#------------------------------------------------------------------------------ #$Date: 2022-09-23 05:09:46 +0300 (Fri, 23 Sep 2022) $ #$Revision: 278105 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/24/41/2244178.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2244178 loop_ _publ_author_name 'Archana, Sreeramapura D.' 'Kiran Kumar, Haruvegowda' 'Shankara Prasad, Holehundi J.' 'Yathirajan, Hemmige S.' 'Parkin, Sean' _publ_section_title ; Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K ; _journal_coeditor_code TX2058 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first ; ; _journal_paper_doi 10.1107/S2056989022009008 _journal_volume 78 _journal_year 2022 _chemical_absolute_configuration ad _chemical_formula_iupac 'C17 H17 N3 O3' _chemical_formula_moiety 'C17 H17 N3 O3' _chemical_formula_sum 'C17 H17 N3 O3' _chemical_formula_weight 311.33 _chemical_name_systematic ; 1-Benzoyl-4-(4-nitrophenyl)piperazine ; _space_group_crystal_system orthorhombic _space_group_IT_number 33 _space_group_name_Hall 'P 2c -2n' _space_group_name_H-M_alt 'P n a 21' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method 'SHELXL-2019/2 and CIFFIX' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 18.7779(4) _cell_length_b 10.0699(2) _cell_length_c 15.7288(3) _cell_measurement_reflns_used 9920 _cell_measurement_temperature 90.0(2) _cell_measurement_theta_max 74.30 _cell_measurement_theta_min 4.39 _cell_volume 2974.18(10) _computing_cell_refinement ; APEX3 (Bruker, 2016) ; _computing_data_collection ; APEX3 (Bruker, 2016) ; _computing_data_reduction ; APEX3 (Bruker, 2016) ; _computing_molecular_graphics ; XP in SHELXTL (Sheldrick, 2008) ; _computing_publication_material ; SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010) ; _computing_structure_refinement ; SHELXL2019/2 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT (Sheldrick, 2015a) ; _diffrn_ambient_temperature 90.0(2) _diffrn_detector_area_resol_mean 7.41 _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.988 _diffrn_measurement_device_type 'Bruker D8 Venture dual source' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0271 _diffrn_reflns_av_unetI/netI 0.0256 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 24139 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 74.456 _diffrn_reflns_theta_min 4.710 _diffrn_source microsource _exptl_absorpt_coefficient_mu 0.799 _exptl_absorpt_correction_T_max 0.942 _exptl_absorpt_correction_T_min 0.854 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour orange _exptl_crystal_density_diffrn 1.391 _exptl_crystal_description 'cut block' _exptl_crystal_F_000 1312 _exptl_crystal_size_max 0.240 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.120 _refine_diff_density_max 0.178 _refine_diff_density_min -0.155 _refine_ls_abs_structure_details ; Flack x determined using 2442 quotients [(I^+^)-(I^-^)]/[(I^+^)+(I^-^)] (Parsons et al., 2013) ; _refine_ls_abs_structure_Flack 0.01(5) _refine_ls_extinction_coef 0.0022(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method ; SHELXL2019/2 (Sheldrick 2015b) ; _refine_ls_goodness_of_fit_ref 1.042 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 416 _refine_ls_number_reflns 5684 _refine_ls_number_restraints 1 _refine_ls_restrained_S_all 1.042 _refine_ls_R_factor_all 0.0286 _refine_ls_R_factor_gt 0.0279 _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^)+(0.0371P)^2^+0.6857P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0742 _refine_ls_wR_factor_ref 0.0748 _reflns_number_gt 5575 _reflns_number_total 5684 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file tx2058sup1.cif _cod_data_source_block I _cod_database_code 2244178 _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 0.831 _shelx_estimated_absorpt_t_max 0.910 _shelx_hkl_file ; 1 0 0 0.25890 0.10378 3 3 0 0 0.46707 0.20028 9 4 0 0 191.244 6.50215 9 4 0 0 196.373 6.65671 3 -5 0 0 0.50026 0.35718 9 5 0 0 0.06164 0.29227 9 5 0 0 0.40626 0.37266 3 6 0 0 383.208 12.1427 9 6 0 0 363.053 12.4918 3 -6 0 0 365.910 12.7437 9 -7 0 0 -0.2053 0.47897 9 7 0 0 0.55022 0.38801 9 -8 0 0 1444.48 47.8485 2 8 0 0 1422.75 46.8445 6 -8 0 0 1481.00 46.9390 9 9 0 0 -0.2126 0.66970 6 -9 0 0 0.96778 1.14107 2 -9 0 0 0.43559 0.91120 9 -10 0 0 127.973 6.23733 2 -10 0 0 123.949 5.65368 9 0 1 0 0.23377 0.06443 7 -1 -1 0 134.180 4.29608 3 1 -1 0 133.274 4.38434 3 1 1 0 135.948 4.29512 7 2 -1 0 0.93340 0.31973 3 2 1 0 0.56789 0.14629 3 3 1 0 819.861 25.9630 3 3 -1 0 824.292 26.0633 9 4 -1 0 0.29775 0.25018 3 -4 1 0 0.38578 0.26843 9 4 -1 0 0.36506 0.34284 9 4 1 0 0.62006 0.28985 3 -5 1 0 1113.81 34.7752 9 -5 -1 0 1064.79 34.7468 9 5 1 0 1048.64 34.4459 3 5 -1 0 1084.97 34.6645 3 5 -1 0 1113.95 34.4885 9 -6 1 0 0.19376 0.56448 9 6 -1 0 0.79763 0.50835 3 6 -1 0 0.55163 0.43003 9 6 1 0 1.52265 0.29350 9 -7 -1 0 312.383 11.5611 9 -7 1 0 329.658 11.5835 9 7 -1 0 331.581 10.8646 9 -8 -1 0 -0.3079 0.80711 9 8 -1 0 -1.4930 0.77544 6 -8 1 0 0.55368 1.04437 2 -8 -1 0 1.45804 1.11147 2 -8 1 0 0.69024 0.83810 9 8 1 0 0.32658 0.76530 6 -9 -1 0 246.321 9.48572 9 9 -1 0 233.493 9.13762 6 9 1 0 238.684 9.28633 6 -9 -1 0 246.831 10.1702 2 -9 1 0 255.693 9.48950 9 -9 1 0 249.894 10.2442 2 -10 -1 0 -0.0735 0.81151 2 -10 1 0 -0.1886 1.02764 2 -10 1 0 0.29380 0.87010 9 -10 -1 0 -0.7777 1.01964 9 -1 -2 0 0.24193 0.05112 3 -1 2 0 0.25374 0.12571 7 1 2 0 0.18409 0.14864 7 1 -2 0 0.21492 0.16579 3 3 -2 0 0.36513 0.25158 9 -3 2 0 0.42572 0.24680 9 3 -2 0 0.31885 0.32016 3 4 -2 0 235.716 7.98919 9 4 -2 0 239.998 