#------------------------------------------------------------------------------ #$Date: 2023-03-21 01:33:29 +0200 (Tue, 21 Mar 2023) $ #$Revision: 281950 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/64/7246467.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_7246467 loop_ _publ_author_name 'Angevine, Devin J.' 'Mitchell, Travis B.' 'Zhang, Xiaotong' 'Benedict, Jason' _publ_section_title ; Unusual Single Crystal to Single Crystal Phase Transition of a Nicotine Salt Monitored Using Temperature Dependent Single Crystal X-ray Diffraction ; _journal_name_full CrystEngComm _journal_paper_doi 10.1039/D3CE00042G _journal_year 2023 _chemical_absolute_configuration rm _chemical_formula_moiety 'C10 H15 N2, C7 H5 O4' _chemical_formula_sum 'C17 H20 N2 O4' _chemical_formula_weight 316.35 _chemical_name_systematic 'Salt 7 (293 K)' _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2022-11-30 _audit_creation_method ; Olex2 1.5 (compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439) ; _audit_update_record ; 2022-12-28 deposited with the CCDC. 2023-03-17 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 108.980(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.7196(5) _cell_length_b 11.7045(7) _cell_length_c 9.4241(6) _cell_measurement_reflns_used 2974 _cell_measurement_temperature 293 _cell_measurement_theta_max 21.47 _cell_measurement_theta_min 2.29 _cell_volume 805.21(9) _computing_cell_refinement 'SAINT V8.38A (?, 2016)' _computing_data_reduction 'SAINT V8.38A (?, 2016)' _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 'XT (Sheldrick, 2015)' _diffrn_ambient_temperature 293.00 _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.993 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0290 _diffrn_reflns_av_unetI/netI 0.0248 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 16130 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.992 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 28.412 _diffrn_reflns_theta_min 2.285 _exptl_absorpt_coefficient_mu 0.094 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.6847 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1526 before and 0.0411 after correction. The Ratio of minimum to maximum transmission is 0.9182. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.305 _exptl_crystal_description block _exptl_crystal_F_000 336 _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.094 _refine_diff_density_min -0.130 _refine_diff_density_rms 0.027 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 219 _refine_ls_number_reflns 4019 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.0569 _refine_ls_R_factor_gt 0.0405 _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^)+(0.0563P)^2^+0.0145P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1007 _refine_ls_wR_factor_ref 0.1107 _reflns_Friedel_coverage 0.905 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 0.990 _reflns_number_gt 3041 _reflns_number_total 4019 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3ce00042g2.cif _cod_data_source_block HT_Salt _cod_database_code 7246467 _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, {H7A,H7B} of C7, {H9A,H9B} of C9, {H8A,H8B} of C8 At 1.5 times of: All C(H,H,H) groups, {H3A,H4} of C14 2.a Ternary CH refined with riding coordinates: C6(H6) 2.b Secondary CH2 refined with riding coordinates: C9(H9A,H9B), C7(H7A,H7B), C8(H8A,H8B) 2.c Aromatic/amide H refined with riding coordinates: C5(H5), C16(H16), C1(H1A), C3(H3), C2(H2), C15(H15), C14(H14) 2.d Idealised Me refined as rotating group: C10(H10A,H10B,H10C) ; _shelx_res_file ; TITL dja_111902_0m_a.res in P2(1) dja_111902_0m.res created by SHELXL-2018/3 at 13:46:48 on 30-Nov-2022 REM Old TITL DJA_111902_0m in P2(1) REM SHELXT solution in P2(1) REM R1 0.150, Rweak 0.049, Alpha 0.004, Orientation as input REM Flack x = 0.172 ( 0.411 ) from Parsons' quotients REM Formula found by SHELXT: C16 N4 O3 CELL 0.71073 7.7196 11.7045 9.4241 90 108.98 90 ZERR 2 0.0005 0.0007 0.0006 0 0.002 0 LATT -1 SYMM -X,0.5+Y,-Z SFAC C H N O UNIT 34 40 4 8 EQIV $1 1-X,-0.5+Y,1-Z EQIV $2 -X,-0.5+Y,-Z L.S. 25 PLAN 1 TEMP 19.85 CONF HTAB C7 O1_$1 HTAB C8 O4_$2 HTAB O3 O1 HTAB O4 O2 HTAB N1 O1 BOND $H list 4 MORE -1 fmap 2 53 acta REM REM REM WGHT 0.056300 0.014500 FVAR 1.28201 O1 4 0.463156 0.498242 0.289495 11.00000 0.05551 0.05542 = 0.05066 0.00996 0.01870 0.00108 N1 3 0.258016 0.428004 0.456818 11.00000 0.04167 0.05229 = 0.06430 0.01140 0.02309 0.00349 O2 4 0.200895 0.557561 0.128917 11.00000 0.04499 0.09103 = 0.09106 0.01857 0.00878 -0.00778 O3 4 0.765167 0.566017 0.269311 11.00000 0.04777 0.08492 = 0.09726 0.02764 0.02468 0.01545 C11 1 0.372047 0.556936 0.175947 11.00000 0.04980 0.04591 = 0.05009 -0.00008 0.01521 -0.00190 O4 4 0.198317 0.694471 -0.078264 11.00000 0.08635 0.11513 = 0.09323 0.04341 -0.02572 -0.00946 C4 1 0.562759 0.377602 0.649129 11.00000 0.05408 0.05136 = 0.04635 0.01076 0.01448 0.00121 C12 1 0.475624 0.626243 0.099489 11.00000 0.05699 0.04263 = 0.04233 -0.00210 0.01595 -0.00118 N2 3 0.874688 0.398879 0.652323 11.00000 0.05395 0.09534 = 0.07389 0.00940 0.01379 -0.00066 C5 1 0.700380 0.369932 0.584334 11.00000 0.05720 0.07434 = 0.04971 0.00487 0.01579 0.00228 AFIX 43 H5 2 0.668518 0.342639 0.486513 11.00000 -1.20000 AFIX 0 C13 1 0.666857 0.629597 0.151101 11.00000 0.05800 0.05059 = 0.06434 -0.00159 0.03156 0.00342 C6 1 0.369338 0.340178 0.567499 11.00000 0.05583 0.05795 = 0.05333 0.01710 0.02159 -0.00171 AFIX 13 H6 2 0.308281 0.326057 0.642168 11.00000 -1.20000 AFIX 0 C17 1 0.382163 0.693958 -0.025222 11.00000 0.08122 0.06367 = 0.05061 0.00869 0.00456 -0.00414 C16 1 0.477618 0.762913 -0.092934 11.00000 0.13596 0.06955 = 0.06237 0.01969 0.02766 -0.01103 AFIX 43 H16 2 0.415145 0.807019 -0.175879 11.00000 -1.20000 AFIX 0 C9 1 0.090617 0.364161 0.360075 11.00000 0.04280 0.07945 = 0.08188 0.01137 0.01259 -0.00597 AFIX 23 H9A 2 -0.012546 0.377140 0.395430 11.00000 -1.20000 H9B 2 0.057456 0.389167 0.256532 11.00000 -1.20000 AFIX 0 C1 1 0.916784 0.436632 0.791640 11.00000 0.06457 0.08248 = 0.07350 0.00041 -0.00253 -0.00697 AFIX 43 H1A 2 1.037827 0.456931 0.841548 11.00000 -1.20000 AFIX 0 C3 1 0.614451 0.418118 0.794375 11.00000 0.07680 0.08350 = 0.05264 -0.00104 0.02261 0.00643 AFIX 43 H3 2 0.528195 0.425479 0.843442 11.00000 -1.20000 AFIX 0 C7 1 0.342823 0.235697 0.467515 11.00000 0.07116 0.05068 = 0.08576 0.01218 0.00527 -0.00488 AFIX 23 H7A 2 0.420572 0.239379 0.404885 11.00000 -1.20000 H7B 2 0.370466 0.166288 0.526886 11.00000 -1.20000 AFIX 0 C10 1 0.215043 0.533666 0.523154 11.00000 0.06805 0.06656 = 0.10805 0.00018 0.04536 0.00953 AFIX 137 H10A 2 0.141613 0.515681 0.585094 11.00000 -1.50000 H10B 2 0.148714 0.584768 0.444582 11.00000 -1.50000 H10C 2 0.326765 0.569483 0.583065 11.00000 -1.50000 AFIX 0 C2 1 0.794078 0.447562 0.866244 11.00000 0.09323 0.09122 = 0.05658 -0.01542 0.00238 0.00064 AFIX 43 H2 2 0.830904 0.474531 0.964388 11.00000 -1.20000 AFIX 0 C15 1 0.664879 0.765817 -0.036996 11.00000 0.13799 0.07218 = 0.08207 0.00635 0.06934 -0.01707 AFIX 43 H15 2 0.728142 0.813956 -0.081481 11.00000 -1.20000 AFIX 0 C8 1 0.142880 0.239849 0.373295 11.00000 0.06813 0.07364 = 0.11155 0.01698 0.00111 -0.01426 AFIX 23 H8A 2 0.124818 0.207176 0.274932 11.00000 -1.20000 H8B 2 0.069272 0.197500 0.421337 11.00000 -1.20000 AFIX 0 C14 1 0.761728 0.700038 0.082363 11.00000 0.08033 0.07168 = 0.10062 -0.00132 0.05623 -0.00792 AFIX 43 H14 2 0.889072 0.702252 0.117202 11.00000 -1.20000 AFIX 0 H3A 2 0.679466 0.526605 0.299232 11.00000 -1.50000 H4 2 0.154911 0.644270 -0.009929 11.00000 -1.50000 H1 2 0.325138 0.447279 0.398120 11.00000 0.06756 HKLF 4 REM dja_111902_0m_a.res in P2(1) REM wR2 = 0.1107, GooF = S = 1.045, Restrained GooF = 1.045 for all data REM R1 = 0.0405 for 3041 Fo > 4sig(Fo) and 0.0569 for all 4019 data REM 219 parameters refined using 1 restraints END WGHT 0.0563 0.0145 REM Highest difference peak 0.094, deepest hole -0.130, 1-sigma level 0.027 Q1 1 0.2952 0.3588 0.6249 11.00000 0.05 0.09 ; _shelx_res_checksum 57506 _shelx_hkl_file ; -1 0 0 3042.00 49.20 -1 0 0 3029.80 49.00 1 0 0 2961.90 50.59 1 0 0 2992.80 48.70 1 0 0 2984.20 48.80 1 0 0 3005.40 49.20 -1 0 0 2991.10 51.39 -1 0 0 3034.70 48.90 -1 0 0 3007.90 48.80 2 0 0 3006.10 49.10 2 0 0 2974.80 49.00 -2 0 0 3006.60 49.99 -2 0 0 2979.70 50.99 -2 0 0 2952.60 49.40 2 0 0 3013.10 49.80 -3 0 0 464.65 12.80 -3 0 0 477.15 12.10 3 0 0 469.95 10.70 -3 0 0 464.45 9.60 3 0 0 477.05 9.80 3 0 0 464.45 9.10 4 0 0 9.90 1.80 4 0 0 11.30 1.50 -4 0 0 10.90 1.50 -4 0 0 8.10 2.40 -4 0 0 8.80 2.60 5 0 0 18.00 2.70 -5 0 0 21.10 2.30 -5 0 0 19.30 3.70 -5 0 0 33.80 5.20 5 0 0 17.50 2.10 -6 0 0 17.30 4.20 6 0 0 16.50 2.20 -6 0 0 13.30 4.00 -6 0 0 14.90 2.00 6 0 0 15.00 2.70 7 0 0 91.49 5.90 7 0 0 99.79 4.90 -7 0 0 107.59 10.40 -7 0 0 90.29 9.90 -8 0 0 6.50 3.80 8 0 0 6.10 1.80 8 0 0 4.10 2.10 -8 0 0 11.60 4.50 9 0 0 5.60 2.70 -9 0 0 9.00 4.60 -9 0 0 16.40 5.80 0 -1 0 0.50 0.30 0 -1 0 0.00 0.20 0 -1 0 0.20 0.20 0 1 0 0.00 0.10 0 1 0 0.00 0.10 0 1 0 0.30 0.20 0 1 0 0.10 0.20 1 -1 0 240.98 4.60 -1 -1 0 240.88 5.40 -1 -1 0 225.98 4.90 -1 -1 0 242.78 6.40 1 -1 0 241.08 5.10 1 -1 0 248.88 5.40 1 -1 0 234.18 4.80 -1 -1 0 248.08 6.20 -1 -1 0 246.08 4.10 1 1 0 239.48 5.00 -1 1 0 244.68 4.90 -1 1 0 240.58 4.70 -1 1 0 247.68 4.90 1 1 0 234.78 6.10 1 1 0 247.08 4.10 -1 1 0 235.28 5.40 1 1 0 244.28 5.30 -2 -1 0 69.29 3.80 -2 -1 0 62.29 2.60 2 -1 0 60.59 2.50 2 -1 0 64.89 2.60 -2 -1 0 64.09 2.00 -2 -1 0 61.79 3.60 -2 1 0 65.69 1.90 -2 1 0 61.79 2.60 2 1 0 62.29 2.60 2 1 0 63.09 2.60 2 1 0 66.09 1.90 -2 1 0 64.29 2.00 -2 1 0 62.59 3.30 -3 -1 0 122.19 4.20 3 -1 0 123.99 4.30 3 -1 0 115.59 4.30 -3 -1 0 129.79 6.20 -3 -1 0 106.89 5.80 -3 1 0 123.09 3.50 -3 1 0 130.99 5.90 3 1 0 122.19 3.50 3 1 0 119.79 4.40 -3 1 0 119.69 3.10 -3 1 0 123.79 4.80 -4 -1 0 894.91 22.40 4 -1 0 843.72 17.90 4 -1 0 850.01 17.30 -4 -1 0 841.22 17.10 -4 -1 0 884.41 21.80 4 1 0 878.91 18.20 -4 1 0 858.91 21.30 -4 1 0 858.01 19.40 4 1 0 865.91 16.10 -4 1 0 870.41 16.20 -5 -1 0 39.90 3.40 5 -1 0 45.00 4.00 -5 -1 0 40.70 5.50 5 -1 0 41.00 3.40 -5 -1 0 31.40 5.00 -5 1 0 45.70 5.70 -5 1 0 37.90 2.40 -5 1 0 45.20 5.20 5 1 0 38.80 2.40 5 1 0 41.90 3.90 -6 -1 0 22.60 2.70 -6 -1 0 23.10 4.90 6 -1 0 22.90 3.40 6 -1 0 19.30 2.60 -6 -1 0 18.60 4.40 6 1 0 16.10 2.80 6 1 0 18.60 2.20 -6 1 0 13.80 3.80 -6 1 0 21.40 2.20 -6 1 0 18.90 4.10 7 -1 0 18.70 3.40 -7 -1 0 26.40 6.00 -7 -1 0 26.50 5.80 7 -1 0 24.00 3.00 7 1 0 24.00 3.70 -7 1 0 20.70 4.60 7 1 0 21.70 2.60 -7 1 0 22.90 5.50 -8 -1 0 9.10 4.60 8 -1 0 12.60 3.10 8 -1 0 8.80 2.10 -8 -1 0 12.70 4.80 -8 1 0 7.70 4.00 -8 1 0 14.80 4.90 8 1 0 17.50 3.50 -9 -1 0 2.40 4.10 9 -1 0 5.20 2.40 -9 -1 0 2.40 3.50 -9 1 0 -0.10 3.10 9 1 0 9.80 3.10 -9 1 0 7.10 3.90 0 -2 0 397.46 7.40 0 -2 0 420.36 8.30 0 -2 0 413.56 7.70 0 2 0 420.16 7.70 0 2 0 417.86 8.40 0 2 0 423.16 7.60 0 2 0 445.46 9.40 -1 -2 0 330.37 5.50 1 -2 0 334.07 6.20 1 -2 0 329.87 7.10 1 -2 0 325.67 6.90 -1 -2 0 335.47 8.10 -1 -2 0 339.07 6.60 -1 -2 0 314.17 7.80 1 2 0 333.57 6.50 -1 2 0 334.37 7.20 -1 2 0 331.17 6.20 1 2 0 336.17 6.50 1 2 0 332.17 5.60 -1 2 0 334.67 6.60 -1 2 0 342.77 7.80 -2 -2 0 703.73 14.60 -2 -2 0 689.83 16.80 2 -2 0 718.23 14.10 2 -2 0 713.43 12.90 2 -2 0 716.43 13.40 -2 -2 0 719.13 16.30 -2 2 0 724.73 13.50 2 2 0 704.53 13.60 -2 2 0 728.23 13.50 2 2 0 721.83 11.70 -2 2 0 716.73 14.90 2 2 0 729.03 11.70 -3 -2 0 568.04 13.00 3 -2 0 585.14 12.40 -3 -2 0 595.24 15.80 -3 -2 0 580.94 10.60 3 -2 0 588.84 12.70 -3 -2 0 574.94 16.10 3 2 0 588.04 10.40 3 2 0 579.44 12.60 -3 2 0 586.64 12.50 -3 2 0 578.54 11.00 -3 2 0 578.24 14.40 -4 -2 0 501.35 16.40 -4 -2 0 564.74 16.70 4 -2 0 547.25 12.60 4 -2 0 555.34 12.80 -4 -2 0 538.35 12.90 -4 2 0 536.55 15.40 4 2 0 550.24 12.90 -4 2 0 527.95 10.80 4 2 0 533.15 10.40 -4 2 0 549.45 13.30 -5 -2 0 245.38 11.50 5 -2 0 231.08 8.00 -5 -2 0 231.38 7.80 -5 -2 0 237.08 11.70 5 -2 0 250.87 7.90 -5 2 0 257.77 11.10 -5 2 0 232.28 6.40 5 2 0 234.68 6.00 5 2 0 245.48 8.30 -5 2 0 231.38 9.00 6 -2 0 129.89 5.80 6 -2 0 124.99 6.10 -6 -2 0 130.19 5.80 -6 -2 0 129.39 11.50 -6 -2 0 