#------------------------------------------------------------------------------ #$Date: 2026-06-20 02:06:37 +0100 (Sat, 20 Jun 2026) $ #$Revision: 306604 $ #$URL: svn://www.crystallography.net/cod/cif/7/06/44/7064451.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_7064451 loop_ _publ_author_name 'Binici, Arzu' _publ_section_title ; The syntheses, crystal structures, and spectroscopic, chiral, thermal and free radical scavenging properties of fully and partially substituted indolyl-phosphazenes ; _journal_name_full 'New Journal of Chemistry' _journal_paper_doi 10.1039/D6NJ00879H _journal_year 2026 _chemical_formula_moiety 'C18 H31 Cl2 N8 P3' _chemical_formula_sum 'C18 H31 Cl2 N8 P3' _chemical_formula_weight 523.32 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2026-05-15 deposited with the CCDC. 2026-06-04 downloaded from the CCDC. ; _cell_angle_alpha 94.782(3) _cell_angle_beta 101.229(4) _cell_angle_gamma 98.377(4) _cell_formula_units_Z 2 _cell_length_a 8.3468(5) _cell_length_b 12.0926(4) _cell_length_c 12.7425(4) _cell_measurement_reflns_used 1813 _cell_measurement_temperature 172(2) _cell_measurement_theta_max 23.81 _cell_measurement_theta_min 2.51 _cell_volume 1239.78(10) _computing_cell_refinement 'SAINT (Bruker, 2012)' _computing_data_collection 'APEX2 (Bruker, 2012)' _computing_data_reduction SAINT _computing_molecular_graphics 'ORTEP-3 for Windows (Farrugia, 2012)' _computing_publication_material 'WinGX publication routines (Farrugia, 2012) and PLATON (Spek, 2009)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 172(2) _diffrn_detector_area_resol_mean 8.3333 _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.988 _diffrn_measurement_device_type 'Bruker APEX II QUAZAR three-circle diffractometer' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0885 _diffrn_reflns_av_unetI/netI 0.1414 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.988 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 12384 _diffrn_reflns_point_group_measured_fraction_full 0.993 _diffrn_reflns_point_group_measured_fraction_max 0.988 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.481 _diffrn_reflns_theta_min 1.640 _exptl_absorpt_coefficient_mu 0.479 _exptl_absorpt_correction_type none _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.402 _exptl_crystal_description plate _exptl_crystal_F_000 548 _exptl_crystal_size_max 0.250 _exptl_crystal_size_mid 0.130 _exptl_crystal_size_min 0.080 _refine_diff_density_max 0.818 _refine_diff_density_min -0.539 _refine_diff_density_rms 0.119 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.988 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 357 _refine_ls_number_reflns 5638 _refine_ls_number_restraints 206 _refine_ls_restrained_S_all 0.979 _refine_ls_R_factor_all 0.1375 _refine_ls_R_factor_gt 0.0887 _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^)+(0.1234P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2220 _refine_ls_wR_factor_ref 0.2451 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3089 _reflns_number_total 5638 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d6nj00879h2.cif _cod_data_source_block shelx _cod_database_code 7064451 _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. ; _shelx_estimated_absorpt_t_min 0.890 _shelx_estimated_absorpt_t_max 0.963 _shelx_res_file ; TITL 24gtu155_inmetprop_0m_a.res in P-1 shelx.res created by SHELXL-2018/3 at 09:48:21 on 07-May-2026 CELL 0.71073 8.3468 12.0926 12.7425 94.782 101.229 98.377 ZERR 2.00 0.0005 0.0004 0.0004 0.003 0.004 0.004 LATT 1 SFAC C H N P CL UNIT 36 62 16 6 4 MERG 2 OMIT -5 2 5 OMIT -5 3 6 MORE -1 DFIX 0.86 H6 N6 SADI 0.01 P3 N7 P3 N7A SADI 0.01 P3 N8 P3 N8A SADI 0.01 N7 C13 N7A C13A SADI 0.01 N8 C16 N8A C16A SADI 0.01 C13 C14 C13A C14A C14 C15 C14A C15A SADI 0.04 P3 C13 P3 C13A SADI 0.01 C16 C17 C16A C17A C17 C18 C17A C18A SADI 0.04 N7 C14 N7A C14A SIMU 0.01 0.02 2 N8 C16 C17 C18 N8A C16A C17A C18A SADI 0.04 C13 C15 C13A C15A SIMU 0.01 0.02 2 C13 C14 C15 N7A C13A C14A C15A N7 EADP N7A N7 MORE -1 EQIV $1 -x, -y+1, -z+1 HTAB N8 Cl2_$1 EQIV $2 x+1, y, z HTAB C13 N1_$2 EQIV $3 -x+1, -y+1, -z+1 HTAB N8A N2_$3 HTAB C16A Cl2_$1 HTAB C17A Cl1_$3 EQIV $4 -x+1, -y+1, -z+2 HTAB N6 N3_$4 FMAP 2 53 53 PLAN 9 SIZE 0.080 0.130 0.250 ACTA BOND $H CONF LIST 4 L.S. 10 TEMP -100.91 WGHT 0.123400 FVAR 0.48073 0.72709 0.71963 P1 4 0.210504 0.295199 0.733973 11.00000 0.02631 0.02663 = 0.01961 0.00419 0.00631 0.00447 P2 4 0.146920 0.305984 0.512706 11.00000 0.03933 0.04207 = 0.01857 0.00060 0.00522 0.00796 P3 4 0.442596 0.420446 0.634620 11.00000 0.04200 0.03538 = 0.02352 0.00718 0.00902 -0.00199 CL1 5 0.137217 0.163664 0.413892 11.00000 0.07390 0.05630 = 0.04280 -0.01706 0.00949 0.01283 CL2 5 -0.033913 0.370754 0.422234 11.00000 0.06004 0.07335 = 0.03244 0.01289 -0.00081 0.02527 N1 3 0.087621 0.274689 0.617336 11.00000 0.03136 0.04223 = 0.02340 0.00820 0.00373 0.00740 N2 3 0.316804 0.382526 0.520056 11.00000 0.04407 0.05426 = 0.01790 0.00836 0.00843 0.00638 N3 3 0.386942 0.363617 0.733127 11.00000 0.02953 0.03416 = 0.01852 0.00438 0.00475 0.00323 N4 3 0.118418 0.345910 0.824081 11.00000 0.04166 0.02975 = 0.02413 0.00547 0.01353 0.01022 N5 3 0.227410 0.176879 0.788347 11.00000 0.03345 0.01860 = 0.03726 0.00470 0.01209 0.00280 N6 3 0.378983 0.623745 1.057840 11.00000 0.03055 0.04052 = 0.02825 0.00102 -0.00017 0.00640 PART 1 N7 3 0.631122 0.406454 0.637493 31.00000 0.02796 0.03818 = 0.04849 0.01161 0.00140 -0.01549 AFIX 43 H7 2 0.701784 0.464448 0.628178 31.00000 -1.20000 AFIX 0 N8 3 0.436391 0.557042 0.651256 21.00000 0.05128 0.03525 = 0.03235 0.00855 0.01030 0.00962 AFIX 43 H8 2 0.369040 0.585266 0.602452 21.00000 -1.20000 PART 0 AFIX 0 C1 1 0.084416 0.269587 0.902392 11.00000 0.05109 0.04437 = 0.02760 0.01100 0.02022 0.00519 AFIX 23 H1A 2 -0.029248 0.268976 0.914616 11.00000 -1.20000 H1B 2 0.164119 0.292211 0.971959 11.00000 -1.20000 AFIX 0 C2 1 0.103092 0.155843 0.853707 11.00000 0.04846 0.03676 = 0.03591 0.01569 0.01473 0.00284 AFIX 23 H2A 2 0.140056 0.108832 0.910790 11.00000 -1.20000 H2B 2 -0.003488 0.116647 0.808480 11.00000 -1.20000 AFIX 0 C3 1 0.254157 0.080396 0.721613 11.00000 0.04782 0.02869 = 0.06533 0.00678 0.01924 0.00831 AFIX 37 H3A 2 0.339802 0.104519 0.681698 11.00000 -1.50000 H3B 2 0.150708 0.048047 0.670718 11.00000 -1.50000 H3C 2 0.289971 0.023662 0.767494 11.00000 -1.50000 AFIX 0 C4 1 0.074115 0.457086 0.828865 11.00000 0.03968 0.04022 = 0.02794 -0.00041 0.00207 0.01793 AFIX 23 H4A 2 -0.040797 0.450863 0.840069 11.00000 -1.20000 H4B 2 0.075366 0.485392 0.758284 11.00000 -1.20000 AFIX 0 C5 1 0.304886 0.524677 0.997670 11.00000 0.03849 0.03736 = 0.03081 0.00550 0.00741 0.01351 AFIX 43 H5 2 0.333567 0.453249 1.011275 11.00000 -1.20000 AFIX 0 C6 1 0.183608 0.542240 0.915044 11.00000 0.02904 0.03108 = 0.02270 0.00100 0.00823 0.00952 C7 1 0.181285 0.660614 0.924701 11.00000 0.02758 0.03295 = 0.02375 0.00443 0.01171 0.00475 C8 1 0.086881 0.730203 0.867132 11.00000 0.04098 0.04252 = 0.02366 0.00865 0.00786 0.01002 AFIX 43 H8A 2 0.002649 0.699295 0.805993 11.00000 -1.20000 AFIX 0 C9 1 0.116390 0.843790 0.899350 11.00000 0.06168 0.03357 = 0.04683 0.01886 0.01174 0.01793 AFIX 43 H9 2 0.051021 0.891290 0.860839 11.00000 -1.20000 AFIX 0 C10 1 0.241255 0.890133 0.987971 11.00000 0.06706 0.03166 = 0.05023 0.01231 0.00782 -0.00348 AFIX 43 H10 2 0.259582 0.969004 1.008682 11.00000 -1.20000 AFIX 0 C11 1 0.338087 0.824913 1.045880 11.00000 0.04969 0.03729 = 0.03640 0.00540 0.00403 -0.00439 AFIX 43 H11 2 0.424254 0.857511 1.105368 11.00000 -1.20000 AFIX 0 C12 1 0.306563 0.709069 1.014994 11.00000 0.03251 0.03730 = 0.02348 0.00655 0.00743 0.00543 PART 1 C13 1 0.687996 0.301084 0.654981 31.00000 0.02820 0.04314 = 0.04642 -0.00102 0.00763 0.00349 AFIX 23 H13A 2 0.649273 0.273037 0.718053 31.00000 -1.20000 H13B 2 0.810592 0.315257 0.673147 31.00000 -1.20000 