8.08263 3 -4 2 0 231.716 8.03157 9 4 2 0 231.779 7.72036 3 5 -2 0 0.28749 0.40556 9 5 -2 0 0.12741 0.41968 3 5 2 0 0.55586 0.25608 3 -5 2 0 0.59210 0.47033 9 -6 -2 0 543.704 18.0066 9 6 -2 0 540.788 17.5504 9 -6 2 0 529.061 17.8123 9 6 -2 0 523.354 17.7853 3 -7 -2 0 2.03925 0.89795 9 7 -2 0 0.60174 0.51684 9 -7 2 0 0.09022 0.44358 9 -7 2 0 0.89866 0.48407 7 7 -2 0 0.43953 0.74430 3 8 -2 0 25.1036 2.39090 6 -8 2 0 30.3636 2.19941 9 8 2 0 29.7712 2.39136 6 -8 -2 0 34.6408 2.55080 9 -8 -2 0 29.1589 2.74925 2 -8 2 0 32.6354 2.72209 2 8 -2 0 32.9749 1.79050 9 9 2 0 0.22410 0.54428 6 -9 -2 0 0.82957 1.01406 2 -9 -2 0 1.63996 1.11028 9 -9 2 0 -0.3755 0.57095 9 -9 2 0 0.98532 0.87181 2 -10 2 0 392.029 13.8363 9 -10 2 0 401.343 14.6285 2 -10 -2 0 380.970 14.0392 9 -11 2 0 1.38910 0.80713 2 1 -3 0 97.3615 3.33023 3 -1 3 0 97.5714 3.34084 7 1 3 0 97.3958 3.30305 7 -2 3 0 0.42677 0.24427 9 2 3 0 1.00874 0.20088 7 2 -3 0 1.53076 0.31340 3 3 -3 0 96.9597 3.70405 9 -3 3 0 98.3228 3.62420 9 3 -3 0 104.051 3.76178 3 4 -3 0 0.09683 0.37827 3 -4 3 0 0.21288 0.27746 9 4 -3 0 1.29824 0.48368 9 -5 3 0 443.678 14.9983 9 -5 3 0 457.012 14.7674 7 5 -3 0 457.822 15.1368 3 5 -3 0 450.159 14.9858 9 6 -3 0 0.54797 0.49767 9 -6 3 0 0.71670 0.41836 7 -6 3 0 0.99994 0.47871 9 6 -3 0 0.21000 0.39135 3 -7 3 0 20.2236 1.62456 9 7 -3 0 17.9700 1.79554 3 -7 3 0 17.2608 1.33873 7 7 -3 0 19.9508 1.43452 9 -8 -3 0 -0.3867 1.10733 2 -8 3 0 1.46464 0.80767 9 8 3 0 -0.3066 0.52475 6 8 -3 0 -0.1548 0.56166 9 8 -3 0 1.08280 1.03405 2 -8 3 0 0.09996 1.02404 2 -9 3 0 75.8906 4.55327 2 -9 3 0 77.2974 3.93080 9 -9 -3 0 76.5491 4.60196 2 9 3 0 76.6644 3.97469 6 10 3 0 -0.2570 0.44788 6 -10 3 0 0.42861 0.63173 9 -10 -3 0 1.60404 1.17035 2 11 3 0 186.401 7.05593 6 -1 4 0 0.11898 0.24575 7 1 -4 0 0.24354 0.15434 3 1 4 0 0.45432 0.24567 7 2 -4 0 2251.13 70.9004 1 -2 -4 0 2106.29 68.2032 1 -2 4 0 2226.18 70.9467 1 -2 -4 0 2164.08 68.2125 1 3 4 0 0.25190 0.23546 7 -3 4 0 0.06936 0.27642 9 3 -4 0 0.27554 0.33433 3 -3 4 0 0.24130 0.28908 7 -3 -4 0 0.18329 0.20939 3 3 -4 0 0.02103 0.35975 9 -4 4 0 370.247 12.3578 9 4 -4 0 352.600 12.4595 9 4 -4 0 384.060 12.5778 3 -4 4 0 388.702 12.3198 7 -5 4 0 0.25443 0.37096 7 5 -4 0 -0.0932 0.31822 9 5 -4 0 0.45771 0.48800 3 -5 4 0 -0.0310 0.28775 9 -6 4 0 162.103 5.98774 7 6 -4 0 166.139 6.45641 3 7 -4 0 2.02690 0.71687 3 7 4 0 1.00950 0.63175 6 -7 4 0 0.47343 0.59693 9 7 -4 0 1.09725 1.01928 2 -7 4 0 0.12468 0.58507 7 -7 4 0 -0.4201 0.89635 2 7 -4 0 0.51390 0.60865 9 -8 4 0 243.032 9.23059 9 -8 4 0 254.961 10.1340 2 8 -4 0 257.979 8.95739 9 -8 -4 0 249.851 10.2584 2 8 4 0 236.324 9.77089 4 8 -4 0 248.377 9.67946 2 -8 4 0 241.208 10.3353 5 8 4 0 250.802 9.67537 6 -9 4 0 0.72936 1.45189 5 -9 -4 0 0.05077 1.06083 2 -9 4 