123.39 10.80 -6 2 0 146.59 9.40 6 2 0 122.19 6.30 6 2 0 116.79 4.20 -6 2 0 94.99 8.00 -6 2 0 119.39 4.40 7 -2 0 59.19 5.50 -7 -2 0 66.79 9.10 -7 -2 0 55.99 8.10 7 -2 0 49.60 4.60 7 2 0 57.69 5.70 7 2 0 52.29 3.00 -7 2 0 60.29 7.40 -7 2 0 60.19 8.30 8 -2 0 0.90 1.40 -8 -2 0 -1.10 2.30 8 -2 0 0.50 1.50 -8 -2 0 0.50 3.00 -8 2 0 -2.00 1.90 -8 2 0 -0.50 2.30 8 2 0 0.30 1.50 9 -2 0 1.00 1.50 9 -2 0 3.00 2.30 -9 -2 0 -0.80 3.80 -9 -2 0 1.30 3.10 -9 2 0 1.70 3.40 -9 2 0 4.10 3.90 9 2 0 0.50 1.70 0 -3 0 0.40 0.70 0 -3 0 0.60 0.50 0 -3 0 0.20 0.20 0 -3 0 -0.30 0.70 0 3 0 0.10 0.10 0 3 0 -0.20 0.40 1 -3 0 2517.05 40.90 -1 -3 0 2530.35 41.00 1 -3 0 2494.45 42.20 1 -3 0 2511.05 41.90 -1 -3 0 2529.85 41.30 -1 -3 0 2518.55 43.40 -1 -3 0 2509.55 43.30 1 -3 0 2526.05 40.80 1 3 0 2557.34 41.90 -1 3 0 2518.55 41.10 -1 3 0 2537.55 42.10 1 3 0 2457.55 41.10 1 3 0 2528.85 40.20 -2 -3 0 170.78 6.10 -2 -3 0 167.18 6.60 2 -3 0 160.48 4.70 2 -3 0 173.18 5.30 2 -3 0 160.48 4.30 -2 3 0 165.78 5.60 2 3 0 165.78 4.60 2 3 0 159.78 4.60 -2 3 0 158.08 4.60 3 -3 0 582.04 12.20 -3 -3 0 572.54 13.90 3 -3 0 578.44 11.40 -3 -3 0 573.74 16.90 -3 -3 0 569.54 15.80 3 -3 0 605.24 13.20 3 3 0 567.64 12.50 -3 3 0 587.84 12.50 3 3 0 577.34 9.50 -3 3 0 562.14 14.30 3 3 0 588.14 9.50 -4 -3 0 59.69 6.70 4 -3 0 76.39 4.00 4 -3 0 71.59 3.70 -4 -3 0 68.09 4.30 -4 -3 0 70.29 6.90 -4 3 0 74.39 4.00 4 3 0 74.39 3.90 -4 3 0 61.09 5.60 4 3 0 70.39 2.10 -4 3 0 71.39 3.00 -5 -3 0 144.69 6.50 -5 -3 0 150.48 9.70 -5 -3 0 151.88 9.20 5 -3 0 154.38 6.20 5 -3 0 143.79 6.10 -5 3 0 145.89 8.40 -5 3 0 159.58 5.00 5 3 0 148.39 6.40 5 3 0 150.68 3.90 -5 3 0 150.48 6.70 -6 -3 0 29.00 5.60 6 -3 0 26.20 3.40 -6 -3 0 37.70 4.20 -6 -3 0 33.30 6.40 6 -3 0 29.60 3.60 -6 3 0 35.00 4.60 -6 3 0 40.20 3.10 6 3 0 30.20 4.00 -6 3 0 38.30 6.00 6 3 0 33.90 1.90 -7 -3 0 30.60 6.50 -7 -3 0 39.50 6.80 7 -3 0 38.00 4.30 7 -3 0 26.30 3.80 7 3 0 28.10 4.10 -7 3 0 36.00 5.70 -7 3 0 27.60 5.70 -8 -3 0 3.30 3.80 8 -3 0 -0.70 1.40 8 -3 0 -0.50 1.40 -8 -3 0 -1.30 2.50 -8 3 0 2.80 3.00 8 3 0 -0.50 1.40 -8 3 0 7.30 4.00 -9 -3 0 -2.30 2.50 9 -3 0 -1.40 1.40 9 -3 0 -0.20 1.90 -9 -3 0 -1.40 3.10 9 3 0 2.90 2.30 -9 3 0 0.80 3.50 -9 3 0 4.40 4.00 0 -4 0 504.75 11.20 0 -4 0 509.55 8.10 0 -4 0 499.35 11.80 0 -4 0 495.15 10.00 0 4 0 509.15 9.90 -1 -4 0 217.48 7.10 -1 -4 0 212.18 7.10 1 -4 0 214.08 4.40 1 -4 0 214.68 6.00 1 -4 0 213.78 4.10 1 -4 0 218.78 6.50 -1 -4 0 214.48 4.60 -1 4 0 219.78 5.40 1 4 0 228.58 5.30 -1 4 0 202.88 6.10 1 4 0 208.58 4.60 1 4 0 214.38 5.20 2 -4 0 34.00 1.70 2 -4 0 35.30 2.90 -2 -4 0 41.90 3.90 -2 -4 0 39.20 3.90 2 -4 0 37.40 2.80 -2 -4 0 35.30 1.10 2 4 0 38.10 2.10 -2 4 0 30.80 2.90 2 4 0 35.00 2.00 2 4 0 32.50 1.10 -2 4 0 33.30 2.00 -3 -4 0 165.18 6.90 3 -4 0 158.88 5.10 -3 -4 0 164.28 7.70 3 -4 0 158.58 5.00 3 -4 0 153.38 5.80 -3 4 0 163.58 6.70 3 4 0 158.88 5.20 -3 4 0 170.38 5.50 3 4 0 160.78 5.40 -4 -4 0 43.10 5.40 -4 -4 0 48.30 4.50 4 -4 0 52.69 3.20 4 -4 0 62.69 3.80 4 -4 0 51.19 2.60 4 4 0 59.99 3.60 4 4 0 56.09 3.10 -4 4 0 51.09 4.00 -4 4 0 54.49 5.20 -5 -4 0 63.09 7.20 5 -4 0 65.79 4.00 -5 -4 0 55.49 7.30 -5 -4 0 66.79 5.70 5 -4 0 65.89 4.30 -5 4 0 63.19 3.20 -5 4 0 68.49 4.30 5 4 0 63.09 5.00 -5 4 0 54.59 6.30 -6 -4 0 17.40 3.10 -6 -4 0 24.90 5.20 6 -4 0 17.70 3.10 -6 -4 0 8.60 3.80 6 -4 0 18.50 2.90 -6 4 0 28.60 2.70 6 4 0 15.20 3.00 -6 4 0 19.10 3.40 -6 4 0 20.70 4.70 -7 -4 0 25.20 5.80 7 -4 0 19.30 3.20 7 -4 0 20.20 3.40 -7 -4 0 19.20 3.40 7 4 0 20.70 3.50 -7 4 0 24.20 4.40 -7 4 0 23.30 5.20 -8 -4 0 1.20 2.80 8 -4 0 1.90 1.80 8 -4 0 0.60 1.50 -8 4 0 2.10 3.40 -8 4 0 4.00 3.00 8 4 0 1.60 1.70 8 4 0 0.60 1.20 9 -4 0 1.10 1.80 -9 -4 0 0.90 3.20 9 -4 0 0.70 1.90 9 4 0 1.60 1.70 9 4 0 1.60 2.40 -9 4 0 -1.60 2.50 -9 4 0 -1.50 2.80 0 -5 0 0.30 0.60 0 -5 0 0.50 0.90 0 5 0 0.20 0.50 0 5 0 0.50 0.80 1 -5 0 404.36 9.70 1 -5 0 401.96 6.90 -1 -5 0 408.76 11.40 1 -5 0 410.06 7.00 -1 -5 0 395.86 8.10 1 -5 0 416.56 10.70 -1 -5 0 418.16 11.30 -1 5 0 417.96 10.20 -1 5 0 411.06 9.00 1 5 0 415.86 8.90 1 5 0 404.46 7.70 2 -5 0 207.68 4.90 -2 -5 0 209.68 4.20 -2 -5 0 198.98 7.80 -2 -5 0 215.68 8.20 2 -5 0 217.28 6.90 2 -5 0 207.78 6.80 2 5 0 214.48 5.50 2 5 0 214.88 5.80 -2 5 0 208.78 6.00 2 5 0 210.58 4.60 -2 5 0 218.58 7.20 3 -5 0 292.57 8.90 3 -5 0 292.97 8.20 -3 -5 0 304.97 11.10 3 -5 0 291.47 7.20 -3 -5 0 278.07 9.80 -3 5 0 298.37 9.70 3 5 0 285.37 7.70 -3 5 0 281.87 7.90 3 5 0 303.57 7.90 4 -5 0 55.99 4.60 -4 -5 0 58.49 6.30 4 -5 0 58.09 3.10 -4 -5 0 60.79 5.40 4 -5 0 62.49 3.40 4 5 0 58.29 3.40 4 5 0 59.09 3.60 -4 5 0 68.19 6.10 -4 5 0 63.89 3.70 -5 -5 0 40.80 6.00 -5 -5 0 47.20 4.90 5 -5 0 50.29 4.20 5 -5 0 49.20 4.60 5 5 0 48.70 4.40 -5 5 0 40.80 4.10 5 5 0 41.50 3.80 -5 5 0 38.80 5.20 -5 5 0 47.70 3.00 6 -5 0 117.49 6.40 6 -5 0 120.69 5.90 -6 -5 0 118.59 11.10 -6 -5 0 101.69 6.30 -6 5 0 125.79 10.90 6 5 0 114.29 5.60 6 5 0 115.59 6.20 -6 5 0 106.69 4.60 -6 5 0 124.09 6.70 7 -5 0 1.20 1.50 -7 -5 0 -1.20 1.30 -7 -5 0 3.00 2.70 7 -5 0 3.30 1.90 7 5 0 2.00 1.90 -7 5 0 5.40 2.60 -7 5 0 3.10 2.70 7 5 0 1.90 1.70 8 -5 0 6.40 2.40 -8 -5 0 8.00 4.10 8 -5 0 8.60 2.60 8 5 0 10.80 2.90 8 5 0 8.90 2.40 -8 5 0 14.10 4.20 -8 5 0 12.00 4.30 9 -5 0 7.30 2.80 -9 -5 0 1.10 3.20 9 -5 0 10.10 3.20 -9 5 0 10.80 4.60 9 5 0 10.30 3.20 9 5 0 8.90 2.60 -9 5 0 13.00 5.50 0 -6 0 1883.81 35.80 0 -6 0 1884.91 32.60 0 6 0 1792.52 33.70 0 6 0 1895.91 32.50 -1 -6 0 123.69 5.90 1 -6 0 129.39 4.90 -1 -6 0 131.79 6.40 -1 -6 0 124.19 3.80 1 -6 0 128.09 5.80 -1 6 0 130.99 5.40 -1 6 0 128.59 4.50 1 6 0 127.89 4.40 1 6 0 127.69 3.10 2 -6 0 525.55 12.70 -2 -6 0 517.15 9.40 -2 -6 0 516.15 14.50 -2 -6 0 490.85 14.40 2 -6 0 516.35 12.90 2 -6 0 516.75 9.60 -2 6 0 498.95 13.00 2 6 0 521.45 10.50 2 6 0 498.05 11.20 -2 6 0 510.55 11.60 3 -6 0 9.90 2.00 -3 -6 0 9.80 2.40 -3 -6 0 12.80 2.90 3 -6 0 9.10 1.30 3 -6 0 9.10 1.80 3 6 0 13.70 1.90 -3 6 0 8.50 2.20 -3 6 0 8.30 1.60 3 6 0 8.60 1.50 4 -6 0 27.90 3.70 -4 -6 0 21.80 4.10 4 -6 0 23.80 2.70 -4 -6 0 19.60 3.40 4 -6 0 19.10 2.30 -4 6 0 25.50 3.00 4 6 0 19.70 2.50 4 6 0 22.00 2.60 -4 