 0 4 12 9.81 40.18 0 4 12 9.97 12.73 0 4 12 8.89 24.38 0 -4 -12 0.46 38.95 0 -4 -12 6.44 12.42 0 -4 -12 5.83 24.23 0 4 13 -0.92 42.48 0 4 13 0.00 12.88 0 4 13 1.69 28.68 0 -4 -13 5.37 46.16 0 -4 -13 0.77 12.12 0 -4 -13 4.45 28.22 0 4 14 2.15 48.77 0 4 14 5.98 13.19 0 4 14 0.77 33.89 0 -4 -14 2.61 44.78 0 -4 -14 3.68 12.27 0 -4 -14 5.67 34.05 0 5 0 121.46 20.24 0 5 0 67.48 9.97 0 5 0 93.86 23.92 0 5 0 161.03 102.44 0 5 0 38.19 30.06 0 5 0 73.61 11.35 0 -5 0 302.42 134.04 0 -5 0 117.93 24.08 0 -5 0 188.48 104.13 0 -5 0 139.25 32.21 0 -5 0 35.89 12.12 0 5 1 -12.12 34.20 0 5 1 185.87 19.17 0 5 1 134.34 25.76 0 5 1 224.82 97.69 0 5 1 193.23 37.27 0 5 1 279.57 33.28 0 -5 -1 141.09 27.30 0 -5 -1 287.24 98.76 0 -5 -1 175.44 35.58 0 5 2 26.07 34.66 0 5 2 140.63 90.64 0 -5 -2 34.05 25.15 0 -5 -2 110.88 81.59 0 5 3 138.64 81.74 0 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48.77 0 -5 -11 10.43 42.63 0 -5 -11 -0.92 21.93 0 -5 -11 3.83 15.80 0 -5 -11 4.14 20.55 0 5 12 23.31 27.76 0 5 12 8.59 15.80 0 5 12 7.36 23.77 0 -5 -12 18.71 83.43 0 -5 -12 5.52 51.53 0 -5 -12 32.21 41.10 0 -5 -12 9.51 13.96 0 -5 -12 3.53 23.31 0 5 13 6.90 37.73 0 5 13 24.84 16.26 0 5 13 25.30 27.91 0 -5 -13 11.04 47.54 0 -5 -13 21.32 14.72 0 -5 -13 17.02 28.37 0 5 14 5.98 53.06 0 5 14 0.92 13.65 0 5 14 -0.15 31.75 0 -5 -14 -1.69 49.84 0 -5 -14 2.61 14.42 0 -5 -14 2.91 32.21 0 6 0 156.43 25.92 0 6 0 119.47 13.80 0 6 0 100.60 26.68 0 6 0 108.42 111.49 0 6 0 74.69 34.81 0 6 0 102.44 13.65 0 -6 0 119.93 62.72 0 -6 0 161.49 25.30 0 -6 0 120.39 13.96 0 -6 0 99.53 26.22 0 -6 0 125.75 110.73 0 -6 0 103.67 36.19 0 -6 0 116.40 18.71 0 6 1 90.94 22.85 0 6 1 44.17 11.04 0 6 1 58.58 24.38 0 6 1 127.13 106.89 0 6 1 50.61 34.97 0 6 1 56.44 19.48 0 -6 -1 55.67 25.30 0 -6 -1 140.63 103.21 0 -6 -1 62.26 34.20 0 6 2 28.83 23.46 0 6 2 10.74 22.39 0 6 2 93.24 100.76 0 -6 -2 31.44 21.78 0 -6 -2 125.29 95.85 0 -6 -2 28.06 30.98 0 6 3 151.83 97.23 0 -6 -3 191.55 86.95 0 6 4 121.92 86.19 0 -6 -4 118.55 77.75 0 6 5 168.39 77.75 0 -6 -5 172.22 67.02 0 6 6 46.62 84.04 0 6 6 22.54 92.17 0 6 6 178.20 67.32 0 -6 -6 572.49 184.95 0 -6 -6 421.12 127.75 0 -6 -6 260.86 58.89 0 6 7 181.58 56.90 0 6 7 134.65 57.66 0 6 7 261.17 64.10 0 -6 -7 122.69 58.43 0 -6 -7 128.05 69.78 0 -6 -7 187.25 50.76 0 6 8 15.49 33.28 0 6 8 1.99 44.32 0 6 8 0.92 