AFIX 0 C14 1 0.631825 0.210398 0.561402 31.00000 0.03283 0.03656 = 0.04988 -0.00035 0.00879 0.00710 AFIX 23 H14A 2 0.671169 0.237297 0.498099 31.00000 -1.20000 H14B 2 0.509253 0.195190 0.542937 31.00000 -1.20000 AFIX 0 C15 1 0.695524 0.101944 0.585227 31.00000 0.04550 0.06128 = 0.09020 -0.00643 0.00462 0.00044 AFIX 137 H15A 2 0.656033 0.045614 0.522057 31.00000 -1.50000 H15B 2 0.654788 0.073967 0.646805 31.00000 -1.50000 H15C 2 0.816898 0.116193 0.602208 31.00000 -1.50000 AFIX 0 C16 1 0.537427 0.632671 0.743074 21.00000 0.05183 0.03669 = 0.04246 0.00777 0.01166 0.00795 AFIX 23 H16A 2 0.655684 0.636810 0.739873 21.00000 -1.20000 H16B 2 0.521568 0.601532 0.810453 21.00000 -1.20000 AFIX 0 C17 1 0.494751 0.749280 0.745682 21.00000 0.05086 0.03756 = 0.04834 0.00309 0.01042 0.00937 AFIX 23 H17A 2 0.378034 0.746299 0.752346 21.00000 -1.20000 H17B 2 0.507052 0.780162 0.677603 21.00000 -1.20000 AFIX 0 C18 1 0.607841 0.825387 0.840204 21.00000 0.06189 0.05467 = 0.06427 -0.00114 0.00557 0.01079 AFIX 137 H18A 2 0.721946 0.834753 0.829483 21.00000 -1.50000 H18B 2 0.602349 0.791493 0.906911 21.00000 -1.50000 H18C 2 0.572179 0.899009 0.845192 21.00000 -1.50000 PART 2 AFIX 0 N8A 3 0.545387 0.548324 0.663860 -21.00000 0.03706 0.03377 = 0.03166 0.00497 0.01119 0.00573 AFIX 43 H8AA 2 0.642828 0.568860 0.648325 -21.00000 -1.20000 AFIX 0 C16A 1 0.460641 0.625285 0.718107 -21.00000 0.04846 0.03789 = 0.04290 0.00635 0.01017 0.00837 AFIX 23 H16C 2 0.423512 0.592324 0.779625 -21.00000 -1.20000 H16D 2 0.362623 0.641060 0.667657 -21.00000 -1.20000 AFIX 0 C17A 1 0.584212 0.732073 0.757096 -21.00000 0.05591 0.03839 = 0.05308 0.00126 0.01107 0.00580 AFIX 23 H17C 2 0.634292 0.754180 0.696047 -21.00000 -1.20000 H17D 2 0.673986 0.714454 0.813123 -21.00000 -1.20000 AFIX 0 C18A 1 0.521597 0.832919 0.802783 -21.00000 0.07024 0.05512 = 0.07441 0.00189 0.02443 0.00213 AFIX 137 H18D 2 0.428410 0.849589 0.750157 -21.00000 -1.50000 H18E 2 0.610859 0.898068 0.818622 -21.00000 -1.50000 H18F 2 0.484929 0.816478 0.869189 -21.00000 -1.50000 AFIX 0 N7A 3 0.603679 0.370191 0.609787 -31.00000 0.02796 0.03818 = 0.04849 0.01161 0.00140 -0.01549 AFIX 43 H7A 2 0.692375 0.421262 0.615087 -31.00000 -1.20000 AFIX 0 C13A 1 0.626571 0.256084 0.580484 -31.00000 0.02943 0.03973 = 0.04903 0.00412 0.00819 0.00067 AFIX 23 H13C 2 0.706340 0.259075 0.532163 -31.00000 -1.20000 H13D 2 0.519522 0.214150 0.538279 -31.00000 -1.20000 AFIX 0 C14A 1 0.686763 0.189184 0.670628 -31.00000 0.02615 0.04478 = 0.04967 -0.00002 0.01187 0.00738 AFIX 23 H14C 2 0.615885 0.195061 0.724081 -31.00000 -1.20000 H14D 2 0.800387 0.225731 0.706672 -31.00000 -1.20000 AFIX 0 C15A 1 0.690337 0.066038 0.642210 -31.00000 0.04166 0.05840 = 0.06471 0.02055 0.01758 0.00514 AFIX 137 H15D 2 0.589140 0.032232 0.589831 -31.00000 -1.50000 H15E 2 0.697155 0.027763 0.707378 -31.00000 -1.50000 H15F 2 0.787037 0.058141 0.610964 -31.00000 -1.50000 AFIX 0 PART 0 H6 2 0.457236 0.633746 1.112769 11.00000 0.07313 HKLF 4 REM 24gtu155_inmetprop_0m_a.res in P-1 REM wR2 = 0.2451, GooF = S = 0.988, Restrained GooF = 0.979 for all data REM R1 = 0.0887 for 3089 Fo > 4sig(Fo) and 0.1375 for all 5638 data REM 357 parameters refined using 206 restraints END WGHT 0.1234 0.0000 REM Highest difference peak 0.818, deepest hole -0.539, 1-sigma level 0.119 Q1 1 0.0194 0.4236 0.6342 11.00000 0.05 0.82 Q2 1 0.6278 0.2983 0.7391 11.00000 0.05 0.77 Q3 1 0.8147 0.2960 0.7364 11.00000 0.05 0.75 Q4 1 0.5654 0.3105 0.5138 11.00000 0.05 0.74 Q5 1 0.4289 0.2967 0.7368 11.00000 0.05 0.70 Q6 1 0.8379 0.4223 0.6339 11.00000 0.05 0.67 Q7 1 0.7163 0.1623 0.4163 11.00000 0.05 0.65 Q8 1 0.7321 0.3055 0.5075 11.00000 0.05 0.64 Q9 1 0.4399 0.6310 0.5789 11.00000 0.05 0.63 ; _shelx_res_checksum 74794 _shelx_hkl_file ; -1 0 0 39.40 3.80 -1 0 0 37.00 3.60 1 0 0 38.60 3.60 1 0 0 35.70 3.40 1 0 0 32.30 3.40 -2 0 0 40.70 5.60 2 0 0 51.69 5.70 2 0 0 45.10 5.20 2 0 0 41.80 5.90 3 0 0 49.00 6.60 3 0 0 53.59 7.40 3 0 0 43.50 7.00 -4 0 0 417.36 29.90 4 0 0 362.26 28.50 4 0 0 370.86 28.30 4 0 0 375.36 29.00 -5 0 0 2.10 3.70 5 0 0 2.30 3.40 5 0 0 -0.30 2.60 5 0 0 5.60 4.30 -6 0 0 5.80 5.70 6 0 0 0.40 3.80 6 0 0 0.90 4.40 6 0 0 1.00 4.30 -7 0 0 3.30 5.90 7 0 0 1.60 3.40 7 0 0 1.90 5.00 -8 0 0 -3.10 7.30 8 0 0 12.10 7.90 8 0 0 7.20 6.50 -9 0 0 16.40 9.60 9 0 0 9.20 8.30 9 0 0 5.20 9.80 -10 0 0 0.20 8.90 10 0 0 -0.30 9.30 10 -1 0 18.20 11.60 -10 1 0 9.80 10.60 9 -1 0 4.70 8.30 -9 1 0 -0.30 7.70 8 -1 0 12.50 8.90 -8 1 0 10.70 8.30 7 -1 0 45.10 11.70 7 -1 0 38.60 9.80 -7 1 0 60.29 12.80 6 -1 0 64.49 11.30 6 -1 0 72.19 10.70 6 -1 0 61.69 12.00 -6 1 0 66.79 12.30 5 -1 0 77.09 10.60 5 -1 0 74.49 11.40 5 -1 0 81.79 12.20 -5 1 0 93.29 13.40 4 -1 0 324.57 25.10 4 -1 0 355.46 26.10 4 -1 0 316.37 25.50 3 -1 0 19.30 5.00 3 -1 0 9.30 3.10 3 -1 0 19.30 4.50 2 -1 0 193.48 15.40 2 -1 0 206.98 14.70 2 -1 0 197.68 14.90 1 -1 0 1084.49 67.99 -1 1 0 1029.70 68.89 -1 1 0 1141.89 68.39 0 -1 0 2976.70 199.28 0 -1 0 3658.53 200.08 0 1 0 2862.21 198.98 0 1 0 2921.21 199.08 0 1 0 3677.13 200.08 -1 -1 0 70.79 5.70 -1 -1 0 60.39 5.50 1 1 0 59.79 5.30 1 1 0 66.19 5.50 1 1 0 60.99 5.50 -2 -1 0 3717.13 233.98 2 1 0 3678.43 233.68 2 1 0 4010.90 234.08 2 1 0 3582.94 233.68 -3 -1 0 106.49 11.30 3 1 0 121.39 11.20 3 1 0 116.59 11.50 3 1 0 117.19 11.10 -4 -1 0 574.24 40.60 4 1 0 585.74 40.20 4 1 0 551.44 39.40 4 1 0 512.85 39.70 -5 -1 0 44.70 10.20 5 1 0 57.79 10.30 5 1 0 61.29 11.30 5 1 0 80.79 9.80 -6 -1 0 35.60 10.20 6 1 0 35.30 9.00 6 1 0 46.60 10.10 6 1 0 38.70 10.30 -7 -1 0 25.20 9.20 7 1 0 25.70 8.70 7 1 0 22.40 8.50 -8 -1 0 107.39 19.40 8 1 0 113.89 19.10 8 1 0 101.19 18.10 -9 -1 0 -1.30 7.10 9 1 0 2.20 7.30 9 1 0 -0.10 7.20 -10 -1 0 9.40 10.90 10 1 0 13.50 12.40 10 -2 0 25.60 12.90 -10 2 0 18.90 11.00 9 -2 0 0.20 8.70 -9 2 0 2.50 7.90 8 -2 0 1.30 7.00 -8 2 0 -2.30 6.30 7 -2 0 36.70 9.60 -7 2 0 28.40 10.00 6 -2 0 28.30 8.50 6 -2 0 34.20 9.60 -6 2 0 23.90 8.20 5 -2 0 11.60 5.20 5 -2 0 36.00 8.70 4 -2 0 309.47 25.20 4 -2 0 307.17 24.30 3 -2 0 165.18 15.10 3 -2 0 163.28 14.00 2 -2 0 244.68 18.00 -2 2 0 255.57 20.50 1 -2 0 587.64 41.00 1 -2 0 685.83 44.00 1 -2 0 702.53 41.40 -1 2 0 623.04 40.90 -1 2 0 669.33 44.40 0 -2 0 2648.24 174.18 0 -2 0 3081.09 174.78 0 2 0 2841.72 174.48 0 2 0 2729.03 174.28 -1 -2 0 318.77 22.40 1 2 0 372.86 22.70 1 2 0 365.26 22.80 1 2 0 299.17 23.60 -3 -2 0 137.59 13.30 3 2 0 143.09 13.10 3 2 0 151.98 13.40 3 2 0 146.29 13.50 -4 -2 0 37.40 8.00 4 2 0 46.40 8.60 4 2 0 40.00 8.20 4 2 0 43.90 7.90 -5 -2 0 3.00 3.80 5 2 0 10.90 5.60 5 2 0 6.50 4.50 5 2 0 9.10 4.80 -6 -2 0 138.39 18.60 6 2 0 109.89 16.60 6 2 0 140.69 18.70 6 2 0 111.39 13.50 -7 -2 0 43.30 11.00 7 2 0 46.20 11.80 7 2 0 44.00 11.00 -8 -2 0 55.29 14.00 8 2 0 53.69 13.40 8 2 0 61.99 14.50 -9 -2 0 13.50 9.40 9 2 0 1.70 7.20 9 2 0 7.80 8.70 -10 -2 0 19.80 13.20 10 2 0 -3.60 12.20 10 2 0 2.80 9.50 10 -3 0 4.20 10.40 -10 3 0 5.40 10.00 9 -3 0 6.40 8.90 -9 3 0 7.50 10.10 8 -3 0 0.60 6.20 -8 3 0 1.20 6.50 7 -3 0 13.10 8.90 7 -3 0 2.70 4.90 -7 3 0 11.00 10.20 -7 3 0 11.70 8.10 6 -3 0 65.19 12.20 6 -3 0 66.49 13.60 -6 3 0 47.90 13.90 5 -3 0 117.99 14.70 5 -3 0 130.99 14.10 -5 3 0 110.69 15.90 4 -3 0 29.00 6.40 4 -3 0 34.50 8.90 -4 3 0 25.30 8.40 3 -3 0 76.29 8.50 3 -3 0 77.69 10.30 -3 3 0 80.79 11.00 2 -3 0 260.57 21.40 2 -3 0 249.88 18.20 -2 3 0 250.67 17.50 -2 3 0 262.17 22.10 1 -3 0 22.50 2.60 1 -3 0 29.50 6.60 -1 3 0 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231.98 22.40 3 -5 0 199.68 16.60 -3 5 0 230.38 23.20 -3 5 0 197.28 15.30 2 -5 0 497.85 32.30 2 -5 0 461.75 38.20 -2 5 0 508.55 39.60 -2 5 0 465.75 31.20 1 -5 0 1249.47 77.79 -1 5 0 1294.67 77.89 -1 5 0 1166.68 85.09 0 -5 0 10.10 1.70 0 5 0 12.10 2.60 0 5 0 16.00 6.50 -1 -5 0 189.68 14.10 1 5 0 189.58 18.90 1 5 0 225.68 15.70 -2 -5 0 465.25 31.80 2 5 0 412.46 35.00 2 5 0 525.05 33.40 3 5 0 64.69 12.40 3 5 0 56.59 9.30 -4 -5 0 