6 0 21.70 3.70 5 -6 0 72.19 3.90 5 -6 0 73.29 6.00 -5 -6 0 88.09 8.80 -5 -6 0 74.29 6.70 5 -6 0 72.19 4.20 5 6 0 77.29 4.40 -5 6 0 91.89 8.20 -5 6 0 72.39 4.70 5 6 0 67.19 4.40 -6 -6 0 25.00 5.40 6 -6 0 27.80 4.10 -6 -6 0 20.20 3.60 6 -6 0 28.80 3.60 6 6 0 26.40 3.30 6 6 0 22.80 3.40 -6 6 0 17.50 4.70 -6 6 0 26.80 3.90 -6 6 0 22.90 2.80 -7 -6 0 0.00 2.30 7 -6 0 3.50 1.80 7 -6 0 3.30 1.90 -7 -6 0 0.70 1.70 7 6 0 -1.50 1.30 -7 6 0 -1.10 2.70 7 6 0 1.00 1.40 -7 6 0 -0.80 1.70 -8 -6 0 5.30 4.20 8 -6 0 7.00 2.60 8 -6 0 8.60 2.70 8 6 0 2.70 2.00 -8 6 0 0.90 2.50 8 6 0 7.70 2.80 -8 6 0 2.10 3.20 -9 -6 0 0.60 3.50 -9 6 0 0.70 2.80 0 -7 0 -0.20 0.70 0 -7 0 2.00 1.40 0 7 0 -0.80 0.70 0 7 0 0.40 1.10 1 -7 0 179.98 6.40 1 -7 0 195.08 7.80 -1 -7 0 192.28 7.70 -1 -7 0 186.58 8.20 -1 -7 0 179.38 5.20 -1 7 0 173.98 6.80 1 7 0 178.28 3.90 -1 7 0 180.18 5.90 1 7 0 182.88 5.80 2 -7 0 110.69 2.90 2 -7 0 114.99 5.30 2 -7 0 107.69 3.50 2 -7 0 114.49 5.70 -2 -7 0 128.89 6.90 -2 -7 0 109.29 3.20 -2 -7 0 130.69 7.00 2 7 0 113.29 4.50 2 7 0 111.99 3.60 -2 7 0 116.49 5.70 -2 7 0 106.89 4.60 3 -7 0 133.49 6.20 -3 -7 0 141.29 7.80 -3 -7 0 126.69 2.90 3 -7 0 146.19 6.20 3 -7 0 126.69 4.10 -3 -7 0 125.19 7.10 -3 7 0 132.29 6.70 3 7 0 132.89 4.80 3 7 0 125.39 3.10 -3 7 0 134.59 5.50 3 7 0 137.89 5.20 -4 -7 0 19.30 4.00 4 -7 0 13.20 2.70 4 -7 0 22.10 2.30 4 -7 0 18.50 2.70 -4 -7 0 17.90 3.60 4 7 0 17.60 2.50 -4 7 0 17.90 2.70 -4 7 0 17.90 3.50 4 7 0 28.10 3.10 5 -7 0 64.89 4.00 5 -7 0 62.99 3.80 -5 -7 0 62.49 7.50 5 -7 0 62.19 5.70 -5 -7 0 63.69 6.40 -5 7 0 65.89 5.40 5 7 0 51.09 4.30 5 7 0 55.09 4.70 -5 7 0 71.29 7.30 6 -7 0 36.70 4.60 -6 -7 0 44.40 7.00 -6 -7 0 37.50 5.30 6 -7 0 47.90 4.40 -6 7 0 39.50 6.40 -6 7 0 41.70 4.80 6 7 0 38.80 4.40 6 7 0 46.20 4.40 -6 7 0 59.29 5.10 7 -7 0 2.40 1.80 -7 -7 0 3.50 2.30 7 -7 0 1.70 1.80 -7 -7 0 -1.10 1.90 -7 7 0 4.30 3.10 7 7 0 1.70 1.70 -7 7 0 1.90 2.10 7 7 0 3.20 1.70 8 -7 0 18.30 3.80 8 -7 0 16.70 3.40 -8 -7 0 8.40 4.20 8 7 0 10.80 2.80 -8 7 0 12.60 3.90 -8 7 0 14.20 5.10 8 7 0 16.30 3.60 0 -8 0 3.00 1.90 0 -8 0 1.90 0.90 0 8 0 2.60 1.50 0 8 0 3.50 1.20 -1 -8 0 193.88 8.80 -1 -8 0 184.28 5.60 1 -8 0 172.18 6.60 -1 -8 0 178.28 7.80 1 -8 0 175.58 8.00 1 8 0 188.68 5.20 -1 8 0 181.08 7.50 -1 8 0 207.48 6.60 1 8 0 193.98 6.40 1 8 0 180.58 3.90 2 -8 0 435.76 7.60 2 -8 0 441.56 12.40 -2 -8 0 455.85 14.70 2 -8 0 465.35 13.40 2 -8 0 441.56 7.50 -2 -8 0 446.46 9.20 -2 -8 0 445.36 14.40 2 8 0 438.86 9.20 -2 8 0 444.16 11.40 2 8 0 446.96 11.20 -2 8 0 458.75 13.20 -3 -8 0 6.50 2.50 -3 -8 0 7.50 2.70 3 -8 0 4.50 0.90 3 -8 0 5.70 1.90 -3 -8 0 6.20 0.80 3 -8 0 9.00 2.20 -3 8 0 6.30 1.80 3 8 0 7.40 1.40 3 8 0 6.60 1.60 -3 8 0 3.30 1.80 4 -8 0 10.80 2.40 4 -8 0 9.80 1.70 -4 -8 0 12.50 3.40 -4 -8 0 6.40 2.60 4 -8 0 7.80 2.20 4 8 0 12.20 2.10 4 8 0 9.80 1.90 -4 8 0 11.60 3.10 -4 8 0 9.70 2.10 -5 -8 0 144.59 8.50 5 -8 0 140.59 5.70 5 -8 0 152.18 6.60 -5 -8 0 152.38 9.80 5 -8 0 143.09 7.60 5 8 0 146.99 6.40 -5 8 0 153.58 7.00 -5 8 0 149.99 9.10 5 8 0 139.39 6.30 6 -8 0 35.80 3.80 -6 -8 0 42.00 6.80 -6 -8 0 42.40 5.70 6 -8 0 35.40 4.90 -6 8 0 28.30 5.40 6 8 0 31.10 3.70 -6 8 0 37.20 4.70 6 8 0 35.60 4.20 7 -8 0 11.50 3.20 -7 -8 0 14.50 3.70 -7 -8 0 15.40 5.00 7 -8 0 17.70 3.10 -7 8 0 14.10 4.60 -7 8 0 14.40 3.40 7 8 0 21.80 3.70 7 8 0 16.20 3.00 -8 -8 0 11.80 4.60 8 -8 0 10.60 2.80 8 -8 0 9.40 3.00 8 8 0 8.30 2.90 -8 8 0 11.90 3.60 8 8 0 9.70 2.80 -8 8 0 14.90 5.70 0 -9 0 -0.20 0.70 0 -9 0 0.90 1.40 0 9 0 0.90 1.40 0 9 0 0.00 0.90 -1 -9 0 99.79 6.10 -1 -9 0 99.29 7.90 1 -9 0 77.79 6.60 1 -9 0 95.99 4.90 -1 -9 0 95.49 4.10 -1 9 0 87.59 5.40 -1 9 0 92.69 4.60 1 9 0 99.89 4.70 1 9 0 88.99 2.20 2 -9 0 48.60 5.30 -2 -9 0 37.70 5.40 2 -9 0 39.10 4.20 -2 -9 0 45.70 5.60 -2 -9 0 38.90 2.20 2 9 0 41.80 3.80 2 9 0 37.90 1.90 -2 9 0 47.90 4.10 -2 9 0 34.50 4.40 -3 -9 0 113.79 3.40 -3 -9 0 130.99 8.10 3 -9 0 123.59 6.50 3 -9 0 108.89 3.80 3 -9 0 137.29 7.00 -3 -9 0 118.29 7.70 -3 9 0 117.79 6.90 3 9 0 114.39 5.40 3 9 0 116.89 4.30 -3 9 0 110.29 5.50 4 -9 0 31.10 2.60 4 -9 0 33.20 4.10 4 -9 0 28.30 4.00 -4 -9 0 26.80 4.60 -4 -9 0 33.10 5.70 4 9 0 31.80 3.20 -4 9 0 29.70 3.60 4 9 0 21.20 2.90 -4 9 0 23.50 4.20 5 -9 0 111.99 6.90 -5 -9 0 92.19 9.40 5 -9 0 113.09 6.00 -5 -9 0 127.29 10.20 5 -9 0 106.29 5.30 5 9 0 108.19 5.60 -5 9 0 101.19 6.00 5 9 0 115.09 5.60 -5 9 0 113.19 9.60 -6 -9 0 4.30 2.70 6 -9 0 8.60 2.80 -6 -9 0 7.50 3.50 -6 9 0 3.80 2.20 -6 9 0 4.70 2.90 6 9 0 4.00 1.80 6 9 0 6.60 2.10 7 -9 0 0.00 1.70 -7 -9 0 3.20 2.50 -7 -9 0 -0.10 2.70 -7 9 0 -0.80 2.40 7 9 0 1.20 1.70 -7 9 0 2.40 2.20 7 9 0 2.70 1.80 0 -10 0 53.59 5.90 0 -10 0 61.29 3.80 0 10 0 65.19 5.70 0 10 0 66.59 4.20 -1 -10 0 3.40 2.10 1 -10 0 2.90 1.80 -1 -10 0 2.90 1.20 1 -10 0 -0.30 0.90 1 10 0 1.00 1.30 1 10 0 1.20 1.70 -1 10 0 0.60 1.60 -1 10 0 3.00 1.50 2 -10 0 30.00 4.30 -2 -10 0 35.30 5.20 -2 -10 0 32.90 4.80 -2 -10 0 37.00 2.30 2 -10 0 36.60 4.30 2 10 0 33.90 3.60 -2 10 0 45.40 5.30 2 10 0 34.70 1.90 -2 10 0 41.10 3.90 3 -10 0 22.60 3.80 -3 -10 0 24.60 4.50 3 -10 0 16.10 3.10 -3 -10 0 13.50 3.60 3 10 0 23.10 3.00 -3 10 0 19.60 4.00 3 10 0 26.50 2.40 -3 10 0 23.50 3.30 -4 -10 0 7.20 2.90 4 -10 0 2.20 1.80 -4 -10 0 2.40 2.30 4 -10 0 3.60 1.90 -4 10 0 3.90 1.80 -4 10 0 0.30 2.10 4 10 0 2.00 1.60 4 10 0 5.40 1.50 5 -10 0 0.20 1.80 5 -10 0 0.00 1.50 -5 -10 0 -0.80 2.00 -5 -10 0 0.70 2.50 -5 10 0 1.60 2.50 5 10 0 1.80 1.30 5 10 0 3.70 1.80 -5 10 0 5.10 2.10 6 -10 0 1.30 1.90 -6 -10 0 2.10 3.00 -6 -10 0 3.40 2.60 -6 10 0 0.70 1.80 6 10 0 0.80 1.50 6 10 0 3.60 1.90 -6 10 0 3.20 3.20 -7 -10 0 1.60 2.80 7 -10 0 7.40 3.00 -7 -10 0 10.00 4.80 -7 10 0 5.90 4.20 7 10 0 6.30 2.40 7 10 0 3.20 2.10 -7 10 0 5.70 2.70 0 -11 0 0.60 1.90 0 -11 0 0.00 1.00 0 11 0 -0.90 1.00 0 11 0 -0.40 1.40 1 -11 0 32.00 4.90 1 -11 0 34.60 3.90 -1 -11 0 44.00 6.00 -1 -11 0 31.90 3.10 1 11 0 33.70 3.80 -1 11 0 33.70 4.80 1 11 0 35.70 4.60 -1 11 0 33.80 3.80 -2 -11 0 15.60 2.00 -2 -11 0 12.50 3.40 2 -11 0 12.00 3.10 2 -11 0 17.70 3.10 -2 -11 0 12.30 3.40 -2 11 0 13.10 3.20 -2 11 0 13.30 2.70 2 11 