0 -0.1905 0.76823 9 -9 4 0 1.07819 1.11933 2 9 4 0 -0.2370 0.74521 6 -10 4 0 25.1699 2.46835 5 -10 -4 0 24.0845 2.29908 2 10 4 0 20.9164 1.84878 6 11 4 0 0.74693 0.65939 6 0 -5 0 2.35383 0.27108 3 1 -5 0 40.0109 1.65348 3 1 5 0 40.3631 1.68469 7 -1 5 0 41.2828 1.74072 7 2 5 0 1.13475 0.28326 7 -2 5 0 1.05454 0.22222 9 -2 5 0 0.15841 0.31615 7 -2 -5 0 0.66220 0.12685 3 3 -5 0 399.842 13.0010 3 -3 5 0 392.490 12.6841 9 3 5 0 390.875 12.6656 7 -3 -5 0 385.690 12.5526 3 -3 5 0 389.403 12.8417 7 -4 5 0 0.16951 0.35631 7 -4 5 0 2.37813 0.52164 9 4 -5 0 0.86789 0.52204 9 4 -5 0 0.55953 0.44935 3 5 -5 0 109.904 4.58261 9 5 -5 0 115.831 4.70960 3 -5 5 0 116.348 4.41725 9 -5 5 0 111.320 4.36367 7 -6 5 0 1.12094 0.56669 7 -6 5 0 -0.6284 0.45178 9 6 -5 0 -0.2493 0.60248 3 6 -5 0 0.31486 0.58866 9 -7 5 0 21.9472 2.49692 5 -7 5 0 29.7216 2.72648 2 7 -5 0 30.1861 2.28829 3 -7 5 0 29.1585 1.91914 7 7 -5 0 33.2052 2.14094 9 -7 5 0 28.5828 1.88653 9 -8 -5 0 1.01437 1.22943 2 -8 5 0 0.09248 0.75850 2 8 5 0 1.03322 1.09419 4 8 -5 0 1.05244 0.90419 3 8 5 0 0.80008 0.87227 6 8 -5 0 0.35726 0.49583 9 -8 5 0 0.41432 0.50945 9 8 -5 0 -0.3214 1.02946 2 -8 5 0 -0.0712 1.35508 5 -9 -5 0 353.433 13.5472 2 -9 5 0 350.038 13.7625 5 9 5 0 366.160 13.1466 6 -9 5 0 360.513 12.5168 9 -10 -5 0 -0.0755 0.99974 2 10 5 0 0.16716 0.53730 6 11 5 0 298.423 10.4135 6 0 -6 0 784.273 24.8435 3 0 6 0 792.867 25.3150 7 -1 -6 0 0.32277 0.09404 3 1 -6 0 0.20172 0.25998 3 1 6 0 0.34618 0.35368 7 -1 6 0 0.28520 0.24938 7 -2 -6 0 1403.02 43.7345 3 3 -6 0 0.34773 0.34161 9 3 6 0 0.83811 0.36830 7 -3 6 0 -0.0918 0.24837 7 -3 -6 0 0.27729 0.20390 3 3 -6 0 -0.1847 0.37261 3 -4 6 0 1370.40 43.5022 9 4 -6 0 1398.99 44.0026 3 -4 6 0 1363.55 43.7696 7 -5 6 0 0.71056 0.44187 9 5 -6 0 0.19226 0.38871 9 -5 6 0 -0.0799 0.44633 7 5 -6 0 0.05204 0.52169 3 -6 6 0 34.1781 1.93558 9 -6 6 0 31.1020 1.93407 7 6 -6 0 33.5739 2.10491 9 6 -6 0 27.2810 2.13560 3 7 -6 0 0.24141 0.50599 9 7 6 0 0.58240 0.56160 6 7 -6 0 -0.2007 0.82357 3 -7 6 0 2.08498 1.24606 5 -7 6 0 -0.1385 0.41351 9 7 -6 0 -0.3659 0.64624 2 7 6 0 0.66839 1.07920 4 -7 6 0 -0.5159 0.64874 2 -7 6 0 -0.0950 0.70424 7 8 -6 0 34.9345 2.34218 9 -8 6 0 33.3997 2.18382 9 8 6 0 33.2076 2.86074 4 8 6 0 31.8689 2.80052 6 8 -6 0 31.3686 2.53507 3 -9 -6 0 -0.0946 1.01721 2 9 6 0 1.02636 0.70117 6 -9 6 0 1.05448 0.96048 5 -10 -6 0 9.91415 1.53311 2 10 6 0 10.4169 1.41286 6 -11 6 0 0.53412 0.73475 5 11 6 0 -0.0583 0.45305 6 0 7 0 0.29963 0.35152 7 1 7 0 144.668 5.12851 7 1 -7 0 145.481 5.00299 3 -1 7 0 142.132 5.18955 7 -1 -7 0 138.727 4.61029 3 3 -7 0 325.771 11.3312 9 -3 7 0 314.310 10.4517 9 3 -7 0 337.051 11.2609 3 -3 7 0 337.135 11.2064 7 3 7 0 337.276 10.9805 7 4 -7 0 0.23298 0.36660 3 4 -7 0 0.54987 0.62245 9 4 7 