21.10 6.60 4 5 0 45.40 10.50 4 5 0 40.30 8.40 5 5 0 57.59 12.90 5 5 0 51.49 10.30 -6 -5 0 42.20 10.90 6 5 0 36.30 10.10 -7 -5 0 6.20 6.70 7 5 0 10.00 7.00 -8 -5 0 11.10 8.70 8 5 0 3.00 7.40 -9 -5 0 -6.60 7.50 9 5 0 -1.10 7.60 10 -6 0 7.30 10.10 -10 6 0 -4.30 12.40 9 -6 0 17.00 10.00 -9 6 0 -3.40 7.40 8 -6 0 14.90 8.10 -8 6 0 19.20 9.20 7 -6 0 3.60 4.90 7 -6 0 4.10 9.10 -7 6 0 -1.60 10.60 6 -6 0 1.80 4.40 6 -6 0 9.50 7.80 -6 6 0 5.90 3.70 -6 6 0 3.50 8.30 5 -6 0 17.40 9.00 5 -6 0 6.70 4.30 -5 6 0 19.70 9.80 -5 6 0 15.10 4.20 4 -6 0 68.89 9.80 4 -6 0 55.69 13.90 -4 6 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162.28 11.90 2 -7 0 143.69 11.80 -2 7 0 153.28 11.10 -2 7 0 141.69 19.50 1 -7 0 214.08 15.00 -1 7 0 229.58 15.80 -1 7 0 194.68 23.30 0 -7 0 348.47 23.60 0 7 0 412.16 33.90 0 7 0 342.77 25.20 -1 -7 0 20.40 3.20 1 7 0 16.50 8.30 1 7 0 12.90 4.00 -2 -7 0 194.58 15.70 2 7 0 220.48 22.40 2 7 0 203.78 17.70 3 7 0 246.98 20.90 3 7 0 216.48 22.70 -4 -7 0 0.80 4.00 4 7 0 1.60 6.60 4 7 0 -0.30 3.70 -5 -7 0 0.50 4.70 5 7 0 1.20 4.50 5 7 0 -2.50 6.30 -6 -7 0 20.90 9.30 6 7 0 19.00 8.20 -7 -7 0 4.20 7.20 7 7 0 24.50 10.40 -8 -7 0 25.80 11.30 8 7 0 22.30 11.20 9 -8 0 45.40 14.00 -9 8 0 8.70 10.40 8 -8 0 6.30 7.80 -8 8 0 2.30 8.30 7 -8 0 1.60 5.70 -7 8 0 0.80 9.70 -7 8 0 1.00 4.90 6 -8 0 1.50 5.20 -6 8 0 0.40 3.80 -6 8 0 -2.20 6.70 5 -8 0 -0.30 4.00 -5 8 0 4.50 3.30 -5 8 0 10.20 10.80 4 -8 0 73.79 10.80 -4 8 0 81.29 20.30 -4 8 0 80.49 7.80 3 -8 0 180.78 15.80 -3 8 0 191.88 24.80 -3 8 0 200.28 14.40 2 -8 0 442.76 30.10 -2 8 0 382.66 39.70 -2 8 0 474.25 29.80 1 -8 0 207.98 14.30 -1 8 0 193.18 15.10 -1 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10.10 7 7 -3 18.30 9.70 -7 -7 3 25.60 10.70 6 7 -3 -3.80 7.00 6 7 -3 -1.40 5.00 -6 -7 3 -1.50 5.80 5 7 -3 3.00 5.20 5 7 -3 9.70 9.50 -5 -7 3 3.00 4.60 4 7 -3 -0.10 3.50 4 7 -3 -0.60 7.00 -4 -7 3 1.40 3.40 3 7 -3 167.78 16.70 3 7 -3 173.78 21.00 -3 -7 3 161.98 14.90 2 7 -3 93.99 10.60 2 7 -3 93.29 15.20 -2 -7 3 97.49 9.20 1 7 -3 3.20 2.60 1 7 -3 -0.30 4.70 -1 -7 3 4.70 2.00 0 7 -3 512.35 36.10 0 7 -3 616.14 46.30 0 -7 3 535.15 36.30 -1 7 -3 315.87 32.00 -1 7 -3 351.46 23.10 1 -7 3 369.96 24.90 1 -7 3 368.16 23.00 -2 7 -3 281.87 29.10 2 -7 3 304.97 22.10 -3 7 -3 41.00 3.50 -3 7 -3 43.90 13.10 3 -7 3 39.70 7.10 -4 7 -3 3.80 6.10 -4 7 -3 -0.90 1.80 4 -7 3 -3.20 2.70 -5 7 -3 5.80 7.60 5 -7 3 -1.20 3.90 -6 7 -3 11.70 9.50 6 -7 3 9.00 6.10 7 -7 3 72.39 14.10 8 -7 3 30.10 10.90 9 -7 3 17.50 10.40 9 6 -3 13.70 12.10 -9 -6 3 43.50 14.60 8 6 -3 47.40 14.50 -8 -6 3 34.60 12.70 7 6 -3 4.60 6.50 -7 -6 3 -1.20 5.50 6 6 -3 6.60 5.90 6 6 -3 17.40 9.80 -6 -6 3 10.30 7.70 5 6 -3 5.50 8.80 5 6 -3 10.30 6.10 -5 -6 3 4.20 4.40 4 6 -3 6.60 4.90 4 6 -3 2.20 6.80 -4 -6 3 5.90 3.90 3 6 -3 512.05 42.50 3 6 -3 539.05 38.60 -3 -6 3 509.05 36.80 2 6 -3 34.40 9.20 2 6 -3 17.10 5.00 1 6 -3 193.78 15.10 1 6 -3 175.78 20.00 -1 -6 3 193.58 14.30 0 6 -3 479.65 33.90 0 6 -3 603.24 43.10 0 -6 3 502.95 34.30 -1 6 -3 81.99 5.80 -1 6 -3 88.59 13.30 1 -6 3 92.59 8.00 -2 6 -3 79.69 13.10 2 -6 3 79.49 8.20 -3 6 -3 131.69 9.40 -3 6 -3 117.39 16.20 3 -6 3 156.68 13.10 -4 6 -3 85.79 16.70 4 -6 3 74.09 11.10 5 -6 3 182.78 18.20 -6 6 -3 3.60 7.40 6 -6 3 2.80 4.60 7 -6 3 24.80 9.40 8 -6 3 25.70 10.70 9 -6 3 14.60 11.30 9 5 -3 -3.30 8.60 -9 -5 3 4.90 9.60 8 5 -3 17.70 10.10 -8 -5 3 29.30 12.50 7 5 -3 3.70 6.90 7 5 -3 1.10 9.50 -7 -5 3 1.30 5.80 6 5 -3 8.70 9.10 6 5 -3 10.50 6.80 -6 -5 3 8.40 6.30 5 5 -3 58.89 11.90 5 5 -3 65.79 16.00 -5 -5 3 63.49 11.60 4 5 -3 3.40 3.50 4 5 -3 0.00 5.30 -4 -5 3 1.80 3.70 3 5 -3 5.20 4.10 3 5 -3 1.60 6.60 -3 -5 3 1.50 2.70 1 5 -3 392.46 34.30 1 5 -3 457.65 29.60 -1 -5 3 430.16 28.90 0 5 -3 407.16 28.80 0 5 -3 505.05 36.40 0 -5 3 443.56 29.60 -1 5 -3 11.90 5.90 1 -5 3 11.40 2.80 -2 5 -3 81.49 11.80 -2 5 -3 95.29 5.80 -2 5 -3 84.69 5.60 2 -5 3 70.39 8.00 -3 5 -3 123.29 15.00 3 -5 3 131.29 12.40 -4 5 -3 149.49 17.20 4 -5 3 152.88 15.10 -5 5 -3 377.56 32.10 -6 5 -3 3.70 7.60 6 -5 3 3.30 4.50 7 -5 3 42.80 11.20 8 -5 3 20.40 9.50 9 -5 3 -4.70 9.10 -9 -4 3 30.10 12.40 8 4 -3 -8.70 5.50 -8 -4 3 7.60 8.70 7 4 -3 45.70 12.50 -7 -4 3 96.99 16.70 6 4 -3 57.49 14.80 6 4 -3 59.99 12.60 -6 -4 3 54.39 12.30 5 4 -3 46.70 9.60 5 4 -3 41.20 12.30 -5 -4 3 16.90 7.00 4 4 -3 2.40 7.20 4 4 -3 1.60 3.00 -4 -4 3 5.70 4.10 3 4 -3 16.50 7.40 3 4 -3 16.90 4.90 -3 -4 3 6.30 3.20 2 4 -3 9.70 4.50 2 4 -3 2.00 2.30 -2 -4 3 1.00 1.90 1 4 -3 133.99 10.60 1 4 -3 120.99 14.30 -1 -4 3 136.49 10.40 0 4 -3 34.80 8.30 0 -4 3 15.90 2.90 0 -4 3 13.70 2.00 -1 4 -3 2.00 3.70 1 -4 3 10.80 2.50 -2 4 -3 133.39 15.10 -2 4 -3 162.88 10.30 2 -4 3 148.29 12.50 -3 4 -3 55.09 10.70 3 -4 3 47.50 5.30 3 -4 3 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43.80 13.30 -4 4 4 43.60 7.80 -4 4 4 35.30 7.00 3 -4 -4 0.00 4.60 -3 4 4 1.10 2.20 -3 4 4 2.20 2.20 -2 4 4 43.70 4.40 -2 4 4 57.59 6.00 -1 4 4 248.08 16.50 -1 4 4 273.07 18.60 0 -4 -4 154.48 15.90 0 4 4 123.89 10.60 0 4 4 120.79 9.50 -1 -4 -4 190.28 18.50 1 4 4 188.28 15.10 1 4 4 194.38 14.60 2 4 4 54.49 9.40 2 4 4 74.59 7.90 2 4 4 81.89 8.40 3 4 4 2.30 2.70 3 4 4 1.30 3.70 3 4 4 0.80 2.30 -4 -4 -4 404.96 31.90 4 4 4 402.16 31.40 4 4 4 388.46 31.00 -5 -4 -4 54.89 11.30 5 4 4 47.10 11.20 5 4 4 56.19 10.60 -6 -4 -4 68.09 14.00 6 4 4 48.50 10.80 6 4 4 47.50 11.70 -7 -4 -4 14.20 9.40 7 4 4 9.80 8.20 7 4 4 11.60 7.40 -8 -4 -4 -1.60 9.30 8 4 4 7.50 10.10 8 4 4 3.30 7.50 -10 5 4 15.80 8.90 -10 5 4 16.00 12.50 9 -5 -4 -0.80 7.30 9 -5 -4 0.30 9.70 -9 5 4 -3.90 4.40 -9 5 4 4.00 8.10 8 -5 -4 4.30 6.40 8 -5 -4 4.60 11.00 -8 5 4 6.60 7.10 -8 5 4 5.50 5.20 7 -5 -4 50.89 17.40 7 -5 -4 48.50 11.30 -7 5 4 46.00 11.70 -7 5 4 36.00 8.70 6 -5 -4 9.40 10.40 6 -5 -4 16.20 6.40 -6 5 4 17.70 7.40 -6 5 4 19.30 6.60 5 -5 -4 114.69 19.30 -5 5 4 127.59 13.40 -5 5 4 126.69 14.10 4 -5 -4 16.00 9.10 -4 5 4 11.20 4.10 -4 5 4 8.50 4.30 -3 5 4 50.19 6.10 -3 5 4 58.39 7.90 2 -5 -4 18.80 8.90 -2 5 4 11.50 1.80 -2 5 4 10.60 3.00 1 -5 -4 16.80 7.90 -1 5 4 12.80 3.20 0 -5 -4 1117.99 70.29 0 5 4 868.11 60.19 0 5 4 937.91 62.39 -1 -5 -4 14.00 6.70 1 5 4 14.70 3.90 1 5 4 16.60 3.50 2 5 4 21.80 5.10 2 5 4 24.50 5.50 2 5 4 28.20 8.90 -3 -5 -4 128.09 13.70 3 5 4 133.99 14.30 -4 -5 -4 3.80 4.60 4 5 4 -0.80 2.90 4 5 4 2.20 4.50 -5 -5 -4 54.49 11.40 5 5 4 56.69 11.20 5 5 4 31.50 8.60 -6 -5 -4 78.29 14.80 6 5 4 70.79 14.70 6 5 4 69.09 13.30 -7 -5 -4 6.80 8.10 7 5 4 3.90 7.80 7 5 4 7.50 6.90 -8 -5 -4 2.30 10.50 8 5 4 2.30 10.10 8 5 4 0.20 6.90 -10 6 4 17.20 8.80 -10 6 4 4.10 13.10 9 -6 -4 1.40 11.70 9 -6 -4 -1.30 7.70 -9 6 4 2.70 8.50 -9 6 4 6.00 15.40 -9 6 4 7.70 8.00 8 -6 -4 34.00 10.40 8 -6 -4 22.30 13.70 -8 6 4 25.10 8.30 -8 6 4 14.20 14.30 -8 6 4 28.30 11.80 7 -6 -4 3.80 10.20 7 -6 -4 1.60 6.10 -7 6 4 4.70 6.40 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16.90 11.20 -5 8 4 3.70 3.90 4 -8 -4 43.40 16.00 -4 8 4 32.90 15.20 -4 8 4 43.10 7.50 3 -8 -4 52.99 15.90 -3 8 4 37.80 6.50 -3 8 4 32.20 12.40 2 -8 -4 55.39 16.60 -2 8 4 61.29 8.00 1 -8 -4 69.29 17.10 -1 8 4 71.19 9.20 0 8 4 156.38 21.90 0 8 4 153.88 14.00 1 8 4 114.19 22.40 1 8 4 131.39 13.00 2 8 4 30.50 10.40 3 8 4 5.50 4.60 3 8 4 5.10 8.00 4 8 4 -2.40 3.80 5 8 4 13.90 7.40 6 8 4 40.00 11.70 7 8 4 7.10 8.80 9 -9 -4 4.90 18.60 -9 9 4 4.00 20.70 -9 9 4 13.70 8.60 8 -9 -4 17.20 15.80 -8 9 4 30.00 19.80 -8 9 4 37.50 9.80 7 -9 -4 -1.20 12.40 -7 9 4 -2.30 14.20 -7 9 4 -4.50 4.70 6 -9 -4 17.30 14.70 -6 9 4 34.90 19.00 -6 9 4 28.60 7.10 5 -9 -4 7.20 9.50 -5 9 4 1.80 3.80 -5 9 4 6.40 11.50 4 -9 -4 79.29 21.40 -4 9 4 72.79 9.90 3 -9 -4 138.19 22.60 -3 9 4 138.69 29.20 -3 9 4 140.59 12.80 2 -9 -4 27.30 12.70 -2 9 4 18.60 4.80 -2 9 4 32.10 15.90 -1 9 4 0.00 2.20 -1 9 4 5.60 9.20 0 9 4 14.80 4.60 0 9 4 3.90 8.20 1 9 4 227.98 19.20 1 9 4 187.58 26.30 2 9 4 29.10 10.70 2 9 4 57.49 9.90 3 9 4 34.20 8.60 4 9 4 14.30 7.00 5 9 4 29.00 9.60 6 9 4 -1.00 