12.73 0 6 8 124.68 46.93 0 -6 -8 28.22 38.80 0 -6 -8 43.55 50.76 0 -6 -8 2.45 11.20 0 -6 -8 67.48 37.11 0 6 9 34.81 46.31 0 6 9 8.28 38.49 0 6 9 18.56 8.89 0 6 9 78.67 32.21 0 -6 -9 43.09 39.26 0 -6 -9 92.78 52.91 0 -6 -9 14.57 7.67 0 -6 -9 42.48 28.68 0 6 10 15.95 48.00 0 6 10 10.58 6.29 0 6 10 32.05 24.38 0 6 10 11.20 22.54 0 -6 -10 24.23 50.15 0 -6 -10 29.14 49.23 0 -6 -10 7.36 6.59 0 -6 -10 22.85 19.78 0 -6 -10 15.34 25.61 0 6 11 20.40 54.75 0 6 11 10.89 7.82 0 6 11 23.62 18.56 0 6 11 35.43 29.75 0 -6 -11 21.47 48.61 0 -6 -11 11.04 50.76 0 -6 -11 12.88 10.89 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11.96 -9 -5 -8 25.61 182.65 -9 -5 -8 7.36 32.97 -9 -5 -8 3.37 52.91 -9 -5 -8 -0.15 8.28 -9 -5 -8 1.99 4.29 -9 -5 -8 21.78 28.83 -9 -5 -8 0.46 9.20 -9 -5 -8 -7.67 107.50 -9 -5 -8 17.64 50.46 -9 -5 -8 4.60 12.58 -9 -5 -8 1.53 11.50 9 5 9 1.84 28.98 9 5 9 3.07 50.76 9 5 9 0.31 8.59 9 5 9 0.61 3.83 9 5 9 4.45 21.62 9 5 9 2.15 12.42 9 5 9 -4.29 55.52 9 5 9 1.99 12.73 -9 -5 -9 -1.69 140.02 -9 -5 -9 9.97 28.22 -9 -5 -9 6.13 55.52 -9 -5 -9 1.53 11.35 -9 -5 -9 2.30 4.29 -9 -5 -9 2.15 25.15 -9 -5 -9 0.92 8.89 -9 -5 -9 -2.30 51.22 -9 -5 -9 -0.31 10.74 -9 -5 -9 1.99 12.27 9 6 0 1.07 29.14 9 6 0 0.31 7.67 9 6 0 3.83 9.81 9 6 0 0.92 16.87 9 6 0 3.22 119.62 9 6 0 5.37 42.79 9 6 0 3.68 46.93 9 6 0 2.76 43.25 9 6 0 -0.77 43.25 9 6 0 -0.15 16.26 9 6 0 1.84 9.51 -9 -6 0 -2.30 29.14 -9 -6 0 1.69 7.21 -9 -6 0 4.45 9.05 -9 -6 0 1.07 14.72 -9 -6 0 1.69 119.31 -9 -6 0 -3.99 41.87 -9 -6 0 1.84 35.43 -9 -6 0 10.74 43.71 -9 -6 0 0.92 44.93 -9 -6 0 0.77 50.61 -9 -6 0 2.61 16.87 -9 -6 0 0.00 8.43 -9 -6 0 4.29 4.91 9 6 1 2.45 158.88 9 6 1 3.99 28.52 9 6 1 2.30 7.05 9 6 1 0.77 9.20 9 6 1 6.29 17.02 9 6 1 -1.69 103.21 9 6 1 1.84 33.89 9 6 1 2.91 44.01 9 6 1 17.18 42.94 9 6 1 1.84 9.97 -9 -6 -1 1.99 26.84 -9 -6 -1 1.07 7.97 -9 -6 -1 6.90 9.81 -9 -6 -1 1.07 14.11 -9 -6 -1 4.14 110.11 -9 -6 -1 1.84 57.51 -9 -6 -1 6.13 30.21 -9 -6 -1 1.38 54.75 -9 -6 -1 1.69 40.64 -9 -6 -1 7.67 45.70 -9 -6 -1 13.50 18.25 -9 -6 -1 3.53 9.81 9 6 2 -16.56 206.11 9 6 2 0.46 28.22 9 6 2 0.00 8.59 9 6 2 11.66 9.81 9 6 2 8.74 19.32 9 6 2 5.98 88.95 9 6 2 11.81 29.44 9 6 2 7.51 77.75 9 6 2 -5.06 42.79 9 6 2 2.15 11.20 -9 -6 -2 24.84 157.65 -9 -6 -2 2.30 9.66 -9 -6 -2 8.74 9.51 -9 -6 -2 1.69 14.57 -9 -6 -2 0.77 93.24 -9 -6 -2 