0 14.60 2.60 3 -11 0 0.20 1.30 3 -11 0 0.40 1.70 -3 -11 0 1.60 2.00 -3 -11 0 1.70 2.10 -3 11 0 -0.30 1.90 3 11 0 1.80 1.40 -3 11 0 2.30 1.70 4 -11 0 1.50 1.90 -4 -11 0 0.80 1.90 -4 -11 0 -0.70 1.80 4 -11 0 3.70 2.20 4 11 0 -0.30 1.10 -4 11 0 3.50 2.70 -4 11 0 2.00 1.50 5 -11 0 1.60 2.00 -5 -11 0 3.90 2.60 5 -11 0 2.60 1.80 -5 -11 0 -2.30 1.50 -5 11 0 3.00 1.90 5 11 0 0.70 1.40 -5 11 0 -1.60 2.50 -6 -11 0 4.50 3.40 6 -11 0 9.10 3.00 -6 -11 0 1.50 2.50 -6 11 0 3.60 3.00 -6 11 0 6.90 2.70 6 11 0 7.10 2.30 0 -12 0 8.90 3.20 0 -12 0 11.80 2.30 0 12 0 7.70 2.80 0 12 0 7.60 2.10 -1 -12 0 -3.30 1.40 -1 -12 0 0.70 1.00 1 -12 0 -0.60 1.60 1 -12 0 2.50 1.60 -1 12 0 -0.20 1.30 1 12 0 0.50 1.60 -1 12 0 3.80 2.10 1 12 0 -0.50 1.00 2 -12 0 1.60 1.70 2 -12 0 0.50 1.90 -2 -12 0 -0.50 1.70 -2 12 0 1.80 1.40 -2 12 0 2.90 2.10 2 12 0 2.40 1.50 -3 -12 0 -1.20 1.70 3 -12 0 0.40 1.40 -3 -12 0 -1.70 2.10 3 -12 0 2.10 1.80 -3 12 0 1.80 2.40 3 12 0 0.60 1.50 -3 12 0 0.00 1.30 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4.50 2.70 6 4 -9 5.30 2.70 -5 -4 9 15.10 4.40 5 -4 -9 16.40 3.90 -5 -4 9 18.20 4.40 5 -4 -9 13.40 3.70 5 4 -9 21.90 4.20 -5 4 9 26.10 4.80 -5 4 9 19.00 3.70 5 4 -9 20.10 4.00 4 -4 -9 14.20 3.70 -4 -4 9 18.80 4.60 4 -4 -9 11.30 3.50 -4 -4 9 12.90 3.70 -4 -4 9 12.50 3.10 -4 4 9 18.30 3.40 4 4 -9 11.50 3.00 -4 4 9 11.20 3.20 4 4 -9 13.80 2.60 3 -4 -9 19.30 4.00 -3 -4 9 29.40 4.80 -3 -4 9 21.20 3.70 3 -4 -9 17.50 4.30 3 4 -9 26.90 4.80 3 4 -9 20.70 2.90 -3 4 9 11.80 3.20 -3 4 9 21.00 3.50 -2 -4 9 28.30 4.30 2 -4 -9 19.20 4.70 -2 -4 9 26.00 4.10 2 -4 -9 32.70 4.90 2 4 -9 20.80 4.20 -2 4 9 29.20 4.60 2 4 -9 28.90 3.60 -2 4 9 29.20 3.70 1 -4 -9 20.50 5.10 -1 -4 9 16.00 3.30 1 -4 -9 16.80 3.50 -1 -4 9 17.80 3.50 -1 4 9 19.50 3.10 1 4 -9 21.70 3.50 1 4 -9 13.20 3.60 -1 4 9 28.60 4.40 0 -4 -9 18.80 5.00 0 -4 9 31.40 4.60 0 -4 9 26.30 3.90 0 -4 -9 34.90 4.80 0 4 9 27.00 3.40 0 4 -9 22.90 4.70 0 4 -9 32.80 4.70 0 4 9 32.10 4.40 -1 -4 -9 0.60 1.70 1 -4 9 1.80 1.70 1 -4 9 1.70 1.80 -1 -4 -9 1.90 2.90 -1 4 -9 2.90 2.40 -1 4 -9 3.60 2.60 1 4 9 2.40 1.70 1 4 9 2.70 1.80 -2 -4 -9 11.30 3.00 -2 -4 -9 11.90 4.90 2 -4 9 7.40 2.70 2 -4 9 7.30 2.40 2 4 9 9.30 2.60 -2 4 -9 6.20 3.60 -2 4 -9 11.70 4.00 3 -4 9 25.90 4.20 -3 -4 -9 35.70 7.30 3 -4 9 19.30 4.00 -3 4 -9 17.90 4.80 3 4 9 21.00 3.80 -3 4 -9 25.80 5.80 -8 -5 9 3.60 4.80 8 -5 -9 2.60 2.60 -8 5 9 4.20 3.60 -8 5 9 0.80 2.40 8 5 -9 5.70 2.60 8 5 -9 1.30 2.10 -7 -5 9 8.00 4.30 7 -5 -9 8.20 3.30 -7 -5 9 5.60 3.90 -7 5 9 8.60 4.30 7 5 -9 8.30 3.00 -7 5 9 7.00 3.10 -6 -5 9 5.30 3.90 6 -5 -9 2.50 2.30 -6 -5 9 2.40 2.90 6 5 -9 1.60 2.00 6 5 -9 0.80 2.10 -6 5 9 1.00 1.90 -6 5 9 2.00 2.50 5 -5 -9 2.70 2.20 -5 -5 9 0.70 2.40 -5 -5 9 4.00 3.30 5 -5 -9 7.30 3.00 -5 5 9 5.10 2.80 5 5 -9 3.70 2.40 -5 5 9 2.60 2.20 5 5 -9 5.00 1.80 4 -5 -9 7.00 3.20 -4 -5 9 4.60 3.00 4 -5 -9 9.20 3.30 -4 -5 9 3.70 2.30 -4 -5 9 9.00 2.70 4 5 -9 6.20 2.90 -4 5 9 4.60 2.20 4 5 -9 11.90 2.60 -4 5 9 9.70 3.20 -3 -5 9 23.10 4.30 -3 -5 9 23.00 4.00 3 -5 -9 25.00 4.70 3 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11.90 3.30 -7 6 9 8.60 3.30 -7 6 9 18.90 5.30 6 -6 -9 8.40 3.30 -6 -6 9 8.20 3.60 -6 -6 9 10.90 4.80 -6 6 9 17.60 4.60 6 6 -9 16.40 3.80 -6 6 9 11.40 3.20 6 6 -9 12.40 3.30 6 6 -9 12.30 2.80 -5 -6 9 1.40 1.80 -5 -6 9 1.80 2.80 5 -6 -9 0.70 2.40 5 -6 -9 -0.10 1.80 -5 -6 9 2.60 3.10 -5 6 9 1.90 2.30 5 6 -9 0.60 1.40 5 6 -9 4.30 2.40 -5 6 9 -2.10 1.30 4 -6 -9 8.70 3.10 -4 -6 9 6.40 2.50 4 -6 -9 4.40 2.80 -4 -6 9 13.70 4.00 4 6 -9 7.90 2.40 4 6 -9 11.90 3.40 -4 6 9 8.50 2.80 -4 6 9 17.90 4.10 -3 -6 9 26.70 4.40 3 -6 -9 30.50 5.20 -3 -6 9 35.70 5.20 3 -6 -9 30.00 5.80 3 6 -9 27.80 4.80 -3 6 9 25.80 3.90 3 6 -9 30.00 3.90 -3 6 9 25.70 4.50 2 -6 -9 3.20 3.30 -2 -6 9 5.30 2.50 -2 -6 9 3.70 2.20 2 -6 -9 9.50 3.00 -2 6 9 4.40 2.20 2 6 -9 3.00 2.50 2 6 -9 6.70 2.30 -2 6 9 6.20 2.30 -1 -6 9 0.50 1.40 -1 -6 9 -1.90 1.40 1 -6 -9 -1.90 1.60 1 -6 -9 2.30 2.60 -1 6 9 0.80 1.50 1 6 -9 -0.70 1.50 -1 6 9 0.00 1.40 1 6 -9 -0.20 1.80 0 -6 -9 6.60 3.50 0 -6 9 4.30 2.10 0 -6 -9 5.40 2.40 0 -6 9 5.80 2.30 0 6 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9 9 -0.30 1.90 5 -10 -9 2.10 2.70 -5 -10 9 4.80 2.90 -5 10 9 0.10 2.10 -5 10 9 1.10 2.50 4 -10 -9 0.90 2.30 4 -10 -9 11.00 4.30 -4 -10 9 5.70 2.60 -4 10 9 6.60 3.20 4 10 -9 1.10 2.60 -4 10 9 14.60 4.00 4 10 -9 0.80 2.10 3 -10 -9 8.70 3.10 -3 -10 9 4.50 2.40 3 -10 -9 3.50 3.60 -3 10 9 4.00 2.50 -3 10 9 6.30 2.90 3 10 -9 1.10 2.50 3 10 -9 5.00 2.60 2 -10 -9 4.70 3.70 -2 -10 9 0.10 1.80 2 -10 -9 -1.00 1.90 2 10 -9 -1.90 1.70 -2 10 9 2.10 2.20 -2 10 9 0.70 1.80 2 10 -9 -0.40 2.20 1 -10 -9 1.70 3.50 -1 -10 9 4.30 2.60 -1 10 9 3.60 2.60 1 10 -9 2.70 3.00 -1 10 9 7.80 2.90 1 10 -9 6.20 2.90 0 -10 9 5.90 2.70 0 -10 -9 9.90 5.00 0 10 -9 3.40 3.00 0 10 9 11.20 3.40 0 10 -9 4.50 3.00 0 10 9 8.50 3.00 -8 0 10 1.10 3.40 -8 0 10 -0.30 2.90 8 0 -10 -1.70 2.30 7 0 -10 1.90 2.60 -7 0 10 1.80 2.80 -7 0 10 -0.10 2.70 6 0 -10 -0.60 1.60 -6 0 10 -2.10 1.90 6 0 -10 3.50 2.50 -6 0 10 -1.50 2.10 -5 0 10 2.60 2.20 5 0 -10 2.10 2.40 5 0 -10 -0.40 1.90 -5 0 10 4.40 3.20 4 0 -10 12.90 3.60 -4 0 10 14.40 3.20 -4 0 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2.40 3 -7 -10 17.10 4.90 -3 7 10 7.20 2.90 3 7 -10 11.50 4.00 -3 7 10 8.00 3.10 2 -7 -10 6.20 3.10 -2 -7 10 8.60 3.10 2 -7 -10 6.20 3.80 -2 -7 10 4.80 2.50 2 7 -10 6.00 3.60 -2 7 10 4.40 2.70 2 7 -10 6.10 2.70 -2 7 10 4.10 2.30 -1 -7 10 4.00 2.40 1 -7 -10 2.00 3.10 -1 -7 10 4.80 2.50 1 -7 -10 4.20 2.70 1 7 -10 4.00 2.30 1 7 -10 1.80 2.90 -1 7 10 6.20 2.50 -1 7 10 7.20 3.00 0 -7 10 -1.40 1.50 0 -7 -10 0.40 3.00 0 -7 10 -1.70 1.70 0 -7 -10 3.00 2.40 0 7 -10 3.60 2.60 0 7 10 -0.30 1.60 0 7 -10 3.70 3.10 0 7 10 0.90 1.90 1 -7 10 2.90 2.40 1 -7 10 -0.30 1.70 -1 -7 -10 1.80 3.80 -1 7 -10 1.40 2.80 -1 7 -10 0.60 2.70 1 7 10 1.70 2.30 1 7 10 3.40 2.20 -5 -8 10 4.20 2.70 -5 -8 10 12.50 4.50 5 -8 -10 6.70 3.50 5 -8 -10 9.40 3.70 -5 8 10 3.20 2.50 5 8 -10 4.50 3.00 -5 8 10 -2.20 2.50 -4 -8 10 22.50 4.40 -4 -8 10 30.00 5.70 4 -8 -10 22.70 4.90 4 -8 -10 25.30 6.20 -4 8 10 18.80 4.30 -4 8 10 28.40 5.40 4 8 -10 19.30 4.60 3 -8 -10 10.30 4.20 3 -8 -10 5.00 2.60 -3 -8 10 6.90 3.20 -3 -8 10 5.60 2.70 3 8 -10 8.70 3.50 3 8 -10 5.20 2.60 -3 8 10 7.60 3.10 -3 8 10 1.30 2.00 -2 -8 10 2.30 2.00 2 -8 -10 -0.80 1.80 2 -8 -10 3.50 3.40 -2 -8 10 0.10 2.10 2 8 -10 4.20 2.60 -2 8 10 2.40 1.90 -2 8 10 0.90 1.80 2 8 -10 0.80 2.50 -1 -8 10 8.00 3.20 1 -8 -10 2.90 2.60 1 -8 -10 -1.10 3.10 -1 -8 10 5.70 2.80 1 8 -10 9.60 3.30 -1 8 10 6.50 3.10 -1 8 10 0.80 1.90 1 8 -10 4.70 3.20 0 -8 10 0.50 2.20 0 -8 -10 -0.60 3.00 0 8 -10 -1.30 2.20 0 8 10 -0.50 1.90 0 8 -10 0.70 2.80 0 8 10 2.20 2.10 -4 -9 10 3.00 2.70 4 -9 -10 1.10 2.60 4 -9 -10 7.60 3.90 -4 9 10 2.90 3.20 4 9 -10 2.30 2.70 4 9 -10 0.00 2.00 -4 9 10 1.30 2.20 3 -9 -10 0.10 2.30 3 -9 -10 -1.70 2.60 -3 -9 10 -2.00 1.50 -3 9 10 3.20 2.30 3 9 -10 -2.40 2.20 3 9 -10 -1.60 1.70 -3 9 10 0.70 2.50 2 -9 -10 2.10 2.60 -2 -9 10 -0.30 1.90 2 -9 -10 1.70 2.90 -2 9 10 1.60 2.40 2 9 -10 0.00 2.70 2 9 -10 0.60 2.10 -2 9 10 -0.30 2.00 -1 -9 10 4.40 2.70 1 -9 -10 5.80 3.20 -1 9 10 3.40 2.30 1 9 -10 0.00 2.30 -1 9 10 0.80 2.30 -7 0 11 4.50 3.20 7 0 -11 2.80 2.80 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12.30 3.10 -4 1 11 6.20 3.40 3 -1 -11 27.90 5.20 -3 -1 11 29.80 5.40 3 -1 -11 36.00 6.50 -3 1 11 22.90 4.70 3 1 -11 43.60 6.40 3 1 -11 19.40 5.00 -2 -1 11 8.80 3.30 2 -1 -11 17.00 5.00 -2 -1 11 9.10 3.10 2 -1 -11 9.70 3.30 2 1 -11 14.30 4.60 -2 1 11 19.40 4.40 1 -1 -11 15.40 4.80 1 -1 -11 13.30 3.90 -1 -1 11 14.30 3.90 -1 -1 11 14.10 3.70 1 1 -11 10.60 4.20 -1 1 11 13.00 3.50 0 -1 -11 2.40 3.60 0 -1 11 1.40 1.90 0 -1 11 8.90 3.00 0 1 11 8.50 3.20 0 1 -11 7.00 4.00 1 -1 11 -0.20 1.60 -1 -1 -11 2.30 2.80 1 -1 11 1.50 2.20 1 1 11 2.60 2.30 1 1 11 4.90 2.70 -1 1 -11 -4.50 1.70 -7 -2 11 -0.10 2.90 7 -2 -11 1.00 2.70 -7 -2 11 1.40 3.20 -7 2 11 4.50 3.20 -7 2 11 1.20 2.80 7 2 -11 -0.50 2.20 -6 -2 11 7.40 3.70 6 -2 -11 4.20 2.90 -6 -2 11 3.90 3.60 6 2 -11 6.60 3.20 -6 2 11 8.90 3.10 -6 2 11 5.50 3.50 6 2 -11 7.00 3.00 -5 -2 11 4.20 3.40 5 -2 -11 8.00 3.70 5 -2 -11 -2.10 2.00 -5 -2 11 0.50 2.80 5 2 -11 1.30 2.40 -5 2 11 1.40 2.30 -5 2 11 3.10 2.90 5 2 -11 4.90 2.90 4 -2 -11 7.20 3.50 4 -2 -11 0.60 2.10 -4 -2 11 9.50 3.80 4 2 -11 6.60 3.40 -4 2 11 1.70 2.50 -4 2 11 2.30 2.00 4 2 -11 3.10 2.50 3 -2 -11 8.80 3.70 3 -2 -11 8.40 3.10 -3 -2 11 4.00 2.80 3 2 -11 9.50 3.60 -3 2 11 6.50 3.00 -3 2 11 8.10 2.60 -2 -2 11 0.90 1.90 2 -2 -11 3.10 2.90 2 -2 -11 1.20 2.40 -2 -2 11 -0.20 1.80 2 2 -11 3.90 3.20 -2 2 11 5.10 2.60 1 -2 -11 1.20 3.00 1 -2 -11 -1.70 1.90 -1 -2 11 4.30 2.30 -1 -2 11 0.10 2.10 -1 2 11 -1.90 1.60 1 2 -11 0.50 2.80 0 -2 -11 1.50 3.10 0 -2 -11 2.70 2.50 0 -2 11 0.20 1.60 0 -2 11 0.90 2.30 0 2 -11 -1.90 2.00 0 2 11 0.10 1.60 1 -2 11 0.30 1.80 -1 -2 -11 -1.70 2.50 1 -2 11 -0.60 1.80 -1 -2 -11 0.70 2.20 1 2 11 0.50 1.90 -1 2 -11 1.00 2.70 -7 -3 11 0.00 3.20 -7 -3 11 4.90 3.90 7 -3 -11 7.20 3.70 -7 3 11 7.70 4.10 -7 3 11 6.60 3.40 7 3 -11 0.10 2.30 -6 -3 11 -4.30 2.60 6 -3 -11 -0.40 2.10 -6 -3 11 0.40 2.80 -6 3 11 -2.10 1.90 -6 3 11 4.10 3.40 6 3 -11 3.60 2.80 6 3 -11 -1.60 1.80 -5 -3 11 -0.80 2.30 5 -3 -11 2.80 2.80 5 -3 -11 13.70 4.60 -5 3 11 4.50 2.80 5 3 -11 3.60 2.70 5 3 -11 10.00 3.70 -5 3 11 6.30 2.80 -4 -3 11 9.20 3.70 4 -3 -11 14.20 4.40 4 -3 -11 2.80 2.60 4 3 -11 17.20 4.20 -4 3 11 7.40 3.30 4 3 -11 7.40 3.30 -4 3 11 6.00 2.50 3 -3 -11 2.50 2.60 -3 -3 11 6.50 3.20 3 -3 -11 5.80 3.80 -3 -3 11 3.50 2.50 3 3 -11 5.00 3.10 -3 3 11 12.10 3.60 -3 3 11 11.60 3.00 2 -3 -11 6.90 3.00 2 -3 -11 10.50 4.20 -2 -3 11 9.20 3.30 -2 -3 11 5.90 2.60 2 3 -11 7.70 4.00 -2 3 11 3.30 2.60 -1 -3 11 0.30 1.60 1 -3 -11 4.40 3.90 -1 -3 11 -0.60 1.70 1 -3 -11 0.60 2.00 -1 3 11 1.40 1.90 1 3 -11 -1.40 2.00 0 -3 11 -0.70 1.50 0 -3 -11 0.00 2.70 0 -3 -11 3.50 2.50 0 -3 11 0.60 2.10 0 3 11 1.40 2.00 0 3 -11 2.40 3.10 1 -3 11 -0.30 1.60 -1 -3 -11 4.40 2.50 1 -3 11 -0.50 2.00 -1 -3 -11 2.10 3.20 -1 3 -11 1.90 3.10 1 3 11 2.20 2.30 -6 -4 11 1.00 2.90 6 -4 -11 1.70 2.50 6 4 -11 4.60 3.20 -6 4 11 -1.40 2.20 6 4 -11 -1.70 2.20 -6 4 11 -2.50 2.20 5 -4 -11 4.90 3.30 -5 -4 11 4.00 3.30 5 -4 -11 -0.90 2.30 -5 4 11 2.10 2.70 -5 4 11 7.20 3.70 5 4 -11 7.10 3.20 5 4 -11 3.50 2.60 -4 -4 11 2.40 2.60 -4 -4 11 3.40 2.30 4 -4 -11 1.80 3.10 4 -4 -11 4.50 2.90 -4 4 11 5.50 3.30 4 4 -11 4.50 3.00 -4 4 11 7.10 2.60 -3 -4 11 3.60 2.20 3 -4 -11 3.30 3.50 3 -4 -11 2.00 2.30 -3 -4 11 6.00 3.00 3 4 -11 3.40 3.00 -3 4 11 4.70 2.40 -3 4 11 9.90 3.40 -2 -4 11 -1.10 1.70 2 -4 -11 2.20 2.30 -2 -4 11 -1.20 1.40 2 -4 -11 0.80 2.90 -2 4 11 0.10 1.80 2 4 -11 -1.70 2.30 -2 4 11 3.10 2.00 -1 -4 11 -0.10 1.60 1 -4 -11 0.70 2.30 1 -4 -11 1.70 3.50 -1 -4 11 2.30 2.70 -1 4 11 -0.80 1.70 1 4 -11 0.20 2.80 0 -4 11 0.20 2.00 0 -4 -11 -2.50 2.60 0 -4 -11 -1.60 1.80 0 -4 11 1.60 2.10 0 4 11 -1.40 1.50 0 4 -11 -0.80 2.80 1 -4 11 -0.50 1.80 -1 -4 -11 -0.20 2.10 1 -4 11 -0.20 1.90 -1 4 -11 3.50 3.40 1 4 11 -0.20 2.00 6 -5 -11 -0.60 2.90 -6 -5 11 0.20 2.90 -6 5 11 2.20 3.10 6 5 -11 -0.10 2.40 6 5 -11 -1.30 2.40 -6 5 11 2.80 2.60 5 -5 -11 0.60 2.30 5 -5 -11 13.10 4.40 -5 -5 11 3.70 3.30 5 5 -11 8.40 3.80 -5 5 11 7.20 3.10 5 5 -11 6.80 3.10 -5 5 11 10.20 4.00 -4 -5 11 11.60 3.70 4 -5 -11 17.10 5.20 -4 -5 11 16.90 4.30 4 -5 -11 16.80 4.60 -4 5 11 10.60 3.70 -4 5 11 10.80 3.30 4 5 -11 27.00 5.40 -3 -5 11 0.50 2.20 3 -5 -11 3.00 3.40 3 -5 -11 -0.50 2.50 -3 -5 11 1.40 1.90 3 5 -11 2.30 2.50 -3 5 11 -1.30 1.90 -3 5 11 1.40 2.00 -2 -5 11 0.70 1.90 -2 -5 11 0.90 2.10 2 -5 -11 2.40 3.10 2 -5 -11 -0.40 2.30 2 5 -11 -1.00 2.20 -2 5 11 1.30 2.00 -2 5 11 -0.90 2.00 -1 -5 11 2.20 2.00 -1 -5 11 -0.90 2.20 1 -5 -11 2.20 3.60 1 -5 -11 -0.10 1.70 -1 5 11 -1.30 1.40 1 5 -11 -2.00 2.30 0 -5 -11 4.90 3.90 0 -5 11 2.50 2.60 0 -5 11 1.10 2.00 0 -5 -11 4.60 2.80 0 5 -11 -3.50 2.00 0 5 11 1.70 2.30 5 -6 -11 4.30 3.40 -5 -6 11 3.70 3.60 5 -6 -11 -1.20 2.40 5 6 -11 2.30 2.60 -5 6 11 6.60 3.20 -5 6 11 2.70 2.70 -4 -6 11 6.70 3.50 4 -6 -11 10.30 4.00 4 -6 -11 7.90 4.00 -4 -6 11 6.80 2.90 -4 6 11 5.40 2.90 4 6 -11 9.30 3.90 -4 6 11 6.40 