7.20 9 -10 -4 -0.50 15.20 -9 10 4 10.60 18.90 8 -10 -4 11.30 15.30 -8 10 4 6.20 8.70 -8 10 4 22.50 18.10 7 -10 -4 -2.80 10.90 -7 10 4 0.00 12.00 -7 10 4 -2.80 4.10 6 -10 -4 40.30 20.30 -6 10 4 38.50 20.30 -6 10 4 37.30 8.00 5 -10 -4 155.08 31.30 -5 10 4 160.68 15.00 -5 10 4 120.49 29.90 4 -10 -4 -3.40 9.20 -4 10 4 3.10 11.40 -4 10 4 1.30 3.10 3 -10 -4 56.49 18.80 -3 10 4 65.79 9.10 -3 10 4 59.89 20.40 2 -10 -4 8.10 10.90 -2 10 4 4.30 3.10 -2 10 4 -7.80 9.40 -1 10 4 35.70 16.50 -1 10 4 37.10 7.20 0 10 4 21.30 14.20 0 10 4 9.40 4.90 1 10 4 16.70 13.60 1 10 4 39.40 8.30 2 10 4 120.39 23.90 2 10 4 84.49 13.60 3 10 4 60.89 11.90 4 10 4 1.30 5.30 5 10 4 69.49 15.30 8 -11 -4 3.10 15.10 -8 11 4 8.40 16.20 7 -11 -4 -1.40 13.00 -7 11 4 5.60 14.20 6 -11 -4 -1.10 11.70 -6 11 4 -4.30 10.70 -6 11 4 2.80 4.90 5 -11 -4 62.19 22.40 -5 11 4 39.90 19.00 -5 11 4 45.90 8.50 4 -11 -4 9.90 13.90 -4 11 4 8.40 4.80 -4 11 4 6.50 11.70 -3 11 4 62.79 9.30 -3 11 4 29.90 16.50 -2 11 4 1.50 9.60 -2 11 4 21.10 5.90 -1 11 4 -4.50 8.80 -1 11 4 1.30 3.10 0 11 4 -0.20 9.00 0 11 4 -2.00 2.90 1 11 4 117.19 26.20 1 11 4 127.19 14.80 2 11 4 7.40 5.30 2 11 4 0.20 8.10 3 11 4 8.30 5.80 4 11 4 37.90 11.20 7 -12 -4 19.20 18.90 -7 12 4 7.90 17.30 6 -12 -4 11.80 18.40 -6 12 4 3.00 12.80 5 -12 -4 5.20 13.90 -5 12 4 24.00 16.50 -4 12 4 -4.20 10.30 -4 12 4 2.90 5.00 -3 12 4 6.60 11.90 -3 12 4 3.40 4.00 -2 12 4 -1.50 3.40 -2 12 4 1.50 11.70 -1 12 4 6.70 12.30 -1 12 4 6.80 5.00 0 12 4 16.40 13.60 0 12 4 101.19 13.20 1 12 4 24.10 7.60 1 12 4 5.50 11.50 2 12 4 26.50 9.60 2 12 4 13.90 11.70 3 12 4 59.49 13.00 4 12 4 1.80 7.30 -6 13 4 10.90 17.10 -5 13 4 3.70 14.30 -4 13 4 3.80 11.20 -3 13 4 5.00 12.20 -3 13 4 5.20 5.10 -2 13 4 1.60 4.90 -2 13 4 0.30 11.50 -1 13 4 33.30 8.70 -1 13 4 34.60 19.20 0 13 4 17.30 7.50 0 13 4 21.40 17.50 1 13 4 4.70 6.40 1 13 4 -1.30 14.10 2 13 4 15.00 8.00 2 13 4 18.50 17.00 -5 14 4 11.00 18.80 -4 14 4 10.20 15.60 -3 14 4 -3.00 12.10 -2 14 4 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12.60 -6 -11 5 0.80 8.00 5 11 -5 30.60 15.20 -5 -11 5 42.30 9.70 4 11 -5 1.70 10.30 -4 -11 5 -0.60 3.90 3 11 -5 4.70 10.50 -3 -11 5 43.00 7.70 2 11 -5 36.40 16.00 -2 -11 5 57.59 8.80 1 11 -5 209.38 30.30 -1 -11 5 238.68 19.00 0 11 -5 49.20 17.30 0 -11 5 45.60 8.00 -1 11 -5 32.70 14.10 1 -11 5 28.20 6.40 -2 11 -5 36.40 14.60 2 -11 5 29.10 7.30 -3 11 -5 22.60 15.40 3 -11 5 26.30 7.70 -4 11 -5 -5.80 8.80 4 -11 5 -0.60 4.70 -5 11 -5 25.20 16.80 5 -11 5 7.50 8.20 6 -11 5 16.90 9.10 7 -11 5 3.30 8.40 7 10 -5 9.20 12.80 -7 -10 5 1.20 8.90 6 10 -5 5.10 12.10 6 10 -5 21.80 12.50 -6 -10 5 12.40 7.90 5 10 -5 1.20 9.60 5 10 -5 -2.60 6.50 -5 -10 5 -0.70 5.80 4 10 -5 2.70 9.10 4 10 -5 4.90 5.90 -4 -10 5 -1.10 3.60 3 10 -5 17.40 7.00 3 10 -5 3.00 9.60 -3 -10 5 14.50 4.80 2 10 -5 6.80 9.30 -2 -10 5 5.70 3.70 1 10 -5 238.58 31.10 -1 -10 5 281.57 20.90 0 10 -5 8.10 10.30 0 -10 5 4.00 3.60 -1 10 -5 13.70 10.30 1 -10 5 19.70 5.30 -2 10 -5 20.70 11.30 -3 10 -5 6.20 9.30 3 -10 5 3.60 4.30 -4 10 -5 2.00 8.90 4 -10 5 7.80 6.00 -5 10 -5 66.69 21.10 5 -10 5 42.90 10.40 6 -10 5 8.30 8.30 7 -10 5 -3.70 8.40 8 -10 5 4.90 9.40 7 9 -5 10.30 10.00 7 9 -5 5.40 14.00 -7 -9 5 18.00 10.40 6 9 -5 5.20 8.00 6 9 -5 4.10 10.60 -6 -9 5 1.90 5.90 5 9 -5 28.60 10.80 5 9 -5 40.80 15.20 -5 -9 5 47.20 10.10 4 9 -5 3.90 8.80 4 9 -5 9.10 7.00 -4 -9 5 10.00 5.00 3 9 -5 5.50 5.00 3 9 -5 10.40 9.20 -3 -9 5 3.20 2.90 2 9 -5 231.58 20.60 2 9 -5 238.58 29.30 -2 -9 5 243.88 19.20 1 9 -5 16.60 12.10 -1 -9 5 15.50 4.60 0 9 -5 31.60 14.30 0 -9 5 39.80 6.30 -1 9 -5 131.99 20.70 1 -9 5 152.08 13.70 -2 9 -5 92.19 19.30 2 -9 5 46.20 8.20 -3 9 -5 17.80 11.20 3 -9 5 23.20 7.00 -4 9 -5 0.50 7.70 4 -9 5 -3.30 3.30 -5 9 -5 166.38 28.70 5 -9 5 124.19 17.70 6 -9 5 12.70 8.70 7 -9 5 53.29 13.10 8 -9 5 0.20 8.10 -8 -8 5 -1.40 7.70 7 8 -5 14.90 9.70 7 8 -5 15.90 14.00 -7 -8 5 23.30 9.60 6 8 -5 28.10 10.60 6 8 -5 25.30 15.80 -6 -8 5 29.00 10.50 5 8 -5 38.00 10.60 5 8 -5 11.50 10.50 -5 -8 5 34.40 8.50 4 8 -5 14.40 9.80 4 8 -5 29.80 9.00 -4 -8 5 30.70 7.30 3 8 -5 89.79 19.60 3 8 -5 90.29 13.40 -3 -8 5 95.69 10.40 2 8 -5 221.78 25.80 2 8 -5 141.89 15.90 -2 -8 5 208.98 15.90 1 8 -5 3.90 7.40 -1 -8 5 7.70 3.00 0 8 -5 10.50 9.30 0 -8 5 15.60 4.00 -1 8 -5 5.60 7.20 1 -8 5 -3.30 2.50 -2 8 -5 12.00 7.90 2 -8 5 2.40 2.80 -3 8 -5 111.09 21.40 3 -8 5 87.29 12.10 -4 8 -5 12.80 10.90 4 -8 5 8.10 5.20 -5 8 -5 71.79 17.50 5 -8 5 45.70 10.20 6 -8 5 7.40 6.10 7 -8 5 32.60 10.70 8 -8 5 23.30 12.10 -8 -7 5 5.10 7.70 7 7 -5 11.90 13.80 7 7 -5 10.20 8.30 -7 -7 5 16.30 8.70 6 7 -5 89.49 17.00 6 7 -5 78.19 20.90 -6 -7 5 98.99 16.30 5 7 -5 15.90 7.50 -5 -7 5 19.00 7.30 4 7 -5 -2.40 6.60 4 7 -5 4.00 4.50 -4 -7 5 6.10 4.60 3 7 -5 210.18 25.00 3 7 -5 199.08 18.30 -3 -7 5 174.68 16.40 2 7 -5 73.89 16.70 2 7 -5 66.19 9.60 -2 -7 5 67.39 7.80 1 7 -5 102.29 16.80 -1 -7 5 113.99 10.20 0 7 -5 98.59 18.30 0 -7 5 63.89 7.70 -1 7 -5 6.50 7.00 1 -7 5 5.80 2.90 -2 7 -5 7.20 6.50 2 -7 5 2.60 2.80 -3 7 -5 45.10 12.50 3 -7 5 40.80 8.00 -4 7 -5 42.20 13.40 4 -7 5 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183.08 16.80 -2 -5 5 52.79 7.10 1 5 -5 122.99 16.90 -1 -5 5 152.98 11.90 0 5 -5 187.88 19.70 0 -5 5 154.78 12.90 0 -5 5 158.68 11.00 -1 5 -5 391.26 34.60 1 -5 5 441.36 29.30 -2 5 -5 31.40 8.90 -2 5 -5 21.20 1.80 2 -5 5 25.50 5.10 -3 5 -5 3.40 5.60 3 -5 5 1.90 1.70 3 -5 5 1.40 2.40 -4 5 -5 102.39 14.30 4 -5 5 113.19 12.80 4 -5 5 124.39 10.60 -5 5 -5 203.58 20.40 5 -5 5 191.28 19.30 5 -5 5 206.78 17.40 6 -5 5 35.50 9.40 7 -5 5 6.30 6.00 8 -5 5 29.10 10.90 9 -5 5 0.00 8.10 -9 -4 5 10.30 9.70 8 4 -5 21.90 12.90 -8 -4 5 16.50 9.90 7 4 -5 4.90 9.10 -7 -4 5 2.00 6.00 6 4 -5 20.70 12.90 -6 -4 5 39.20 10.60 5 4 -5 59.89 16.40 -5 -4 5 46.10 10.30 4 4 -5 26.70 11.60 -4 -4 5 16.00 5.90 3 4 -5 308.07 29.50 -3 -4 5 263.87 22.00 -2 -4 5 25.50 4.80 1 4 -5 16.70 8.20 -1 -4 5 12.50 3.30 0 4 -5 721.93 50.39 0 -4 5 658.03 43.90 0 -4 5 632.94 42.00 -1 4 -5 1122.29 76.99 -1 4 -5 1180.68 83.79 1 -4 5 1352.36 79.39 1 -4 5 1280.57 76.59 2 -4 5 188.38 15.40 2 -4 5 183.98 13.10 -3 4 -5 117.89 13.20 3 -4 5 115.79 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15.50 8.00 5 9 -7 16.70 12.50 -5 -9 7 10.00 6.50 4 9 -7 -3.00 8.50 -4 -9 7 -1.30 3.40 3 9 -7 -2.50 10.10 -3 -9 7 1.00 3.10 2 9 -7 24.80 14.60 -2 -9 7 26.10 6.10 1 9 -7 62.79 19.20 -1 -9 7 82.99 10.60 0 9 -7 182.68 25.70 0 -9 7 147.09 14.60 -1 9 -7 8.40 9.90 1 -9 7 -0.40 3.00 -2 9 -7 -2.90 6.60 2 -9 7 -0.20 3.30 -3 9 -7 164.28 24.30 3 -9 7 200.48 19.00 -4 9 -7 89.89 22.10 4 -9 7 71.79 12.70 5 -9 7 28.10 9.90 6 -9 7 13.10 7.60 7 -9 7 -3.50 7.20 8 8 -7 0.40 15.10 -8 -8 7 -1.10 8.50 7 8 -7 -7.80 11.70 -7 -8 7 -1.50 8.10 6 8 -7 27.20 18.10 -6 -8 7 29.30 9.40 5 8 -7 23.90 15.50 -5 -8 7 6.90 5.30 4 8 -7 4.80 9.80 -4 -8 7 -0.10 3.90 3 8 -7 10.40 9.90 -3 -8 7 7.80 4.30 2 8 -7 92.79 21.20 -2 -8 7 124.19 11.80 1 8 -7 5.30 8.40 -1 -8 7 0.30 2.50 0 8 -7 275.67 31.40 0 -8 7 241.48 20.20 -1 8 -7 31.30 13.00 1 -8 7 32.40 6.60 -2 8 -7 23.40 11.60 2 -8 7 14.40 5.50 -3 8 -7 158.78 26.60 3 -8 7 102.39 14.40 -4 8 -7 9.50 10.80 4 -8 7 22.30 7.10 5 -8 7 26.30 8.50 6 -8 7 5.20 7.30 7 -8 7 3.00 8.50 8 7 -7 7.50 15.50 -8 -7 7 12.20 9.60 7 7 -7 59.29 20.80 -7 -7 7 56.59 13.70 6 7 -7 -0.10 10.40 -6 -7 7 -7.60 5.50 5 7 -7 3.90 10.50 -5 -7 7 7.10 4.90 4 7 -7 13.30 11.00 -4 -7 7 22.90 6.40 3 7 -7 13.20 8.30 -3 -7 7 8.60 4.20 2 7 -7 80.19 19.50 -2 -7 7 113.79 11.00 1 7 -7 4.50 7.90 -1 -7 7 -3.30 2.30 0 7 -7 282.07 29.80 0 -7 7 238.98 20.00 -1 7 -7 7.80 7.70 1 -7 7 13.90 4.50 -2 7 -7 77.79 17.20 2 -7 7 41.00 8.30 -3 7 -7 45.70 13.90 3 -7 7 37.00 8.40 -4 7 -7 82.09 17.60 4 -7 7 56.19 10.90 5 -7 7 6.80 5.70 6 -7 7 9.00 6.80 7 -7 7 13.50 8.30 8 -7 7 2.40 8.20 -9 -6 7 9.70 10.50 8 6 -7 10.50 16.40 -8 -6 7 1.30 8.10 7 6 -7 89.99 23.00 -7 -6 7 117.49 19.50 6 6 -7 51.99 18.80 -6 -6 7 76.79 14.20 5 6 -7 83.89 22.80 4 6 -7 48.80 