0.77 26.68 -9 -6 -2 6.29 17.64 -9 -6 -2 0.92 9.81 9 6 3 20.40 126.06 9 6 3 1.07 27.76 9 6 3 -2.61 83.12 9 6 3 15.03 10.12 9 6 3 3.37 9.81 9 6 3 3.37 17.48 9 6 3 6.44 82.20 9 6 3 6.59 27.76 9 6 3 -2.91 44.01 9 6 3 5.52 13.04 9 6 3 45.09 11.20 -9 -6 -3 1.07 244.76 -9 -6 -3 0.61 30.83 -9 -6 -3 19.94 9.81 -9 -6 -3 5.06 9.05 -9 -6 -3 2.45 14.72 -9 -6 -3 7.05 86.65 -9 -6 -3 12.88 27.60 -9 -6 -3 1.99 14.26 -9 -6 -3 4.14 11.81 -9 -6 -3 42.94 12.58 -9 -6 -3 6.29 9.05 9 6 4 -8.89 87.41 9 6 4 7.67 28.22 9 6 4 5.98 16.41 9 6 4 3.83 8.89 9 6 4 5.83 9.51 9 6 4 16.10 17.94 9 6 4 16.41 75.61 9 6 4 3.53 29.14 9 6 4 18.56 48.15 9 6 4 5.98 13.80 9 6 4 74.38 19.94 9 6 4 3.99 7.97 9 6 4 26.07 13.04 -9 -6 -4 -6.29 91.56 -9 -6 -4 13.04 28.98 -9 -6 -4 11.04 13.96 -9 -6 -4 2.61 8.74 -9 -6 -4 15.49 4.75 -9 -6 -4 10.43 8.13 -9 -6 -4 15.03 15.95 -9 -6 -4 19.32 79.75 -9 -6 -4 9.35 32.36 -9 -6 -4 4.91 49.84 -9 -6 -4 4.45 13.50 -9 -6 -4 55.82 17.94 -9 -6 -4 4.14 8.74 -9 -6 -4 23.62 12.42 9 6 5 -4.45 92.48 9 6 5 3.07 28.06 9 6 5 0.46 10.43 9 6 5 1.07 9.51 9 6 5 5.21 3.99 9 6 5 5.21 7.67 9 6 5 1.99 17.79 9 6 5 6.29 70.09 9 6 5 -0.61 38.19 9 6 5 -5.21 48.15 9 6 5 0.46 13.50 9 6 5 2.30 19.32 9 6 5 1.99 9.05 9 6 5 1.69 19.32 -9 -6 -5 6.13 93.24 -9 -6 -5 0.77 30.06 -9 -6 -5 0.77 10.43 -9 -6 -5 3.22 10.58 -9 -6 -5 2.30 3.37 -9 -6 -5 2.91 7.21 -9 -6 -5 -0.15 15.34 -9 -6 -5 15.18 73.61 -9 -6 -5 0.77 45.39 -9 -6 -5 9.20 53.22 -9 -6 -5 -0.31 11.50 -9 -6 -5 4.91 17.33 -9 -6 -5 1.23 8.59 9 6 6 11.66 187.86 9 6 6 3.07 27.30 9 6 6 0.15 9.35 9 6 6 0.61 11.20 9 6 6 0.77 2.91 9 6 6 0.15 6.44 9 6 6 1.38 18.25 9 6 6 25.61 67.32 9 6 6 -0.15 54.29 9 6 6 2.61 51.68 9 6 6 7.97 13.80 9 6 6 5.52 23.16 9 6 6 1.84 10.43 -9 -6 -6 0.15 129.59 -9 -6 -6 3.68 31.44 -9 -6 -6 0.00 8.59 -9 -6 -6 1.38 11.50 -9 -6 -6 0.31 3.53 -9 -6 -6 0.92 5.37 -9 -6 -6 1.07 16.10 -9 -6 -6 18.40 70.70 -9 -6 -6 -3.68 67.48 -9 -6 -6 -3.07 53.68 -9 -6 -6 8.89 12.88 -9 -6 -6 -0.61 19.48 -9 -6 -6 1.69 9.81 9 6 7 12.42 171.15 9 6 7 6.29 32.67 9 6 7 0.77 30.21 9 6 7 11.04 8.28 9 6 7 -0.46 14.72 9 6 7 0.15 5.52 9 6 7 0.77 5.21 9 6 7 0.00 21.62 9 6 7 2.30 14.42 9 6 7 13.04 74.07 9 6 7 2.61 58.74 9 6 7 4.45 11.66 -9 -6 -7 15.64 197.07 -9 -6 -7 5.37 33.43 -9 -6 -7 10.12 8.28 -9 -6 -7 0.61 25.00 -9 -6 -7 3.37 7.05 -9 -6 -7 1.69 4.60 -9 -6 -7 0.77 16.41 -9 -6 -7 6.29 48.15 -9 -6 -7 7.21 88.18 -9 -6 -7 1.07 53.06 -9 -6 -7 0.00 12.88 -9 -6 -7 3.83 11.50 9 6 8 1.84 26.84 9 6 8 -1.38 32.21 9 6 8 0.15 6.90 9 6 8 2.15 30.67 9 6 8 0.31 7.97 9 6 8 1.53 4.45 9 6 8 6.90 27.45 9 6 8 7.82 111.80 9 6 8 14.88 58.89 9 6 8 7.97 13.19 -9 -6 -8 17.94 181.27 -9 -6 -8 9.35 28.83 -9 -6 -8 0.46 36.81 -9 -6 -8 2.15 6.59 -9 -6 -8 1.84 12.58 -9 -6 -8 7.05 4.75 -9 -6 -8 2.76 39.72 -9 -6 -8 0.00 16.26 -9 -6 -8 3.99 55.98 -9 -6 -8 2.91 12.27 9 6 9 16.10 22.24 9 6 9 7.82 36.19 9 6 9 4.29 5.98 9 6 9 7.36 4.60 9 6 9 6.13 30.37 9 6 9 5.21 61.80 9 6 9 8.74 14.57 -9 -6 -9 7.67 27.76 -9 -6 -9 7.97 43.86 -9 -6 -9 5.67 6.59 -9 -6 -9 7.36 6.59 -9 -6 -9 1.07 26.68 -9 -6 -9 -1.53 56.74 -9 -6 -9 10.12 14.11 9 7 1 13.19 250.74 9 7 1 6.59 27.14 9 7 1 3.99 9.35 9 7 1 24.69 10.43 9 7 1 12.42 24.38 9 7 1 11.20 99.68 9 7 1 22.08 30.67 9 7 1 -0.92 71.31 9 7 1 18.56 40.95 9 7 1 11.20 47.54 9 7 1 5.21 15.34 9 7 1 10.43 11.50 -9 -7 -1 7.67 10.43 -9 -7 -1 37.57 10.74 -9 -7 -1 9.35 22.70 -9 -7 -1 -8.74 108.73 -9 -7 -1 11.04 29.29 -9 -7 -1 11.96 53.37 -9 -7 -1 10.12 44.93 -9 -7 -1 8.89 45.24 -9 -7 -1 8.13 16.56 -9 -7 -1 6.90 10.43 9 7 2 24.38 154.59 9 7 2 11.96 29.14 9 7 2 12.12 10.74 9 7 2 4.29 8.89 9 7 2 1.69 25.46 9 7 2 2.30 87.72 9 7 2 5.83 29.29 9 7 2 4.60 41.87 9 7 2 -2.76 49.84 9 7 2 5.52 12.88 9 7 2 10.74 9.20 -9 -7 -2 39.11 256.26 -9 -7 -2 1.99 9.66 -9 -7 -2 4.45 9.20 -9 -7 -2 0.31 22.08 -9 -7 -2 4.75 92.78 -9 -7 -2 5.37 31.13 -9 -7 -2 3.99 44.47 -9 -7 -2 3.53 15.18 -9 -7 -2 5.06 11.20 -9 -7 -2 8.59 9.35 9 7 3 3.22 98.76 9 7 3 11.04 28.68 9 7 3 -0.15 9.20 9 7 3 7.36 9.51 9 7 3 -0.92 22.54 9 7 3 -7.21 78.52 9 7 3 -0.15 32.51 9 7 3 -1.23 40.03 9 7 3 0.92 45.09 9 7 3 0.92 15.64 9 7 3 2.15 7.51 9 7 3 1.69 8.74 -9 -7 -3 4.29 99.84 -9 -7 -3 4.60 9.51 -9 -7 -3 1.53 7.36 -9 -7 -3 1.07 7.51 -9 -7 -3 0.15 20.70 -9 -7 -3 3.53 83.43 -9 -7 -3 -6.90 35.89 -9 -7 -3 2.76 12.73 -9 -7 -3 2.45 12.58 -9 -7 -3 0.77 8.43 -9 -7 -3 2.76 11.35 9 7 4 -5.67 115.94 9 7 4 0.61 28.68 9 7 4 1.38 9.66 9 7 4 0.31 4.14 9 7 4 5.98 7.97 9 7 4 -1.84 73.46 9 7 4 4.29 42.94 9 7 4 -0.46 44.17 9 7 4 0.00 12.42 9 7 4 9.05 19.94 9 7 4 1.38 8.59 9 7 4 2.61 12.88 -9 -7 -4 8.13 90.48 -9 -7 -4 -0.77 28.52 -9 -7 -4 -2.30 50.76 -9 -7 -4 1.69 9.97 -9 -7 -4 3.22 4.14 -9 -7 -4 10.89 7.05 -9 -7 -4 -0.31 23.00 -9 -7 -4 4.60 75.45 -9 -7 -4 -4.14 47.39 -9 -7 -4 0.92 41.25 -9 -7 -4 3.37 13.19 -9 -7 -4 10.58 16.41 -9 -7 -4 2.15 7.97 -9 -7 -4 3.99 13.80 9 7 5 32.51 196.30 9 7 5 0.61 29.44 9 7 5 1.99 25.30 9 7 5 0.46 11.20 9 7 5 2.76 3.99 9 7 5 0.77 6.59 9 7 5 7.51 72.08 9 7 5 6.75 57.97 9 7 5 -1.23 43.71 9 7 5 4.60 22.54 9 7 5 3.53 9.97 9 7 5 3.83 22.08 -9 -7 -5 -0.77 123.61 -9 -7 -5 1.69 27.45 -9 -7 -5 -0.31 14.57 -9 -7 -5 4.91 12.27 -9 -7 -5 1.23 3.53 -9 -7 -5 3.07 5.37 -9 -7 -5 0.15 17.33 -9 -7 -5 5.98 71.31 -9 -7 -5 -0.15 68.40 -9 -7 -5 7.21 42.02 -9 -7 -5 1.84 13.50 -9 -7 -5 7.05 18.40 -9 -7 -5 0.77 9.35 9 7 6 10.89 193.39 9 7 6 1.53 28.37 9 7 6 3.22 13.04 9 7 6 2.15 12.27 9 7 6 0.61 3.22 9 7 6 0.46 5.37 9 7 6 1.23 73.77 9 7 6 6.44 41.56 9 7 6 5.06 26.99 9 7 6 5.67 11.35 -9 -7 -6 11.50 202.43 -9 -7 -6 0.46 27.45 -9 -7 -6 2.91 11.50 -9 -7 -6 2.61 13.50 -9 -7 -6 1.69 4.14 -9 -7 -6 4.45 5.06 -9 -7 -6 6.44 68.55 -9 -7 -6 23.00 85.42 -9 -7 -6 2.91 42.94 -9 -7 -6 5.98 22.70 -9 -7 -6 2.61 11.04 9 7 7 3.22 140.02 9 7 7 0.77 26.07 9 7 7 -2.30 28.37 9 7 7 0.77 10.58 9 7 7 0.61 17.02 9 7 7 -0.15 6.29 9 7 7 8.89 4.60 9 7 7 3.99 91.71 9 7 7 0.00 42.17 9 7 7 3.83 12.88 -9 -7 -7 4.14 190.01 -9 -7 -7 -6.59 34.35 -9 -7 -7 -1.53 27.14 -9 -7 -7 0.00 8.59 -9 -7 -7 1.38 27.76 -9 -7 -7 0.46 8.13 -9 -7 -7 2.15 4.91 -9 -7 -7 -0.92 46.47 -9 -7 -7 0.92 11.81 9 7 8 5.37 22.70 9 7 8 10.89 28.37 9 7 8 3.68 9.20 9 7 8 3.22 34.66 9 7 8 1.07 8.28 9 7 8 1.38 4.75 9 7 8 7.67 45.70 9 7 8 -1.69 13.65 -9 -7 -8 1.38 26.68 -9 -7 -8 6.59 27.91 -9 -7 -8 3.07 7.21 -9 -7 -8 10.28 25.46 -9 -7 -8 1.23 10.12 -9 -7 -8 5.67 6.90 -9 -7 -8 12.12 50.30 -9 -7 -8 1.84 13.50 9 8 3 14.11 109.50 9 8 3 -2.15 25.30 9 8 3 3.53 9.97 9 8 3 0.92 6.59 9 8 3 13.34 77.29 9 8 3 -2.45 46.77 9 8 3 2.30 39.41 9 8 3 -0.46 48.92 9 8 3 2.15 19.17 9 8 3 1.53 8.13 9 8 3 5.21 11.35 -9 -8 -3 7.82 102.90 -9 -8 -3 1.23 9.97 -9 -8 -3 9.20 5.06 -9 -8 -3 0.92 6.44 -9 -8 -3 4.60 84.65 -9 -8 -3 -2.76 60.42 -9 -8 -3 0.92 42.17 -9 -8 -3 0.92 14.11 -9 -8 -3 6.59 15.18 -9 -8 -3 1.23 7.36 -9 -8 -3 5.52 13.19 9 8 4 7.97 190.47 9 8 4 -0.92 25.15 9 8 4 5.06 11.04 9 8 4 1.23 4.29 9 8 4 2.91 5.98 9 8 4 -14.72 72.85 9 8 4 -1.84 63.80 9 8 4 0.31 41.41 9 8 4 -2.91 48.31 9 8 4 3.99 19.78 9 8 4 1.99 9.51 9 8 4 4.91 12.42 -9 -8 -4 3.07 128.21 -9 -8 -4 1.07 26.68 -9 -8 -4 0.46 11.96 -9 -8 -4 1.84 4.14 -9 -8 -4 2.15 5.52 -9 -8 -4 -5.06 76.83 -9 -8 -4 -5.06 72.39 -9 -8 -4 3.68 37.57 -9 -8 -4 2.91 49.07 -9 -8 -4 8.89 19.63 -9 -8 -4 0.92 9.35 -9 -8 -4 4.91 16.41 9 8 5 3.07 202.89 9 8 5 3.07 25.46 9 8 5 6.90 13.04 9 8 5 12.42 4.29 9 8 5 1.53 5.21 9 8 5 0.00 63.95 9 8 5 1.07 83.27 9 8 5 3.68 33.43 9 8 5 2.61 50.46 9 8 5 3.83 23.16 9 8 5 2.61 11.04 9 8 5 6.75 23.62 -9 -8 -5 1.99 247.83 -9 -8 -5 0.00 27.45 -9 -8 -5 -0.15 88.79 -9 -8 -5 14.57 13.65 -9 -8 -5 3.83 3.83 -9 -8 -5 0.00 4.45 -9 -8 -5 6.13 75.15 -9 -8 -5 -0.92 85.57 -9 -8 -5 5.37 46.62 -9 -8 -5 8.13 20.09 -9 -8 -5 3.68 10.58 9 8 6 -21.01 203.97 9 8 6 1.23 28.37 9 8 6 2.45 25.92 9 8 6 0.77 42.48 9 8 6 0.31 13.04 9 8 6 0.61 3.68 9 8 6 2.45 4.75 9 8 6 6.75 93.70 9 8 6 0.15 46.31 9 8 6 2.15 28.06 9 8 6 1.99 12.12 -9 -8 -6 1.99 201.51 -9 -8 -6 2.15 27.60 -9 -8 -6 1.53 17.18 -9 -8 -6 1.07 15.18 -9 -8 -6 1.53 5.06 -9 -8 -6 1.84 4.75 -9 -8 -6 20.86 140.78 -9 -8 -6 -3.68 44.63 -9 -8 -6 9.66 23.16 -9 -8 -6 2.45 11.66 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 88140 _olex2_submission_special_instructions 'No special instructions were received' 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 N14 N 0.9506(7) 0.3173(7) -0.0175(5) 0.0263(13) Uani 1 1 d . . . . . H14A H 0.843867 0.285049 0.020555 0.032 Uiso 1 1 calc R U . . . H14B H 0.947883 0.394509 -0.088200 0.032 Uiso 1 1 calc R U . . . N15 N 1.2803(7) 0.2961(7) -0.0289(5) 0.0256(13) Uani 1 1 d . . . . . H15A H 1.391018 0.249467 0.002065 0.031 Uiso 1 1 calc R U . . . H15B H 1.277000 0.373278 -0.099621 0.031 Uiso 1 1 calc R U . . . O17 O 0.3884(7) 0.8035(7) 0.8816(5) 0.0285(13) Uani 1 1 d . . . . . O11 O 0.5727(8) 0.4994(7) 0.8534(5) 0.0301(12) Uani 1 1 d . . . . . H11 H 0.537711 0.600108 0.849911 0.045 Uiso 1 1 calc R U . . . O13 O 1.1247(7) 0.1395(7) 0.1318(5) 0.0280(12) Uani 1 1 d . . . . . N18 N 0.5221(8) 0.9987(7) 0.7429(6) 0.0355(16) Uani 1 1 d . . . . . H18A H 0.640653 0.944226 0.760223 0.043 Uiso 1 1 calc R U . . . H18B H 0.504923 1.092609 0.687245 0.043 Uiso 1 1 calc R U . . . C5 C 0.7355(9) 0.3085(8) 0.7226(6) 0.0243(14) Uani 1 1 d . . . . . H5 H 0.739682 0.223950 0.798096 0.029 Uiso 1 1 calc R U . . . C4 C 0.6489(9) 0.4708(8) 0.7352(6) 0.0275(15) Uani 1 1 d . . . . . O8 O 0.8863(8) 0.4628(7) 0.2620(5) 0.0316(13) Uani 1 1 d . . . . . O9 O 0.9695(9) 0.2037(7) 