3.50 3 -6 -11 -0.70 2.10 -3 -6 11 0.90 1.90 3 -6 -11 1.90 3.30 -3 -6 11 1.80 2.60 3 6 -11 3.00 3.00 -3 6 11 -0.20 1.90 -3 6 11 -0.30 1.80 -2 -6 11 -2.50 1.20 2 -6 -11 0.70 2.90 -2 -6 11 -0.90 1.80 2 -6 -11 0.10 2.30 -2 6 11 -0.20 2.10 -2 6 11 -0.90 2.00 2 6 -11 0.30 2.30 -1 -6 11 0.90 2.20 1 -6 -11 0.70 3.40 1 -6 -11 1.60 2.60 -1 -6 11 0.20 1.80 -1 6 11 2.90 2.60 -1 6 11 1.00 2.10 1 6 -11 2.60 3.20 -4 -7 11 2.50 2.30 4 -7 -11 -1.20 2.70 -4 -7 11 5.80 3.50 4 -7 -11 1.30 2.50 4 7 -11 0.30 2.30 -4 7 11 -0.20 1.90 -4 7 11 1.20 2.70 -3 -7 11 -1.00 1.90 -3 -7 11 -0.70 1.90 3 -7 -11 -2.20 2.50 3 -7 -11 1.30 2.10 -3 7 11 1.90 2.40 -3 7 11 -0.30 2.00 3 7 -11 1.70 3.00 -2 -7 11 0.00 2.60 2 -7 -11 5.70 3.90 2 -7 -11 4.60 2.90 -2 -7 11 1.50 1.80 -2 7 11 2.10 2.20 2 7 -11 3.60 3.10 -2 7 11 2.40 2.50 -6 0 12 -1.50 3.30 -6 0 12 3.40 3.10 6 0 -12 2.50 3.10 5 0 -12 1.70 2.90 5 0 -12 -0.20 2.40 -5 0 12 1.70 3.20 -4 0 12 2.70 2.70 4 0 -12 3.90 3.60 4 0 -12 3.20 2.70 3 0 -12 2.50 3.10 3 0 -12 6.50 3.40 -3 0 12 8.20 3.40 2 0 -12 -1.60 2.40 -2 0 12 2.50 2.50 2 0 -12 3.60 3.20 -1 0 12 -0.90 1.90 1 0 -12 3.20 3.10 -6 -1 12 5.90 3.60 -6 1 12 6.00 3.90 -6 1 12 8.20 3.70 5 -1 -12 -0.10 2.20 5 -1 -12 1.40 3.20 -5 -1 12 6.00 3.40 5 1 -12 2.90 2.90 -5 1 12 -2.00 2.70 5 1 -12 6.90 3.50 -4 -1 12 9.20 4.10 4 -1 -12 0.80 3.10 4 -1 -12 3.90 2.80 4 1 -12 -0.40 2.20 4 1 -12 7.10 3.90 -4 1 12 -1.50 2.10 3 -1 -12 5.60 3.10 3 -1 -12 6.20 3.80 -3 -1 12 3.00 2.90 3 1 -12 7.80 3.50 3 1 -12 9.10 4.40 -3 1 12 3.80 3.00 2 -1 -12 6.80 4.00 2 -1 -12 0.80 2.20 -2 -1 12 0.70 2.40 -2 1 12 6.60 3.20 2 1 -12 2.90 3.10 -1 -1 12 1.30 2.50 1 -1 -12 3.90 3.60 -1 -1 12 3.40 2.40 1 -1 -12 1.70 2.80 1 1 -12 -1.20 2.90 -1 1 12 -0.60 2.00 5 -2 -12 -1.00 2.50 -5 -2 12 -1.00 2.60 5 -2 -12 5.90 3.40 5 2 -12 3.30 3.30 -5 2 12 -2.70 2.20 -5 2 12 4.70 3.20 5 2 -12 1.50 2.80 4 -2 -12 7.90 4.00 4 -2 -12 8.60 3.50 -4 -2 12 6.80 3.80 4 2 -12 8.10 3.80 4 2 -12 12.20 4.20 -4 2 12 6.30 3.40 3 -2 -12 4.00 3.90 -3 -2 12 12.80 4.10 3 -2 -12 13.10 4.40 3 2 -12 10.10 4.00 3 2 -12 10.80 4.30 -3 2 12 9.80 3.90 -2 -2 12 0.30 2.30 2 -2 -12 5.80 3.30 -2 -2 12 5.20 2.60 2 -2 -12 2.30 3.70 2 2 -12 1.60 3.20 -2 2 12 0.80 2.00 -1 -2 12 3.60 2.40 1 -2 -12 1.20 3.50 -1 -2 12 3.00 2.70 1 -2 -12 -2.10 1.90 -1 2 12 1.60 2.20 1 2 -12 2.60 3.20 5 -3 -12 1.90 2.80 -5 -3 12 9.90 4.10 5 -3 -12 12.20 4.50 5 3 -12 8.30 3.80 -5 3 12 1.30 2.60 -5 3 12 8.30 3.10 5 3 -12 11.40 4.00 4 -3 -12 7.80 3.40 4 -3 -12 10.30 4.30 -4 -3 12 15.50 4.60 4 3 -12 8.70 3.70 -4 3 12 5.90 3.40 4 3 -12 3.20 3.30 -3 -3 12 7.00 3.60 3 -3 -12 -0.70 3.00 3 -3 -12 3.80 3.10 -3 -3 12 1.60 2.20 3 3 -12 9.40 4.20 -3 3 12 0.60 2.60 2 -3 -12 0.10 3.40 -2 -3 12 7.30 3.30 -2 -3 12 1.20 2.10 2 -3 -12 1.60 2.10 2 3 -12 3.10 3.10 -2 3 12 -0.10 2.50 -1 -3 12 1.00 2.10 4 -4 -12 1.70 2.70 -4 -4 12 0.00 2.90 4 -4 -12 1.50 3.50 4 4 -12 0.30 3.10 -4 4 12 3.60 2.60 -4 4 12 0.30 2.60 -3 -4 12 4.40 2.90 3 -4 -12 5.10 3.20 3 -4 -12 6.80 4.20 -3 -4 12 4.20 2.60 3 4 -12 15.10 4.90 -3 4 12 0.00 2.40 -2 -4 12 0.60 2.40 2 -4 -12 2.60 3.00 2 -4 -12 2.40 3.70 -2 -4 12 1.40 2.60 2 4 -12 2.50 3.30 -2 4 12 -0.30 2.00 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 72532 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O1 O 0.4632(2) 0.49824(14) 0.28949(18) 0.0535(4) Uani 1 1 d . . . . . N1 N 0.2580(3) 0.42800(17) 0.4568(2) 0.0513(5) Uani 1 1 d . . . . . O2 O 0.2009(3) 0.5576(2) 0.1289(3) 0.0789(6) Uani 1 1 d . . . . . O3 O 0.7652(3) 0.5660(2) 0.2693(3) 0.0764(6) Uani 1 1 d . . . . . C11 C 0.3720(3) 0.5569(2) 0.1759(3) 0.0489(5) Uani 1 1 d . . . . . O4 O 0.1983(4) 0.6945(3) -0.0783(3) 0.1116(11) Uani 1 1 d . . . . . C4 C 0.5628(3) 0.3776(2) 0.6491(3) 0.0510(6) Uani 1 1 d . . . . . C12 C 0.4756(3) 0.6262(2) 0.0995(2) 0.0474(5) Uani 1 1 d . . . . . N2 N 0.8747(3) 0.3989(3) 0.6523(3) 0.0761(7) Uani 1 1 d . . . . . C5 C 0.7004(4) 0.3699(3) 0.5843(3) 0.0608(7) Uani 1 1 d . . . . . H5 H 0.668518 0.342639 0.486513 0.073 Uiso 1 1 calc R U . . . C13 C 0.6669(3) 0.6296(2) 0.1511(3) 0.0548(6) Uani 1 1 d . . . . . C6 C 0.3693(4) 0.3402(2) 0.5675(3) 0.0548(6) Uani 1 1 d . . . . . H6 H 0.308281 0.326057 0.642168 0.066 Uiso 1 1 calc R U . . . C17 C 0.3822(4) 0.6940(3) -0.0252(3) 0.0693(8) Uani 1 1 d . . . . . C16 C 0.4776(7) 0.7629(3) -0.0929(4) 0.0904(11) Uani 1 1 d . . . . . H16 H 0.415145 0.807019 -0.175879 0.108 Uiso 1 1 calc R U . . . C9 C 0.0906(4) 0.3642(3) 0.3601(4) 0.0699(8) Uani 1 1 d . . . . . H9A H -0.012546 0.377140 0.395430 0.084 Uiso 1 1 calc R U . . . H9B H 0.057456 0.389167 0.256532 0.084 Uiso 1 1 calc R U . . . C1 C 0.9168(5) 0.4366(3) 0.7916(4) 0.0796(9) Uani 1 1 d . . . . . H1A H 1.037827 0.456931 0.841548 0.095 Uiso 1 1 calc R U . . . C3 C 0.6145(4) 0.4181(3) 0.7944(3) 0.0706(8) Uani 1 1 d . . . . . H3 H 0.528195 0.425479 0.843442 0.085 Uiso 1 1 calc R U . . . C7 C 0.3428(4) 0.2357(2) 0.4675(4) 0.0741(8) Uani 1 1 d . . . . . H7A H 0.420572 0.239379 0.404885 0.089 Uiso 1 1 calc R U . . . H7B H 0.370466 0.166288 0.526886 0.089 Uiso 1 1 calc R U . . . C10 C 0.2150(4) 0.5337(3) 0.5232(4) 0.0768(9) Uani 1 1 d . . . . . H10A H 0.141613 0.515681 0.585094 0.115 Uiso 1 1 calc R U . . . H10B H 0.148714 0.584768 0.444582 0.115 Uiso 1 1 calc R U . . . H10C H 0.326765 0.569483 0.583065 0.115 Uiso 1 1 calc R U . . . C2 C 0.7941(5) 0.4476(3) 0.8662(4) 0.0857(10) Uani 1 1 d . . . . . H2 H 0.830904 0.474531 0.964388 0.103 Uiso 1 1 calc R U . . . C15 C 0.6649(7) 0.7658(3) -0.0370(4) 0.0893(11) Uani 1 1 d . . . . . H15 H 0.728142 0.813956 -0.081481 0.107 Uiso 1 1 calc R U . . . C8 C 0.1429(5) 0.2398(3) 0.3733(5) 0.0913(11) Uani 1 1 d . . . . . H8A H 0.124818 0.207176 0.274932 0.110 Uiso 1 1 calc R U . . . H8B H 0.069272 0.197500 0.421337 0.110 Uiso 1 1 calc R U . . . C14 C 0.7617(5) 0.7000(3) 0.0824(4) 0.0777(9) Uani 1 1 d . . . . . H14 H 0.889072 0.702252 0.117202 0.093 Uiso 1 1 calc R U . . . H3A H 0.679(6) 0.527(4) 0.299(5) 0.117 Uiso 1 1 d . U . . . H4 H 0.155(6) 0.644(4) -0.010(5) 0.117 Uiso 1 1 d . U . . . H1 H 0.325(4) 0.447(3) 0.398(3) 0.068(8) Uiso 