16.80 -4 -6 7 68.09 10.70 3 6 -7 56.29 15.10 -3 -6 7 66.29 9.50 2 6 -7 32.30 11.40 -2 -6 7 54.19 7.50 1 6 -7 76.99 17.60 -1 -6 7 65.69 8.50 -1 -6 7 58.79 6.40 0 6 -7 3.10 6.70 0 -6 7 0.10 0.90 0 -6 7 0.50 2.60 -1 6 -7 1.90 6.40 1 -6 7 4.00 3.20 -2 6 -7 153.98 19.90 2 -6 7 161.28 15.00 -3 6 -7 60.09 14.30 3 -6 7 42.70 8.70 -4 6 -7 128.89 20.60 4 -6 7 77.49 13.40 5 -6 7 84.09 13.80 6 -6 7 123.79 18.40 7 -6 7 -0.20 6.20 8 -6 7 1.90 7.20 -9 -5 7 -3.80 10.70 8 5 -7 9.90 13.60 -8 -5 7 30.90 13.20 7 5 -7 3.60 15.00 -7 -5 7 2.30 7.40 6 5 -7 13.80 12.70 -5 -5 7 140.09 16.40 4 5 -7 181.28 26.10 -4 -5 7 191.68 18.00 3 5 -7 128.79 19.90 -3 -5 7 80.49 11.20 2 5 -7 11.40 8.00 -2 -5 7 10.60 3.60 -2 -5 7 11.80 3.70 1 5 -7 286.77 33.00 -1 -5 7 374.66 25.20 -1 -5 7 427.66 27.20 0 5 -7 64.79 15.90 0 -5 7 39.20 3.90 0 -5 7 38.70 6.40 -1 5 -7 238.48 25.70 1 -5 7 255.27 16.70 1 -5 7 259.57 20.10 -2 5 -7 152.88 19.10 2 -5 7 174.28 12.50 2 -5 7 144.39 14.50 -3 5 -7 233.08 23.90 3 -5 7 208.58 19.40 -4 5 -7 57.89 13.90 4 -5 7 46.70 9.90 5 -5 7 2.20 4.30 6 -5 7 143.99 19.50 7 -5 7 112.89 18.60 8 -5 7 -0.30 6.40 -9 -4 7 17.30 13.40 8 4 -7 21.50 16.10 -8 -4 7 6.00 7.90 7 4 -7 88.39 23.10 -7 -4 7 148.19 21.50 6 4 -7 33.80 15.00 -6 -4 7 41.80 10.90 5 4 -7 67.69 19.60 -5 -4 7 52.69 11.60 4 4 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11.30 6 -6 10 30.60 12.00 8 5 -10 20.40 21.00 -8 -5 10 2.30 8.50 7 5 -10 0.20 17.10 -7 -5 10 16.00 10.20 6 5 -10 56.09 21.80 -6 -5 10 91.29 16.80 -6 -5 10 83.99 15.10 5 5 -10 6.00 12.50 -5 -5 10 5.10 5.20 -5 -5 10 6.00 7.40 4 5 -10 24.10 15.80 -4 -5 10 53.19 10.40 -4 -5 10 37.80 8.60 3 5 -10 24.60 13.50 -3 -5 10 9.20 4.80 -3 -5 10 7.90 4.60 2 5 -10 131.09 27.70 -2 -5 10 172.48 14.70 -2 -5 10 168.78 15.80 -1 -5 10 42.60 7.80 0 5 -10 86.89 20.70 0 -5 10 88.69 12.00 -1 5 -10 3.80 9.70 1 -5 10 9.30 4.80 -2 5 -10 165.58 22.40 3 -5 10 12.50 5.90 4 -5 10 48.60 11.50 5 -5 10 1.90 6.80 6 -5 10 -1.20 5.70 7 -5 10 17.20 10.10 8 4 -10 -0.80 15.00 -8 -4 10 -5.30 7.80 7 4 -10 8.10 13.40 -7 -4 10 19.10 9.60 -7 -4 10 18.80 9.50 -6 -4 10 149.99 21.30 -6 -4 10 139.79 20.30 5 4 -10 86.99 24.10 -5 -4 10 58.09 11.40 -5 -4 10 36.30 9.40 4 4 -10 -0.50 10.30 -4 -4 10 4.20 4.40 -4 -4 10 3.90 4.20 3 4 -10 64.99 18.50 -3 -4 10 63.29 10.20 -3 -4 10 63.69 10.10 2 4 -10 44.00 16.20 -2 -4 10 57.89 9.20 -2 -4 10 77.39 9.60 1 4 -10 36.90 14.10 -1 -4 10 32.30 6.90 -1 -4 10 40.10 5.90 0 4 -10 47.90 15.20 0 -4 10 35.40 5.00 0 -4 10 37.20 7.60 -1 4 -10 14.30 10.30 1 -4 10 7.00 4.30 -2 4 -10 24.80 11.50 2 -4 10 21.30 6.50 3 -4 10 11.00 6.10 4 -4 10 21.80 8.00 5 -4 10 9.10 6.60 6 -4 10 119.69 19.50 7 -4 10 7.90 8.90 9 3 -10 1.60 17.70 -9 -3 10 10.60 11.70 -9 -3 10 -6.40 9.60 8 3 -10 0.10 15.00 -8 -3 10 4.20 8.80 -8 -3 10 8.90 9.40 7 3 -10 22.00 16.60 -7 -3 10 14.60 9.40 -7 -3 10 32.80 11.30 6 3 -10 7.90 14.00 -6 -3 10 37.50 10.80 -6 -3 10 27.00 11.20 5 3 -10 10.60 12.70 -5 -3 10 9.20 6.40 -5 -3 10 13.60 6.60 4 3 -10 31.20 15.30 -4 -3 10 39.90 8.40 -4 -3 10 49.10 9.80 3 3 -10 76.19 21.70 -3 -3 10 124.19 12.90 -3 -3 10 125.59 12.80 2 3 -10 209.38 30.10 -2 -3 10 294.07 22.40 -2 -3 10 298.37 21.60 1 3 -10 20.70 10.70 -1 -3 10 22.70 5.80 -1 -3 10 29.40 5.10 0 3 -10 49.50 15.20 0 -3 10 37.90 5.60 0 -3 10 44.20 7.90 -1 3 -10 181.48 24.20 1 -3 10 190.58 15.10 1 -3 10 209.78 18.00 2 -3 10 38.00 6.20 2 -3 10 43.60 8.70 3 -3 10 49.60 10.20 4 -3 10 22.70 7.70 5 -3 10 5.30 6.90 6 -3 10 4.10 7.00 7 -3 10 31.30 11.90 9 2 -10 -1.00 21.40 -9 -2 10 7.60 12.20 -9 -2 10 2.40 13.00 8 2 -10 32.30 20.30 -8 -2 10 8.50 9.90 -8 -2 10 2.60 8.50 -7 -2 10 82.09 16.20 -7 -2 10 54.99 14.40 6 2 -10 0.50 10.90 -6 -2 10 1.10 6.30 -6 -2 10 -2.00 5.40 5 2 -10 78.09 21.40 4 2 -10 75.89 23.10 -4 -2 10 131.39 14.60 -4 -2 10 145.49 14.50 3 2 -10 22.20 12.40 -3 -2 10 17.70 5.80 -3 -2 10 16.10 5.50 2 2 -10 150.18 24.30 -2 -2 10 183.78 16.30 -2 -2 10 202.88 16.20 1 2 -10 134.19 22.20 -1 -2 10 157.98 13.50 -1 -2 10 165.18 14.60 0 -2 10 473.75 32.90 0 -2 10 416.26 30.60 -1 2 -10 16.10 11.10 1 -2 10 21.50 6.10 1 -2 10 17.90 4.00 -2 2 -10 44.70 13.20 2 -2 10 43.30 8.90 2 -2 10 51.19 7.40 3 -2 10 23.50 7.10 3 -2 10 18.60 5.30 4 -2 10 0.30 4.10 4 -2 10 0.10 4.10 5 -2 10 9.40 6.70 6 -2 10 3.50 7.00 7 -2 10 2.90 8.50 9 1 -10 9.00 18.40 -9 -1 10 14.60 10.90 -9 -1 10 9.60 13.90 8 1 -10 9.50 19.20 -8 -1 10 -8.00 6.90 -8 -1 10 3.00 8.10 7 1 -10 -4.30 16.80 -7 -1 10 -8.80 5.40 -7 -1 10 1.00 6.90 6 1 -10 2.20 11.70 -6 -1 10 0.10 5.90 -6 -1 10 -5.60 5.00 5 1 -10 84.79 22.20 -5 -1 10 106.49 15.20 -5 -1 10 135.49 17.70 4 1 -10 -3.10 7.20 -4 -1 10 -0.50 3.40 -4 -1 10 -0.80 3.70 -3 -1 10 192.78 18.00 -3 -1 10 212.78 18.00 2 1 -10 0.40 7.50 -2 -1 10 8.90 4.10 1 1 -10 26.30 13.20 -1 -1 10 18.90 5.00 -1 -1 10 23.00 6.10 0 1 -10 843.42 62.59 0 -1 10 729.43 52.19 0 -1 10 742.83 50.99 -1 1 -10 118.19 20.40 1 -1 10 184.98 14.50 1 -1 10 180.48 15.80 -2 1 -10 64.39 14.60 2 -1 10 61.79 10.50 2 -1 10 54.79 7.90 3 -1 10 11.10 5.50 3 -1 10 7.30 4.30 4 -1 10 32.00 7.60 4 -1 10 37.70 9.60 5 -1 10 5.10 5.50 5 -1 10 2.20 4.40 6 -1 10 75.89 14.60 7 -1 10 2.40 8.30 9 0 -10 5.40 16.50 -9 0 10 36.40 14.20 -9 0 10 24.10 12.00 8 0 -10 27.20 20.10 -8 0 10 -2.20 10.00 -8 0 10 -2.80 7.30 -7 0 10 102.89 18.00 -7 0 10 75.69 15.50 6 0 -10 6.40 13.30 -6 0 10 8.30 7.00 -6 0 10 3.70 7.00 -5 0 10 158.28 20.00 -5 0 10 137.59 17.80 4 0 -10 123.99 27.20 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7.80 6 4 -11 19.90 16.00 -6 -4 11 77.19 15.00 -6 -4 11 55.39 13.20 5 4 -11 94.29 26.20 4 4 -11 4.50 11.10 -4 -4 11 14.50 6.20 -4 -4 11 9.10 5.30 3 4 -11 -1.20 9.30 -3 -4 11 3.70 4.60 -3 -4 11 0.50 3.90 2 4 -11 174.78 28.60 -2 -4 11 232.88 19.90 -2 -4 11 236.98 18.60 1 4 -11 -1.40 7.40 -1 -4 11 3.70 3.80 -1 -4 11 7.00 3.20 0 4 -11 5.50 8.70 0 -4 11 -0.60 3.40 -1 4 -11 15.70 10.40 1 -4 11 12.30 5.60 -2 4 -11 53.09 16.60 2 -4 11 43.80 9.20 3 -4 11 15.70 7.00 4 -4 11 64.69 12.80 5 -4 11 23.60 9.50 6 -4 11 21.20 10.40 8 3 -11 0.50 16.60 -8 -3 11 -3.60 8.00 -8 -3 11 -3.10 9.10 7 3 -11 5.70 14.60 -7 -3 11 18.80 9.60 -7 -3 11 27.60 11.30 -6 -3 11 71.09 14.50 -6 -3 11 71.99 15.60 5 3 -11 35.20 17.60 -5 -3 11 15.90 7.30 -5 -3 11 15.20 7.00 4 3 -11 3.20 11.00 -4 -3 11 6.80 5.40 -4 -3 11 3.30 4.60 3 3 -11 255.77 33.10 -3 -3 11 207.68 19.50 -3 -3 11 205.28 19.10 2 3 -11 -1.10 8.40 -2 -3 11 3.00 3.40 -2 -3 11 2.60 4.20 1 3 -11 13.80 10.30 -1 -3 11 11.50 3.70 -1 -3 11 19.80 6.00 0 3 -11 8.10 8.50 0 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7.60 2 -2 14 124.69 18.10 3 -2 14 26.30 9.80 7 1 -14 -0.50 17.60 -7 -1 14 4.30 9.50 -7 -1 14 9.70 11.50 6 1 -14 10.70 17.30 -6 -1 14 11.50 9.10 -6 -1 14 24.90 11.10 5 1 -14 0.30 14.60 -5 -1 14 38.00 10.70 -5 -1 14 59.89 12.50 4 1 -14 -1.80 12.20 -4 -1 14 0.70 6.70 -4 -1 14 -2.50 5.40 3 1 -14 54.29 20.50 -3 -1 14 -2.70 6.00 -3 -1 14 1.40 5.20 -2 -1 14 225.08 22.20 -2 -1 14 220.98 20.30 1 1 -14 4.60 11.50 -1 -1 14 -0.20 6.20 -1 -1 14 -1.70 3.90 0 1 -14 -4.10 13.30 0 -1 14 1.10 5.70 0 -1 14 2.30 3.90 1 -1 14 2.90 6.60 2 -1 14 63.69 13.50 3 -1 14 27.20 10.90 7 0 -14 1.20 23.40 -7 0 14 15.90 11.20 -7 0 14 10.70 11.20 6 0 -14 -7.80 15.60 -6 0 14 26.80 11.10 -6 0 14 26.20 9.90 5 0 -14 10.40 16.00 -5 0 14 11.30 7.50 -5 0 14 11.90 7.60 4 0 -14 3.40 13.30 -4 0 14 3.90 5.90 -4 0 14 -0.90 6.30 3 0 -14 20.90 15.20 -3 0 14 43.60 9.50 -3 0 14 44.70 9.60 2 0 -14 1.80 12.20 -2 0 14 5.40 5.50 -2 0 14 6.40 5.30 1 0 -14 -0.40 11.90 -1 0 14 23.00 7.90 -1 0 14 15.20 6.20 0 0 14 83.39 12.00 0 0 14 76.79 13.30 1 0 14 5.60 6.40 1 0 14 10.70 5.70 2 0 14 0.20 6.50 2 0 14 -0.10 5.30 3 0 14 4.40 7.70 7 -1 -14 -5.70 21.90 -7 1 14 -7.50 10.20 -7 1 14 0.50 9.00 6 -1 -14 13.90 20.90 -6 1 14 65.29 13.30 -6 1 14 77.69 15.80 5 -1 -14 15.50 18.60 -5 1 14 73.69 12.90 -5 1 14 44.40 11.30 4 -1 -14 1.30 13.50 -4 1 14 38.60 9.00 -4 1 14 35.80 9.30 3 -1 -14 -1.00 11.30 -3 1 14 4.10 5.50 -3 1 14 3.40 4.90 2 -1 -14 -3.20 13.00 -2 1 14 4.20 6.50 -2 1 14 11.10 5.60 1 -1 -14 6.00 16.40 -1 1 14 3.90 4.20 -1 1 14 -2.50 5.80 0 1 14 62.29 10.60 0 1 14 35.70 9.30 1 1 14 33.30 8.50 1 1 14 25.00 9.00 2 1 14 51.29 12.10 2 1 14 64.89 11.60 3 1 14 3.30 8.40 3 1 14 4.40 6.40 7 -2 -14 4.80 19.30 -7 2 14 0.40 11.50 -7 2 14 9.70 9.40 6 -2 -14 12.50 19.40 -6 2 14 9.50 8.50 -6 2 14 8.30 8.30 5 -2 -14 -9.00 14.10 -5 2 14 2.30 6.40 -5 2 14 -1.90 6.30 4 -2 -14 -0.80 15.40 -4 2 14 13.00 7.20 -4 2 14 21.00 7.60 3 -2 -14 32.10 17.90 -3 2 14 1.90 6.30 -3 2 14 -0.90 5.10 2 -2 -14 3.20 13.80 -2 2 14 24.40 8.20 -2 2 14 7.40 5.70 1 -2 -14 10.10 16.50 -1 2 14 5.90 5.00 -1 2 14 3.40 6.40 0 2 14 20.80 7.20 0 2 14 27.90 9.50 1 2 14 -0.90 5.20 2 2 14 35.20 9.60 3 2 14 16.00 8.10 7 -3 -14 2.60 19.10 -7 3 14 1.60 8.70 6 -3 -14 -6.70 21.10 -6 3 14 2.90 7.80 5 -3 -14 31.90 23.30 -5 3 14 17.40 8.50 4 -3 -14 -3.20 15.10 -4 3 14 6.10 6.10 3 -3 -14 22.90 17.00 2 -3 -14 46.30 22.00 -2 3 14 50.79 10.10 1 -3 -14 75.79 25.20 -1 3 14 113.29 15.10 0 3 14 11.60 6.40 1 3 14 35.40 9.60 2 3 14 2.40 5.80 6 -4 -14 -5.30 17.50 -6 4 14 2.80 7.10 5 -4 -14 39.20 24.00 -5 4 14 69.69 13.70 4 -4 -14 -6.60 15.00 -4 4 14 4.40 6.00 3 -4 -14 10.00 15.90 -3 4 14 44.80 10.00 2 -4 -14 3.90 18.10 -2 4 14 1.00 5.10 1 -4 -14 17.00 19.50 -1 4 14 2.60 6.70 0 4 14 195.48 20.70 1 4 14 7.30 6.60 2 4 14 5.50 6.70 6 -5 -14 3.70 20.60 -6 5 14 18.40 9.50 5 -5 -14 25.00 22.90 -5 5 14 23.00 9.50 4 -5 -14 16.40 19.30 -4 5 14 16.20 7.60 3 -5 -14 29.20 21.30 -3 5 14 2.80 5.80 2 -5 -14 -8.50 18.20 -2 5 14 3.50 5.60 -1 5 14 115.49 16.20 0 5 14 13.30 7.40 1 5 14 1.90 6.60 5 -6 -14 14.90 20.70 -5 6 14 57.19 12.70 4 -6 -14 -16.80 15.50 -4 6 14 5.10 6.60 3 -6 -14 105.39 30.90 -3 6 14 68.49 13.30 2 -6 -14 49.70 26.00 -2 6 14 65.49 12.40 -1 6 14 39.30 10.40 0 6 14 6.80 6.80 4 -7 -14 25.80 22.50 3 -7 -14 2.50 19.90 -3 7 14 10.00 7.20 2 -7 -14 5.10 20.70 -2 7 14 18.00 7.90 -2 7 14 4.10 17.40 3 7 -15 9.20 22.20 2 7 -15 14.80 21.60 -2 -7 15 27.20 10.40 1 7 -15 3.40 16.90 -1 -7 15 -3.80 8.50 0 7 -15 1.40 22.10 0 -7 15 4.70 7.50 4 6 -15 5.20 22.20 3 6 -15 12.20 17.00 -3 -6 15 14.00 8.70 2 6 -15 -6.20 15.70 -2 -6 15 10.90 8.00 1 6 -15 4.20 17.60 -1 -6 15 5.20 8.70 0 6 -15 25.90 19.80 0 -6 15 42.40 12.40 1 -6 15 1.40 8.40 5 5 -15 1.00 17.50 4 5 -15 -1.10 21.60 -4 -5 15 32.20 10.90 3 5 -15 8.50 19.20 -3 -5 15 19.50 8.80 2 5 -15 0.70 13.10 -2 -5 15 2.80 7.20 1 5 -15 1.00 14.10 -1 -5 15 -0.90 6.40 0 5 -15 20.60 16.50 0 -5 15 54.49 12.70 1 -5 15 5.30 7.60 5 4 -15 -3.30 15.60 -5 -4 15 2.40 10.20 -4 -4 15 138.39 19.90 3 4 -15 25.80 18.10 -3 -4 15 6.00 8.40 2 4 -15 1.40 14.00 -2 -4 15 29.50 9.60 1 4 -15 4.20 14.20 -1 -4 15 -1.30 6.60 0 4 -15 10.70 19.30 0 -4 15 3.40 7.30 1 -4 15 6.70 7.30 2 -4 15 2.80 9.20 -5 -3 15 97.39 17.20 -5 -3 15 77.09 16.00 4 3 -15 -11.10 17.30 -4 -3 15 8.30 9.30 3 3 -15 103.89 27.90 -3 -3 15 39.80 11.40 2 3 -15 7.40 13.40 -2 -3 15 63.89 12.10 1 3 -15 -3.70 13.50 -1 -3 15 -6.40 5.50 0 -3 15 37.80 10.50 1 -3 15 1.50 7.90 2 -3 15 8.80 8.20 -6 -2 15 92.49 17.60 -6 -2 15 84.79 16.90 5 2 -15 -6.90 17.20 -5 -2 15 31.60 10.90 -5 -2 15 67.29 13.50 4 2 -15 -2.10 14.60 -4 -2 15 25.90 9.50 -4 -2 15 14.80 8.10 3 2 -15 7.30 13.90 -3 -2 15 13.80 8.00 -3 -2 15 6.90 7.40 2 2 -15 1.50 17.70 -2 -2 15 4.90 6.50 1 2 -15 -3.00 16.50 -1 -2 15 9.10 8.70 0 -2 15 19.20 8.50 1 -2 15 -0.80 5.80 2 -2 15 11.20 8.70 6 1 -15 2.10 19.00 -6 -1 15 56.49 14.60 -6 -1 15 91.19 17.10 5 1 -15 4.50 17.50 -5 -1 15 -7.70 8.30 -5 -1 15 -0.40 6.70 4 1 -15 1.50 13.70 -4 -1 15 -4.40 6.00 -4 -1 15 -5.60 7.20 3 1 -15 69.99 26.00 -3 -1 15 41.80 9.90 -3 -1 15 43.20 11.20 -2 -1 15 74.49 11.90 -2 -1 15 87.49 14.50 1 1 -15 12.80 15.80 -1 -1 15 16.10 7.40 -1 -1 15 27.60 7.90 0 -1 15 5.60 6.90 1 -1 15 3.10 7.10 2 -1 15 19.80 9.60 6 0 -15 -10.20 22.50 -6 0 15 -2.70 7.50 -6 0 15 -0.20 7.90 5 0 -15 -4.50 16.70 -5 0 15 9.30 7.80 -5 0 15 11.70 9.60 4 0 -15 -3.40 14.20 -4 0 15 37.60 9.90 -4 0 15 32.00 9.90 3 0 -15 36.20 19.00 -3 0 15 0.80 7.20 -3 0 15 -2.60 5.60 -2 0 15 86.49 13.30 -2 0 15 72.59 13.00 1 0 -15 8.20 15.60 -1 0 15 24.60 7.40 -1 0 15 22.50 9.30 0 0 15 -1.10 5.90 0 0 15 -2.60 6.80 1 0 15 11.40 9.90 2 0 15 22.80 11.60 6 -1 -15 11.10 25.00 -6 1 15 14.30 9.80 -6 1 15 18.00 12.00 5 -1 -15 83.99 30.10 4 -1 -15 -4.30 15.70 -4 1 15 24.50 8.70 -4 1 15 1.80 7.50 3 -1 -15 11.00 16.90 -3 1 15 27.80 8.70 -3 1 15 30.40 9.90 2 -1 -15 3.80 16.30 -2 1 15 3.10 6.70 -2 1 15 4.70 8.10 1 -1 -15 11.60 20.20 -1 1 15 6.40 6.70 -1 1 15 2.00 5.20 0 1 15 3.50 8.10 0 1 15 2.30 5.70 1 1 15 31.40 10.20 1 1 15 26.30 11.50 6 -2 -15 11.50 23.60 -6 2 15 45.60 13.50 5 -2 -15 25.20 22.40 -5 2 15 6.30 7.80 4 -2 -15 1.60 19.50 -4 2 15 -0.80 5.70 3 -2 -15 60.79 28.10 -3 2 15 75.79 13.30 2 -2 -15 24.60 20.30 -2 2 15 49.50 10.70 1 -2 -15 13.10 20.80 -1 2 15 14.50 7.00 0 2 15 18.60 7.60 1 2 15 0.90 6.00 5 -3 -15 29.50 26.40 -5 3 15 13.30 9.10 4 -3 -15 29.90 22.60 -4 3 15 75.29 13.90 3 -3 -15 9.90 21.10 -3 3 15 3.90 5.90 2 -3 -15 35.10 25.30 -2 3 15 22.80 8.10 -1 3 15 70.19 12.80 0 3 15 1.60 6.10 5 -4 -15 23.70 23.10 -5 4 15 33.60 11.10 4 -4 -15 4.80 19.00 -4 4 15 2.50 6.80 3 -4 -15 23.80 21.70 -3 4 15 21.50 8.60 2 -4 -15 34.20 25.20 -2 4 15 42.40 10.50 -1 4 15 8.30 7.10 0 4 15 53.19 12.30 4 -5 -15 40.20 26.50 -4 5 15 84.39 15.00 3 -5 -15 -6.00 17.60 -3 5 15 9.30 7.20 2 -5 -15 20.40 25.90 -2 5 15 48.10 11.20 2 5 -16 7.10 17.10 1 5 -16 8.10 22.80 3 4 -16 -8.10 15.00 2 4 -16 10.80 16.80 -2 -4 16 15.40 8.90 1 4 -16 4.20 20.50 -1 -4 16 7.00 8.40 4 3 -16 0.30 15.60 3 3 -16 46.80 24.80 -3 -3 16 23.70 10.00 2 3 -16 -8.70 14.50 -2 -3 16 0.60 7.00 1 3 -16 5.30 17.70 -1 -3 16 -2.10 6.70 0 -3 16 59.29 14.10 4 2 -16 -6.60 19.80 -4 -2 16 4.10 10.10 3 2 -16 21.60 22.60 -3 -2 16 70.89 13.90 2 2 -16 -1.30 16.00 -2 -2 16 3.80 7.30 1 2 -16 -3.20 20.90 -1 -2 16 15.90 8.80 0 -2 16 8.40 10.10 4 1 -16 -4.30 17.70 -4 -1 16 16.30 10.40 -4 -1 16 2.30 7.10 3 1 -16 3.50 16.90 -3 -1 16 34.40 10.60 -3 -1 16 33.60 10.50 2 1 -16 1.90 16.50 -2 -1 16 3.10 9.20 1 1 -16 -5.30 22.00 -1 -1 16 6.80 7.50 0 -1 16 5.50 9.70 4 0 -16 -3.30 18.90 -4 0 16 6.20 8.80 -4 0 16 6.50 8.00 3 0 -16 16.10 19.60 -3 0 16 32.40 9.90 -3 0 16 33.00 10.80 2 0 -16 -5.10 20.90 -2 0 16 2.10 9.70 -2 0 16 5.50 6.60 -1 0 16 12.40 9.20 -1 0 16 15.20 9.20 0 0 16 -0.90 9.80 4 -1 -16 5.90 19.70 -4 1 16 6.00 7.30 3 -1 -16 19.90 21.70 -3 1 16 -6.50 5.50 2 -1 -16 9.80 20.40 -2 1 16 5.10 7.80 -1 1 16 -1.30 6.00 3 -2 -16 4.70 19.40 -3 2 16 41.00 11.00 2 -2 -16 8.50 20.10 -2 2 16 1.30 6.30 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 971 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 P1 P 0.21050(15) 0.29520(10) 0.73397(9) 0.0239(3) Uani 1 1 d . . . . . P2 P 0.14692(18) 0.30598(12) 0.51271(10) 0.0335(4) Uani 1 1 d . . . . . P3 P 0.44260(18) 0.42045(12) 0.63462(10) 0.0340(4) Uani 1 1 d D . . . . Cl1 Cl 0.1372(2) 0.16366(14) 0.41389(12) 0.0592(5) Uani 1 1 d . . . . . Cl2 Cl -0.0339(2) 0.37075(15) 0.42223(11) 0.0549(5) Uani 1 1 d . . . . . N1 N 0.0876(5) 0.2747(4) 0.6173(3) 0.0322(10) Uani 1 1 d . . . . . N2 N 0.3168(6) 0.3825(4) 0.5201(3) 0.0384(11) Uani 1 1 d . . . . . N3 N 0.3869(5) 0.3636(3) 0.7331(3) 0.0276(9) Uani 1 1 d . . . . . N4 N 0.1184(5) 0.3459(3) 0.8241(3) 0.0304(10) Uani 1 1 d . . . . . N5 N 0.2274(5) 0.1769(3) 0.7883(3) 0.0292(9) Uani 1 1 d . . . . . N6 N 0.3790(5) 0.6237(4) 1.0578(3) 0.0341(10) Uani 1 1 d D . . . . N7 N 0.6311(7) 0.4065(6) 0.6375(6) 0.0409(15) Uani 0.720(7) 1 d D U P A 1 H7 H 0.701784 0.464448 0.628178 0.049 Uiso 0.720(7) 1 calc R U P A 1 N8 N 0.4364(9) 0.5570(5) 0.6513(5) 0.0389(16) Uani 0.727(7) 1 d D U P A 1 H8 H 0.369040 0.585266 0.602452 0.047 Uiso 0.727(7) 1 calc R U P A 1 C1 C 0.0844(7) 0.2696(4) 0.9024(4) 0.0393(13) Uani 1 1 d . . . . . H1A H -0.029248 0.268976 0.914616 0.047 Uiso 1 1 calc R U . . . H1B H 0.164119 0.292211 0.971959 0.047 Uiso 1 1 calc R U . . . C2 C 0.1031(7) 0.1558(4) 