0.3609(5) 0.0374(14) Uani 1 1 d . . . . . H9 H 1.018740 0.192053 0.284444 0.056 Uiso 1 1 calc R U . . . C16 C 0.3688(8) 0.9389(7) 0.8007(6) 0.0220(14) Uani 1 1 d . . . . . O10 O 0.7070(8) 0.6784(7) 0.3966(5) 0.0307(13) Uani 1 1 d . U . . . H10 H 0.754307 0.639058 0.329782 0.046 Uiso 1 1 calc R U . . . N19 N 0.1924(8) 1.0235(7) 0.7701(6) 0.0384(17) Uani 1 1 d . . . . . H19A H 0.088977 0.985776 0.805884 0.046 Uiso 1 1 calc R U . . . H19B H 0.179337 1.117131 0.714154 0.046 Uiso 1 1 calc R U . . . C7 C 0.8923(9) 0.3549(8) 0.3614(6) 0.0243(14) Uani 1 1 d . . . . . C12 C 1.1162(9) 0.2492(8) 0.0317(6) 0.0253(14) Uani 1 1 d . U . . . C2 C 0.7200(9) 0.5565(8) 0.5035(6) 0.0257(15) Uani 1 1 d . . . . . C6 C 0.8139(9) 0.2705(8) 0.6036(6) 0.0263(15) Uani 1 1 d . . . . . H6 H 0.872482 0.160022 0.597126 0.032 Uiso 1 1 calc R U . . . C3 C 0.6427(9) 0.5944(8) 0.6248(6) 0.0247(14) Uani 1 1 d . . . . . H3 H 0.585586 0.704592 0.632348 0.030 Uiso 1 1 calc R U . . . C1 C 0.8084(9) 0.3948(8) 0.4896(6) 0.0246(14) 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 N14 0.021(2) 0.034(3) 0.022(3) 0.005(2) -0.007(2) -0.013(2) N15 0.022(2) 0.028(3) 0.022(3) 0.008(2) -0.012(2) -0.004(2) O17 0.021(2) 0.028(3) 0.034(3) 0.004(2) -0.006(2) -0.0103(19) O11 0.035(3) 0.022(3) 0.027(3) 0.001(2) -0.004(2) -0.005(2) O13 0.027(2) 0.027(3) 0.023(3) 0.006(2) -0.005(2) -0.007(2) N18 0.024(3) 0.028(3) 0.043(4) 0.016(3) -0.009(2) -0.008(2) C5 0.031(3) 0.022(3) 0.018(3) 0.004(2) -0.010(2) -0.008(3) C4 0.031(3) 0.030(4) 0.019(3) -0.003(3) -0.011(3) -0.003(3) O8 0.033(3) 0.034(3) 0.021(3) 0.003(2) -0.007(2) -0.006(2) O9 0.055(4) 0.036(3) 0.015(2) -0.005(2) 0.002(2) -0.010(3) C16 0.024(3) 0.015(3) 0.023(3) 0.001(2) -0.006(2) -0.003(2) O10 0.036(3) 0.023(3) 0.023(3) 0.007(2) -0.006(2) -0.005(2) N19 0.030(3) 0.029(3) 0.046(4) 0.020(3) -0.014(3) -0.012(2) C7 0.028(3) 0.025(3) 0.016(3) 0.006(2) -0.001(2) -0.012(3) C12 0.022(3) 0.028(3) 0.025(3) 0.004(3) -0.006(2) -0.012(2) C2 0.023(3) 0.030(4) 0.024(3) 0.003(3) -0.006(2) -0.012(3) C6 0.029(3) 0.020(3) 0.027(3) -0.004(3) 0.002(3) -0.008(2) C3 0.028(3) 0.021(3) 0.021(3) -0.002(2) 0.000(2) -0.005(2) C1 0.026(3) 0.026(4) 0.023(3) -0.002(3) -0.005(2) -0.011(3) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0000 0.0000 '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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0000 