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O1 0.0555(9) 0.0554(9) 0.0507(9) 0.0100(8) 0.0187(7) 0.0011(7) N1 0.0417(10) 0.0523(11) 0.0643(12) 0.0114(10) 0.0231(9) 0.0035(9) O2 0.0450(10) 0.0910(15) 0.0911(14) 0.0186(12) 0.0088(9) -0.0078(10) O3 0.0478(10) 0.0849(14) 0.0973(15) 0.0276(13) 0.0247(10) 0.0154(10) C11 0.0498(13) 0.0459(11) 0.0501(12) -0.0001(10) 0.0152(10) -0.0019(10) O4 0.0863(17) 0.115(2) 0.0932(18) 0.0434(17) -0.0257(14) -0.0095(15) C4 0.0541(13) 0.0514(13) 0.0464(12) 0.0108(10) 0.0145(10) 0.0012(10) C12 0.0570(13) 0.0426(11) 0.0423(11) -0.0021(9) 0.0159(9) -0.0012(10) N2 0.0539(14) 0.0953(19) 0.0739(16) 0.0094(14) 0.0138(11) -0.0007(13) C5 0.0572(15) 0.0743(17) 0.0497(13) 0.0049(12) 0.0158(11) 0.0023(13) C13 0.0580(15) 0.0506(13) 0.0643(15) -0.0016(12) 0.0316(12) 0.0034(11) C6 0.0558(14) 0.0579(14) 0.0533(13) 0.0171(11) 0.0216(11) -0.0017(11) C17 0.0812(19) 0.0637(16) 0.0506(14) 0.0087(12) 0.0046(13) -0.0041(15) C16 0.136(3) 0.070(2) 0.0624(18) 0.0197(16) 0.028(2) -0.011(2) C9 0.0428(13) 0.0795(19) 0.0819(19) 0.0114(16) 0.0126(13) -0.0060(13) C1 0.0646(18) 0.082(2) 0.074(2) 0.0004(17) -0.0025(15) -0.0070(16) C3 0.0768(19) 0.0835(19) 0.0526(15) -0.0010(14) 0.0226(14) 0.0064(16) C7 0.0712(18) 0.0507(15) 0.086(2) 0.0122(14) 0.0053(15) -0.0049(13) C10 0.0680(18) 0.0666(18) 0.108(2) 0.0002(16) 0.0454(18) 0.0095(13) C2 0.093(2) 0.091(2) 0.0566(16) -0.0154(16) 0.0024(16) 0.0006(19) C15 0.138(4) 0.072(2) 0.082(2) 0.0064(18) 0.069(2) -0.017(2) C8 0.0681(19) 0.074(2) 0.112(3) 0.0170(19) 0.0011(18) -0.0143(16) C14 0.080(2) 0.0717(18) 0.101(2) -0.0013(18) 0.0562(18) -0.0079(17) 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' 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 C6 N1 H1 106(2) . . ? C9 N1 C6 105.1(2) . . ? C9 N1 H1 107.6(19) . . ? C10 N1 C6 115.7(2) . . ? C10 N1 C9 113.9(2) . . ? C10 N1 H1 108(2) . . ? C13 O3 H3A 105(3) . . ? O1 C11 C12 117.8(2) . . ? O2 C11 O1 122.2(2) . . ? O2 C11 C12 120.0(2) . . ? C17 O4 H4 107(2) . . ? C5 C4 C6 122.0(2) . . ? C3 C4 C5 116.3(2) . . ? C3 C4 C6 121.7(2) . . ? C13 C12 C11 121.5(2) . . ? C13 C12 C17 118.2(2) . . ? C17 C12 C11 120.3(2) . . ? C1 N2 C5 116.5(3) . . ? C4 C5 H5 117.7 . . ? N2 C5 C4 124.7(3) . . ? N2 C5 H5 117.7 . . ? O3 C13 C12 121.3(2) . . ? O3 C13 C14 118.1(3) . . ? C14 C13 C12 120.7(3) . . ? N1 C6 H6 108.1 . . ? C4 C6 N1 113.59(19) . . ? C4 C6 H6 108.1 . . ? C4 C6 C7 117.6(2) . . ? C7 C6 N1 100.8(2) . . ? C7 C6 H6 108.1 . . ? O4 C17 C12 120.4(3) . . ? O4 C17 C16 118.9(3) . . ? C16 C17 C12 120.6(3) . . ? C17 C16 H16 120.3 . . ? C15 C16 C17 119.5(3) . . ? C15 C16 H16 120.3 . . ? N1 C9 H9A 110.6 . . ? N1 C9 H9B 110.6 . . ? H9A C9 H9B 108.7 . . ? C8 C9 N1 105.9(2) . . ? C8 C9 H9A 110.6 . . ? C8 C9 H9B 110.6 . . ? N2 C1 H1A 118.0 . . ? N2 C1 C2 124.0(3) . . ? C2 C1 H1A 118.0 . . ? C4 C3 H3 120.2 . . ? C2 C3 C4 119.7(3) . . ? C2 C3 H3 120.2 . . ? C6 C7 H7A 110.9 . . ? C6 C7 H7B 110.9 . . ? H7A C7 H7B 108.9 . . ? C8 C7 C6 104.2(3) . . ? C8 C7 H7A 110.9 . . ? C8 C7 H7B 110.9 . . ? N1 C10 H10A 109.5 . . ? N1 C10 H10B 109.5 . . ? N1 C10 H10C 109.5 . . ? H10A C10 H10B 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C1 C2 C3 118.9(3) . . ? C1 C2 H2 120.5 . . ? C3 C2 H2 120.5 . . ? C16 C15 H15 119.0 . . ? C14 C15 C16 122.0(3) . . ? C14 C15 H15 119.0 . . ? C9 C8 C7 106.0(3) . . ? C9 C8 H8A 110.5 . . ? C9 C8 H8B 110.5 . . ? C7 C8 H8A 110.5 . . ? C7 C8 H8B 110.5 . . ? H8A C8 H8B 108.7 . . ? C13 C14 H14 120.5 . . ? C15 C14 C13 119.1(3) . . ? C15 C14 H14 120.5 . . ? 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 O1 C11 1.274(3) . ? N1 C6 1.517(3) . ? N1 C9 1.514(3) . ? N1 C10 1.471(4) . ? N1 H1 0.90(3) . ? O2 C11 1.249(3) . ? O3 C13 1.349(3) . ? O3 H3A 0.92(5) . ? C11 C12 1.480(3) . ? O4 C17 1.343(4) . ? O4 H4 1.01(5) . ? C4 C5 1.390(4) . ? C4 C6 1.505(4) . ? C4 C3 1.379(4) . ? C12 C13 1.397(3) . ? C12 C17 1.407(4) . ? N2 C5 1.332(4) . ? N2 C1 1.322(4) . ? C5 H5 0.9300 . ? C13 C14 1.394(4) . ? C6 H6 0.9800 . ? C6 C7 1.517(4) . ? C17 C16 1.381(5) . ? C16 H16 0.9300 . ? C16 C15 1.369(6) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C9 C8 1.504(5) . ? C1 H1A 0.9300 . ? C1 C2 1.357(5) . ? C3 H3 0.9300 . ? C3 C2 1.375(5) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 C8 1.511(4) . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C2 H2 0.9300 . ? C15 H15 0.9300 . ? C15 C14 1.367(5) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C14 H14 0.9300 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag C7 H7B O1 0.97 2.66 3.603(3) 164.6 2_646 yes C8 H8A O4 0.97 2.58 3.192(4) 120.9 2_545 yes O3 H3A O1 0.92(5) 1.68(5) 2.528(3) 152(4) . yes O4 H4 O2 1.01(5) 1.60(5) 2.521(4) 149(4) . yes N1 H1 O1 0.90(3) 1.80(3) 2.701(3) 175(3) . yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C11 C12 C13 -1.3(3) . . . . ? O1 C11 C12 C17 -179.1(2) . . . . ? N1 C6 C7 C8 -41.4(3) . . . . ? N1 C9 C8 C7 -4.2(4) . . . . ? O2 C11 C12 C13 178.5(2) . . . . ? O2 C11 C12 C17 0.7(4) . . . . ? O3 C13 C14 C15 -179.6(3) . . . . ? C11 C12 C13 O3 2.7(4) . . . . ? C11 C12 C13 C14 -176.6(2) . . . . ? C11 C12 C17 O4 -1.5(4) . . . . ? C11 C12 C17 C16 177.0(3) . . . . ? O4 C17 C16 C15 178.0(3) . . . . ? C4 C6 C7 C8 -165.4(2) . . . . ? C4 C3 C2 C1 0.4(5) . . . . ? C12 C13 C14 C15 -0.2(5) . . . . ? C12 C17 C16 C15 -0.5(5) . . . . ? N2 C1 C2 C3 -0.1(6) . . . . ? C5 C4 C6 N1 -80.6(3) . . . . ? C5 C4 C6 C7 36.7(3) . . . . ? C5 C4 C3 C2 -0.3(4) . . . . ? C5 N2 C1 C2 -0.4(5) . . . . ? C13 C12 C17 O4 -179.4(3) . . . . ? C13 C12 C17 C16 -0.9(4) . . . . ? C6 N1 C9 C8 -22.0(3) . . . . ? C6 C4 C5 N2 -178.2(3) . . . . ? C6 C4 C3 C2 177.7(3) . . . . ? C6 C7 C8 C9 28.7(4) . . . . ? C17 C12 C13 O3 -179.4(2) . . . . ? C17 C12 C13 C14 1.3(4) . . . . ? C17 C16 C15 C14 1.7(6) . . . . ? C16 C15 C14 C13 -1.3(5) . . . . ? C9 N1 C6 C4 165.7(2) . . . . ? C9 N1 C6 C7 39.0(3) . . . . ? C1 N2 C5 C4 0.5(5) . . . . ? C3 C4 C5 N2 -0.1(4) . . . . ? C3 C4 C6 N1 101.5(3) . . . . ? C3 C4 C6 C7 -141.2(3) . . . . ? C10 N1 C6 C4 -67.8(3) . . . . ? C10 N1 C6 C7 165.5(2) . . . . ? C10 N1 C9 C8 -149.6(3) . . . . ?