0.8537(4) 0.0393(13) Uani 1 1 d . . . . . H2A H 0.140056 0.108832 0.910790 0.047 Uiso 1 1 calc R U . . . H2B H -0.003488 0.116647 0.808480 0.047 Uiso 1 1 calc R U . . . C3 C 0.2542(7) 0.0804(4) 0.7216(5) 0.0460(15) Uani 1 1 d . . . . . H3A H 0.339802 0.104519 0.681698 0.069 Uiso 1 1 calc R U . . . H3B H 0.150708 0.048047 0.670718 0.069 Uiso 1 1 calc R U . . . H3C H 0.289971 0.023662 0.767494 0.069 Uiso 1 1 calc R U . . . C4 C 0.0741(7) 0.4571(4) 0.8289(4) 0.0357(13) Uani 1 1 d . . . . . H4A H -0.040797 0.450863 0.840069 0.043 Uiso 1 1 calc R U . . . H4B H 0.075366 0.485392 0.758284 0.043 Uiso 1 1 calc R U . . . C5 C 0.3049(6) 0.5247(5) 0.9977(4) 0.0347(12) Uani 1 1 d . . . . . H5 H 0.333567 0.453249 1.011275 0.042 Uiso 1 1 calc R U . . . C6 C 0.1836(6) 0.5422(4) 0.9150(3) 0.0269(11) Uani 1 1 d . . . . . C7 C 0.1813(6) 0.6606(4) 0.9247(3) 0.0272(11) Uani 1 1 d . . . . . C8 C 0.0869(7) 0.7302(4) 0.8671(4) 0.0350(12) Uani 1 1 d . . . . . H8A H 0.002649 0.699295 0.805993 0.042 Uiso 1 1 calc R U . . . C9 C 0.1164(8) 0.8438(5) 0.8994(4) 0.0455(15) Uani 1 1 d . . . . . H9 H 0.051021 0.891290 0.860839 0.055 Uiso 1 1 calc R U . . . C10 C 0.2413(8) 0.8901(5) 0.9880(5) 0.0510(16) Uani 1 1 d . . . . . H10 H 0.259582 0.969004 1.008682 0.061 Uiso 1 1 calc R U . . . C11 C 0.3381(8) 0.8249(5) 1.0459(4) 0.0429(14) Uani 1 1 d . . . . . H11 H 0.424254 0.857511 1.105368 0.052 Uiso 1 1 calc R U . . . C12 C 0.3066(6) 0.7091(4) 1.0150(4) 0.0307(11) Uani 1 1 d . . . . . C13 C 0.6880(9) 0.3011(6) 0.6550(6) 0.0399(17) Uani 0.720(7) 1 d D U P A 1 H13A H 0.649273 0.273037 0.718053 0.048 Uiso 0.720(7) 1 calc R U P A 1 H13B H 0.810592 0.315257 0.673147 0.048 Uiso 0.720(7) 1 calc R U P A 1 C14 C 0.6318(11) 0.2104(6) 0.5614(6) 0.0399(19) Uani 0.720(7) 1 d D U P A 1 H14A H 0.671169 0.237297 0.498099 0.048 Uiso 0.720(7) 1 calc R U P A 1 H14B H 0.509253 0.195190 0.542937 0.048 Uiso 0.720(7) 1 calc R U P A 1 C15 C 0.6955(13) 0.1019(7) 0.5852(9) 0.069(3) Uani 0.720(7) 1 d D U P A 1 H15A H 0.656033 0.045614 0.522057 0.103 Uiso 0.720(7) 1 calc R U P A 1 H15B H 0.654788 0.073967 0.646805 0.103 Uiso 0.720(7) 1 calc R U P A 1 H15C H 0.816898 0.116193 0.602208 0.103 Uiso 0.720(7) 1 calc R U P A 1 C16 C 0.5374(12) 0.6327(6) 0.7431(6) 0.0432(19) Uani 0.727(7) 1 d D U P A 1 H16A H 0.655684 0.636810 0.739873 0.052 Uiso 0.727(7) 1 calc R U P A 1 H16B H 0.521568 0.601532 0.810453 0.052 Uiso 0.727(7) 1 calc R U P A 1 C17 C 0.4948(12) 0.7493(6) 0.7457(7) 0.045(2) Uani 0.727(7) 1 d D U P A 1 H17A H 0.378034 0.746299 0.752346 0.055 Uiso 0.727(7) 1 calc R U P A 1 H17B H 0.507052 0.780162 0.677603 0.055 Uiso 0.727(7) 1 calc R U P A 1 C18 C 0.6078(14) 0.8254(8) 0.8402(8) 0.062(3) Uani 0.727(7) 1 d D U P A 1 H18A H 0.721946 0.834753 0.829483 0.093 Uiso 0.727(7) 1 calc R U P A 1 H18B H 0.602349 0.791493 0.906911 0.093 Uiso 0.727(7) 1 calc R U P A 1 H18C H 0.572179 0.899009 0.845192 0.093 Uiso 0.727(7) 1 calc R U P A 1 N8A N 0.545(2) 0.5483(9) 0.6639(12) 0.034(3) Uani 0.273(7) 1 d D U P A 2 H8AA H 0.642828 0.568860 0.648325 0.040 Uiso 0.273(7) 1 calc R U P A 2 C16A C 0.461(2) 0.6253(15) 0.718(2) 0.043(3) Uani 0.273(7) 1 d D U P A 2 H16C H 0.423512 0.592324 0.779625 0.051 Uiso 0.273(7) 1 calc R U P A 2 H16D H 0.362623 0.641060 0.667657 0.051 Uiso 0.273(7) 1 calc R U P A 2 C17A C 0.584(3) 0.7321(16) 0.757(2) 0.050(3) Uani 0.273(7) 1 d D U P A 2 H17C H 0.634292 0.754180 0.696047 0.060 Uiso 0.273(7) 1 calc R U P A 2 H17D H 0.673986 0.714454 0.813123 0.060 Uiso 0.273(7) 1 calc R U P A 2 C18A C 0.522(4) 0.833(2) 0.803(3) 0.066(6) Uani 0.273(7) 1 d D U P A 2 H18D H 0.428410 0.849589 0.750157 0.100 Uiso 0.273(7) 1 calc R U P A 2 H18E H 0.610859 0.898068 0.818622 0.100 Uiso 0.273(7) 1 calc R U P A 2 H18F H 0.484929 0.816478 0.869189 0.100 Uiso 0.273(7) 1 calc R U P A 2 N7A N 0.6037(16) 0.3702(13) 0.6098(18) 0.0409(15) Uani 0.280(7) 1 d D U P A 2 H7A H 0.692375 0.421262 0.615087 0.049 Uiso 0.280(7) 1 calc R U P A 2 C13A C 0.627(3) 0.2561(14) 0.5805(14) 0.040(3) Uani 0.280(7) 1 d D U P A 2 H13C H 0.706340 0.259075 0.532163 0.048 Uiso 0.280(7) 1 calc R U P A 2 H13D H 0.519522 0.214150 0.538279 0.048 Uiso 0.280(7) 1 calc R U P A 2 C14A C 0.687(2) 0.1892(13) 0.6706(14) 0.040(3) Uani 0.280(7) 1 d D U P A 2 H14C H 0.615885 0.195061 0.724081 0.048 Uiso 0.280(7) 1 calc R U P A 2 H14D H 0.800387 0.225731 0.706672 0.048 Uiso 0.280(7) 1 calc R U P A 2 C15A C 0.690(3) 0.0660(14) 0.642(2) 0.054(5) Uani 0.280(7) 1 d D U P A 2 H15D H 0.589140 0.032232 0.589831 0.080 Uiso 0.280(7) 1 calc R U P A 2 H15E H 0.697155 0.027763 0.707378 0.080 Uiso 0.280(7) 1 calc R U P A 2 H15F H 0.787037 0.058141 0.610964 0.080 Uiso 0.280(7) 1 calc R U P A 2 H6 H 0.457(6) 0.634(6) 1.113(4) 0.07(2) Uiso 1 1 d 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 P1 0.0263(7) 0.0266(7) 0.0196(6) 0.0042(5) 0.0063(5) 0.0045(5) P2 0.0393(8) 0.0421(9) 0.0186(6) 0.0006(5) 0.0052(5) 0.0080(6) P3 0.0420(8) 0.0354(8) 0.0235(6) 0.0072(5) 0.0090(6) -0.0020(6) Cl1 0.0739(12) 0.0563(10) 0.0428(8) -0.0171(7) 0.0095(7) 0.0128(9) Cl2 0.0600(10) 0.0733(11) 0.0324(7) 0.0129(7) -0.0008(7) 0.0253(8) N1 0.031(2) 0.042(3) 0.023(2) 0.0082(18) 0.0037(17) 0.007(2) N2 0.044(3) 0.054(3) 0.0179(19) 0.0084(19) 0.0084(18) 0.006(2) N3 0.030(2) 0.034(2) 0.0185(18) 0.0044(17) 0.0048(16) 0.0032(18) N4 0.042(3) 0.030(2) 0.024(2) 0.0055(17) 0.0135(18) 0.010(2) N5 0.033(2) 0.019(2) 0.037(2) 0.0047(17) 0.0121(18) 0.0028(17) N6 0.031(2) 0.041(3) 0.028(2) 0.001(2) -0.0002(19) 0.006(2) N7 0.028(3) 0.038(4) 0.048(4) 0.012(3) 0.001(2) -0.015(3) N8 0.051(4) 0.035(3) 0.032(3) 0.009(2) 0.010(3) 0.010(3) C1 0.051(4) 0.044(3) 0.028(3) 0.011(2) 0.020(2) 0.005(3) C2 0.048(4) 0.037(3) 0.036(3) 0.016(2) 0.015(2) 0.003(3) C3 0.048(4) 0.029(3) 0.065(4) 0.007(3) 0.019(3) 0.008(3) C4 0.040(3) 0.040(3) 0.028(3) 0.000(2) 0.002(2) 0.018(3) C5 0.038(3) 0.037(3) 0.031(3) 0.005(2) 0.007(2) 0.014(2) C6 0.029(3) 0.031(3) 0.023(2) 0.0010(19) 0.0082(19) 0.010(2) C7 0.028(3) 0.033(3) 0.024(2) 0.004(2) 0.0117(19) 0.005(2) C8 0.041(3) 0.043(3) 0.024(2) 0.009(2) 0.008(2) 0.010(3) C9 0.062(4) 0.034(3) 0.047(3) 0.019(3) 0.012(3) 0.018(3) C10 0.067(4) 0.032(3) 0.050(4) 0.012(3) 0.008(3) -0.003(3) C11 0.050(4) 0.037(3) 0.036(3) 0.005(2) 0.004(3) -0.004(3) C12 0.033(3) 0.037(3) 0.023(2) 0.007(2) 0.007(2) 0.005(2) C13 0.028(3) 0.043(4) 0.046(4) -0.001(3) 0.008(3) 0.003(3) C14 0.033(3) 0.037(4) 0.050(4) 0.000(3) 0.009(3) 0.007(4) C15 0.045(5) 0.061(6) 0.090(7) -0.006(5) 0.005(6) 0.000(5) C16 0.052(4) 0.037(3) 0.042(4) 0.008(3) 0.012(3) 0.008(4) C17 0.051(5) 0.038(4) 0.048(4) 0.003(3) 0.010(4) 0.009(4) C18 0.062(6) 0.055(5) 0.064(6) -0.001(5) 0.006(5) 0.011(5) N8A 0.037(6) 0.034(5) 0.032(5) 0.005(5) 0.011(5) 0.006(5) C16A 0.048(6) 0.038(5) 0.043(5) 0.006(4) 0.010(5) 0.008(5) C17A 0.056(6) 0.038(6) 0.053(6) 0.001(5) 0.011(6) 0.006(6) C18A 0.070(11) 0.055(10) 0.074(11) 0.002(10) 0.024(10) 0.002(10) N7A 0.028(3) 0.038(4) 0.048(4) 0.012(3) 0.001(2) -0.015(3) C13A 0.029(5) 0.040(5) 0.049(5) 0.004(5) 0.008(4) 0.001(5) C14A 0.026(5) 0.045(6) 0.050(5) 0.000(5) 0.012(5) 0.007(5) C15A 0.042(10) 0.058(11) 0.065(11) 0.021(9) 0.018(10) 0.005(9) 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N3 P1 N1 113.0(2) . . ? N3 P1 N4 114.9(2) . . ? N1 P1 N4 110.1(2) . . ? N3 P1 N5 111.1(2) . . ? N1 P1 N5 112.3(2) . . ? N4 P1 N5 94.0(2) . . ? N2 P2 N1 120.6(2) . . ? N2 P2 Cl2 109.65(18) . . ? N1 P2 Cl2 107.68(18) . . ? N2 P2 Cl1 108.44(19) . . ? N1 P2 Cl1 109.59(18) . . ? Cl2 P2 Cl1 98.68(9) . . ? N3 P3 N7 107.9(3) . . ? N3 P3 N2 114.8(2) . . ? N7 P3 N2 115.6(3) . . ? N3 P3 N7A 108.5(8) . . ? N2 P3 N7A 99.7(8) . . ? N3 P3 N8A 115.5(5) . . ? N2 P3 N8A 120.6(6) . . ? N7A P3 N8A 92.5(8) . . ? N3 P3 N8 109.2(3) . . ? N7 P3 N8 107.5(4) . . ? N2 P3 N8 101.4(3) . . ? P2 N1 P1 122.4(3) . . ? P2 N2 P3 120.5(3) . . ? P1 N3 P3 126.8(2) . . ? C4 N4 C1 121.6(4) . . ? C4 N4 P1 124.2(3) . . ? C1 