0.0000 '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 H14A N14 H14B 120.0 . . C12 N14 H14A 120.0 . . C12 N14 H14B 120.0 . . H15A N15 H15B 120.0 . . C12 N15 H15A 120.0 . . C12 N15 H15B 120.0 . . C4 O11 H11 109.5 . . H18A N18 H18B 120.0 . . C16 N18 H18A 120.0 . . C16 N18 H18B 120.0 . . C4 C5 H5 119.5 . . C6 C5 H5 119.5 . . C6 C5 C4 121.0(6) . . O11 C4 C5 118.0(6) . . O11 C4 C3 122.5(6) . . C3 C4 C5 119.4(6) . . C7 O9 H9 109.5 . . O17 C16 N18 121.6(5) . . O17 C16 N19 120.2(5) . . N18 C16 N19 118.2(5) . . C2 O10 H10 109.5 . . C16 N19 H19A 120.0 . . C16 N19 H19B 120.0 . . H19A N19 H19B 120.0 . . O8 C7 O9 123.5(7) . . O8 C7 C1 120.8(6) . . O9 C7 C1 115.7(5) . . N14 C12 N15 119.7(5) . . O13 C12 N14 121.5(5) . . O13 C12 N15 118.8(5) . . O10 C2 C3 119.0(6) . . O10 C2 C1 119.7(6) . . C3 C2 C1 121.3(6) . . C5 C6 H6 119.8 . . C5 C6 C1 120.4(6) . . C1 C6 H6 119.8 . . C4 C3 H3 120.1 . . C2 C3 C4 119.9(6) . . C2 C3 H3 120.1 . . C2 C1 C7 121.3(5) . . C2 C1 C6 118.0(6) . . C6 C1 C7 120.7(6) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 N14 H14A 0.8800 . N14 H14B 0.8800 . N14 C12 1.331(8) . N15 H15A 0.8800 . N15 H15B 0.8800 . N15 C12 1.346(7) . O17 C16 1.272(7) . O11 H11 0.8400 . O11 C4 1.326(9) . O13 C12 1.248(7) . N18 H18A 0.8800 . N18 H18B 0.8800 . N18 C16 1.330(8) . C5 H5 0.9500 . C5 C4 1.405(9) . C5 C6 1.365(9) . C4 C3 1.389(8) . O8 C7 1.235(7) . O9 H9 0.8400 . O9 C7 1.279(9) . C16 N19 1.331(8) . O10 H10 0.8400 . O10 C2 1.356(7) . N19 H19A 0.8800 . N19 H19B 0.8800 . C7 C1 1.467(9) . C2 C3 1.386(9) . C2 C1 1.404(9) . C6 H6 0.9500 . C6 C1 1.419(8) . C3 H3 0.9500 . loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 O11 C4 C3 C2 -178.2(6) . . . . C5 C4 C3 C2 0.6(9) . . . . C5 C6 C1 C7 180.0(6) . . . . C5 C6 C1 C2 -0.1(9) . . . . C4 C5 C6 C1 -0.3(9) . . . . O8 C7 C1 C2 -0.5(9) . . . . O8 C7 C1 C6 179.4(6) . . . . O9 C7 C1 C2 179.7(6) . . . . O9 C7 C1 C6 -0.4(9) . . . . O10 C2 C3 C4 177.9(6) . . . . O10 C2 C1 C7 1.7(9) . . . . O10 C2 C1 C6 -178.2(5) . . . . C6 C5 C4 O11 179.0(6) . . . . C6 C5 C4 C3 0.1(9) . . . . C3 C2 C1 C7 -179.3(5) . . . . C3 C2 C1 C6 0.9(9) . . . . C1 C2 C3 C4 -1.1(9) . . . . loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code _cod_related_entry_description 1 XRDa 00390 DOI:10.51093/xrd-00390