N4 P1 114.2(3) . . ? C3 N5 C2 116.8(4) . . ? C3 N5 P1 118.3(3) . . ? C2 N5 P1 109.7(3) . . ? C5 N6 C12 108.8(4) . . ? C5 N6 H6 128(5) . . ? C12 N6 H6 124(5) . . ? C13 N7 P3 121.6(5) . . ? C13 N7 H7 119.2 . . ? P3 N7 H7 119.2 . . ? C16 N8 P3 123.0(5) . . ? C16 N8 H8 118.5 . . ? P3 N8 H8 118.5 . . ? N4 C1 C2 105.2(4) . . ? N4 C1 H1A 110.7 . . ? C2 C1 H1A 110.7 . . ? N4 C1 H1B 110.7 . . ? C2 C1 H1B 110.7 . . ? H1A C1 H1B 108.8 . . ? N5 C2 C1 105.8(4) . . ? N5 C2 H2A 110.6 . . ? C1 C2 H2A 110.6 . . ? N5 C2 H2B 110.6 . . ? C1 C2 H2B 110.6 . . ? H2A C2 H2B 108.7 . . ? N5 C3 H3A 109.5 . . ? N5 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? N5 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? N4 C4 C6 115.4(4) . . ? N4 C4 H4A 108.4 . . ? C6 C4 H4A 108.4 . . ? N4 C4 H4B 108.4 . . ? C6 C4 H4B 108.4 . . ? H4A C4 H4B 107.5 . . ? N6 C5 C6 110.5(5) . . ? N6 C5 H5 124.7 . . ? C6 C5 H5 124.7 . . ? C5 C6 C7 106.4(4) . . ? C5 C6 C4 128.2(5) . . ? C7 C6 C4 125.5(4) . . ? C8 C7 C12 119.0(4) . . ? C8 C7 C6 134.3(4) . . ? C12 C7 C6 106.7(4) . . ? C9 C8 C7 119.5(5) . . ? C9 C8 H8A 120.2 . . ? C7 C8 H8A 120.2 . . ? C8 C9 C10 120.7(5) . . ? C8 C9 H9 119.7 . . ? C10 C9 H9 119.7 . . ? C11 C10 C9 121.6(5) . . ? C11 C10 H10 119.2 . . ? C9 C10 H10 119.2 . . ? C10 C11 C12 118.0(5) . . ? C10 C11 H11 121.0 . . ? C12 C11 H11 121.0 . . ? N6 C12 C11 131.2(5) . . ? N6 C12 C7 107.6(4) . . ? C11 C12 C7 121.1(5) . . ? N7 C13 C14 115.2(6) . . ? N7 C13 H13A 108.5 . . ? C14 C13 H13A 108.5 . . ? N7 C13 H13B 108.5 . . ? C14 C13 H13B 108.5 . . ? H13A C13 H13B 107.5 . . ? C13 C14 C15 112.5(7) . . ? C13 C14 H14A 109.1 . . ? C15 C14 H14A 109.1 . . ? C13 C14 H14B 109.1 . . ? C15 C14 H14B 109.1 . . ? H14A C14 H14B 107.8 . . ? C14 C15 H15A 109.5 . . ? C14 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C14 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? N8 C16 C17 112.5(7) . . ? N8 C16 H16A 109.1 . . ? C17 C16 H16A 109.1 . . ? N8 C16 H16B 109.1 . . ? C17 C16 H16B 109.1 . . ? H16A C16 H16B 107.8 . . ? C16 C17 C18 110.2(8) . . ? C16 C17 H17A 109.6 . . ? C18 C17 H17A 109.6 . . ? C16 C17 H17B 109.6 . . ? C18 C17 H17B 109.6 . . ? H17A C17 H17B 108.1 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C16A N8A P3 113.6(11) . . ? C16A N8A H8AA 123.2 . . ? P3 N8A H8AA 123.2 . . ? N8A C16A C17A 106.5(13) . . ? N8A C16A H16C 110.4 . . ? C17A C16A H16C 110.4 . . ? N8A C16A H16D 110.4 . . ? C17A C16A H16D 110.4 . . ? H16C C16A H16D 108.6 . . ? C16A C17A C18A 118(2) . . ? C16A C17A H17C 107.9 . . ? C18A C17A H17C 107.9 . . ? C16A C17A H17D 107.9 . . ? C18A C17A H17D 107.9 . . ? H17C C17A H17D 107.2 . . ? C17A C18A H18D 109.5 . . ? C17A C18A H18E 109.5 . . ? H18D C18A H18E 109.5 . . ? C17A C18A H18F 109.5 . . ? H18D C18A H18F 109.5 . . ? H18E C18A H18F 109.5 . . ? C13A N7A P3 131.3(15) . . ? C13A N7A H7A 114.4 . . ? P3 N7A H7A 114.4 . . ? N7A C13A C14A 117.5(16) . . ? N7A C13A H13C 107.9 . . ? C14A C13A H13C 107.9 . . ? N7A C13A H13D 107.9 . . ? C14A C13A H13D 107.9 . . ? H13C C13A H13D 107.2 . . ? C13A C14A C15A 117.9(14) . . ? C13A C14A H14C 107.8 . . ? C15A C14A H14C 107.8 . . ? C13A C14A H14D 107.8 . . ? C15A C14A H14D 107.8 . . ? H14C C14A H14D 107.2 . . ? C14A C15A H15D 109.5 . . ? C14A C15A H15E 109.5 . . ? H15D C15A H15E 109.5 . . ? C14A C15A H15F 109.5 . . ? H15D C15A H15F 109.5 . . ? H15E C15A H15F 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag P1 N3 1.583(4) . ? P1 N1 1.610(4) . ? P1 N4 1.628(4) . ? P1 N5 1.653(4) . ? P2 N2 1.558(5) . ? P2 N1 1.566(4) . ? P2 Cl2 2.009(2) . ? P2 Cl1 2.028(2) . ? P3 N3 1.594(4) . ? P3 N7 1.601(6) . ? P3 N2 1.611(4) . ? P3 N7A 1.628(9) . ? P3 N8A 1.631(9) . ? P3 N8 1.657(6) . ? N4 C4 1.445(6) . ? N4 C1 1.455(6) . ? N5 C3 1.456(7) . ? N5 C2 1.459(6) . ? N6 C5 1.361(7) . ? N6 C12 1.369(6) . ? N6 H6 0.85(2) . ? N7 C13 1.443(10) . ? N7 H7 0.8800 . ? N8 C16 1.459(8) . ? N8 H8 0.8800 . ? C1 C2 1.503(7) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 C6 1.499(7) . ? C4 H4A 0.9900 . ? C4 H4B 0.9900 . ? C5 C6 1.365(7) . ? C5 H5 0.9500 . ? C6 C7 1.430(7) . ? C7 C8 1.392(7) . ? C7 C12 1.415(6) . ? C8 C9 1.373(7) . ? C8 H8A 0.9500 . ? C9 C10 1.393(8) . ? C9 H9 0.9500 . ? C10 C11 1.368(8) . ? C10 H10 0.9500 . ? C11 C12 1.395(7) . ? C11 H11 0.9500 . ? C13 C14 1.503(7) . ? C13 H13A 0.9900 . ? C13 H13B 0.9900 . ? C14 C15 1.517(8) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 C17 1.503(8) . ? C16 H16A 0.9900 . ? C16 H16B 0.9900 . ? C17 C18 1.519(8) . ? C17 H17A 0.9900 . ? C17 H17B 0.9900 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? N8A C16A 1.456(11) . ? N8A H8AA 0.8800 . ? C16A C17A 1.511(10) . ? C16A H16C 0.9900 . ? C16A H16D 0.9900 . ? C17A C18A 1.512(10) . ? C17A H17C 0.9900 . ? C17A H17D 0.9900 . ? C18A H18D 0.9800 . ? C18A H18E 0.9800 . ? C18A H18F 0.9800 . ? N7A C13A 1.449(13) . ? N7A H7A 0.8800 . ? C13A C14A 1.508(10) . ? C13A H13C 0.9900 . ? C13A H13D 0.9900 . ? C14A C15A 1.509(10) . ? C14A H14C 0.9900 . ? C14A H14D 0.9900 . ? C15A H15D 0.9800 . ? C15A H15E 0.9800 . ? C15A H15F 0.9800 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A _geom_hbond_publ_flag N6 H6 N3 0.85(2) 2.13(3) 2.959(5) 167(7) 2_667 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 N2 P2 N1 P1 -13.8(4) . . . . ? Cl2 P2 N1 P1 -140.5(3) . . . . ? Cl1 P2 N1 P1 113.1(3) . . . . ? N3 P1 N1 P2 7.5(4) . . . . ? N4 P1 N1 P2 137.5(3) . . . . ? N5 P1 N1 P2 -119.1(3) . . . . ? N1 P2 N2 P3 6.3(5) . . . . ? Cl2 P2 N2 P3 132.1(3) . . . . ? Cl1 P2 N2 P3 -121.1(3) . . . . ? N3 P3 N2 P2 6.1(4) . . . . ? N7 P3 N2 P2 132.7(4) . . . . ? N7A P3 N2 P2 121.8(7) . . . . ? N8A P3 N2 P2 -139.4(7) . . . . ? N8 P3 N2 P2 -111.4(4) . . . . ? N1 P1 N3 P3 6.1(4) . . . . ? N4 P1 N3 P3 -121.3(3) . . . . ? N5 P1 N3 P3 133.5(3) . . . . ? N7 P3 N3 P1 -143.2(4) . . . . ? N2 P3 N3 P1 -12.8(4) . . . . ? N7A P3 N3 P1 -123.3(7) . . . . ? N8A P3 N3 P1 134.5(7) . . . . ? N8 P3 N3 P1 100.2(4) . . . . ? N3 P1 N4 C4 60.5(5) . . . . ? N1 P1 N4 C4 -68.4(4) . . . . ? N5 P1 N4 C4 176.0(4) . . . . ? N3 P1 N4 C1 -118.8(4) . . . . ? N1 P1 N4 C1 112.2(4) . . . . ? N5 P1 N4 C1 -3.4(4) . . . . ? N3 P1 N5 C3 -81.2(4) . . . . ? N1 P1 N5 C3 46.5(5) . . . . ? N4 P1 N5 C3 160.2(4) . . . . ? N3 P1 N5 C2 141.4(3) . . . . ? N1 P1 N5 C2 -90.9(4) . . . . ? N4 P1 N5 C2 22.7(4) . . . . ? N3 P3 N7 C13 45.1(7) . . . . ? N2 P3 N7 C13 -85.0(7) . . . . ? N8 P3 N7 C13 162.7(6) . . . . ? N3 P3 N8 C16 61.4(8) . . . . ? N7 P3 N8 C16 -55.4(8) . . . . ? N2 P3 N8 C16 -177.1(7) . . . . ? C4 N4 C1 C2 164.6(5) . . . . ? P1 N4 C1 C2 -16.0(5) . . . . ? C3 N5 C2 C1 -172.8(4) . . . . ? P1 N5 C2 C1 -34.6(5) . . . . ? N4 C1 C2 N5 30.7(6) . . . . ? C1 N4 C4 C6 75.4(6) . . . . ? P1 N4 C4 C6 -104.0(5) . . . . ? C12 N6 C5 C6 0.0(6) . . . . ? N6 C5 C6 C7 -0.3(6) . . . . ? N6 C5 C6 C4 178.8(5) . . . . ? N4 C4 C6 C5 -9.6(8) . . . . ? N4 C4 C6 C7 169.4(4) . . . . ? C5 C6 C7 C8 -179.2(5) . . . . ? C4 C6 C7 C8 1.6(9) . . . . ? C5 C6 C7 C12 0.6(5) . . . . ? C4 C6 C7 C12 -178.6(5) . . . . ? C12 C7 C8 C9 -0.4(7) . . . . ? C6 C7 C8 C9 179.4(5) . . . . ? C7 C8 C9 C10 0.9(8) . . . . ? C8 C9 C10 C11 -0.1(10) . . . . ? C9 C10 C11 C12 -1.2(9) . . . . ? C5 N6 C12 C11 -179.4(6) . . . . ? C5 N6 C12 C7 0.4(6) . . . . ? C10 C11 C12 N6 -178.5(6) . . . . ? C10 C11 C12 C7 1.7(8) . . . . ? C8 C7 C12 N6 179.2(4) . . . . ? C6 C7 C12 N6 -0.6(5) . . . . ? C8 C7 C12 C11 -0.9(7) . . . . ? C6 C7 C12 C11 179.2(5) . . . . ? P3 N7 C13 C14 73.2(9) . . . . ? N7 C13 C14 C15 -179.9(8) . . . . ? P3 N8 C16 C17 -173.5(6) . . . . ? N8 C16 C17 C18 -177.8(8) . . . . ? N3 P3 N8A C16A -54.1(18) . . . . ? N2 P3 N8A C16A 91.2(16) . . . . ? N7A P3 N8A C16A -165.9(18) . . . . ? P3 N8A C16A C17A 169.8(16) . . . . ? N8A C16A C17A C18A 172(2) . . . . ? N3 P3 N7A C13A 59(2) . . . . ? N2 P3 N7A C13A -61(2) . . . . ? N8A P3 N7A C13A 177(2) . . . . ? P3 N7A C13A C14A -91(3) . . . . ? N7A C13A C14A C15A 172.4(19) . . . . ?