0 0.14279 0.35468 7 -4 7 0 -0.3430 0.29313 7 -5 7 0 191.548 7.01928 7 -5 7 0 195.051 6.64852 9 5 -7 0 182.551 7.18693 9 5 -7 0 190.204 7.30864 3 6 -7 0 -0.1845 0.47946 3 -6 7 0 -0.0625 0.47505 9 6 -7 0 0.24782 0.66424 9 -6 7 0 0.61159 0.89760 8 6 7 0 0.11067 0.52757 6 6 -7 0 0.80458 0.69514 2 -6 7 0 2.42914 1.23055 5 -6 7 0 0.64159 0.49173 7 7 -7 0 84.0746 4.17502 3 7 7 0 76.1888 4.49018 4 -7 7 0 78.3956 4.13380 2 7 7 0 85.8494 4.40684 6 -7 7 0 79.4739 3.72531 7 7 -7 0 83.9574 4.57848 2 -7 7 0 82.0903 4.82011 5 8 7 0 0.56957 0.78905 4 8 -7 0 0.96188 0.88086 2 8 7 0 0.70283 0.88000 6 8 -7 0 -0.5001 0.48240 9 -8 7 0 1.12595 0.88164 5 9 7 0 84.8301 4.35549 6 -9 -7 0 79.4402 4.31095 2 10 7 0 0.35919 0.55891 6 -10 -7 0 0.52813 0.68880 2 11 7 0 581.115 19.0703 6 0 8 0 233.822 8.05624 7 0 -8 0 229.831 7.64552 3 -1 8 0 0.57560 0.46213 7 1 8 0 -0.1307 0.24101 7 1 -8 0 -0.0345 0.24582 3 2 8 0 648.347 21.5398 7 2 -8 0 673.803 21.6122 3 -2 8 0 677.401 21.7355 7 3 -8 0 0.52494 0.35262 3 3 -8 0 -0.0747 0.70897 9 3 8 0 0.22479 0.40868 7 4 -8 0 28.6118 1.85071 3 -4 8 0 27.8938 1.84443 7 4 -8 0 26.8573 1.87815 9 4 8 0 28.2016 1.74207 7 -5 8 0 -0.1098 0.54455 7 -5 8 0 0.02794 0.35134 9 5 -8 0 0.92092 0.68221 3 6 -8 0 223.233 9.46332 2 6 8 0 224.064 9.10835 4 -6 8 0 226.616 9.41750 5 6 -8 0 227.499 8.75724 3 -6 8 0 230.347 9.16886 8 6 -8 0 226.554 8.63393 9 6 8 0 227.911 9.10134 6 7 -8 0 0.13678 0.56092 9 -7 8 0 0.73180 0.46149 9 7 -8 0 0.34138 0.74025 2 7 8 0 1.09122 0.65086 6 -7 8 0 -0.9064 0.93637 7 -7 8 0 0.54912 1.21287 5 7 8 0 0.78391 1.10315 4 7 -8 0 2.36448 1.04240 3 8 8 0 148.094 6.80453 4 8 -8 0 159.854 6.41408 9 8 8 0 160.248 6.95062 6 8 -8 0 157.007 7.13839 2 -8 8 0 160.536 7.25933 5 -9 8 0 1.57884 0.95553 5 9 8 0 0.51039 0.84973 6 -10 -8 0 205.638 7.88859 2 10 8 0 208.400 7.81618 6 11 8 0 0.06179 0.51389 6 0 -9 0 0.43912 0.21397 3 0 9 0 1.16915 0.54615 7 1 9 0 255.800 8.88858 7 1 -9 0 263.084 8.66445 3 -1 -9 0 246.006 8.14209 3 -2 9 0 4.71283 0.76299 7 3 -9 0 35.3242 2.02270 3 3 9 0 31.8235 1.85765 7 -3 9 0 31.3593 2.02086 7 -4 9 0 2.01835 0.71155 7 4 -9 0 0.39759 0.55414 3 4 9 0 0.67476 0.51394 7 4 -9 0 0.56292 0.64389 9 5 -9 0 85.9041 4.03864 3 5 -9 0 77.4890 4.64992 2 5 9 0 77.6468 4.23160 6 -5 9 0 79.7502 4.31382 8 5 -9 0 75.1686 3.83336 9 -5 9 0 83.0796 4.66457 5 -5 9 0 82.8851 3.82981 7 6 -9 0 0.50211 0.78798 2 6 9 0 1.05672 1.07594 4 -6 9 0 0.29104 0.64128 8 6 -9 0 0.01227 0.56943 3 6 9 0 -0.6449 0.74543 6 -6 9 0 -0.0423 1.00123 5 6 -9 0 1.93704 0.84489 9 -6 9 0 1.54541 0.86066 7 7 -9 0 102.071 4.75609 9 7 -9 0 100.509 5.37771 2 7 9 0 102.959 5.02987 6 7 9 0 89.2529 4.99481 4 -7 9 0 100.701 5.25976 5 8 9 0 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32.0174 2.92098 4 6 10 0 37.7008 2.76675 6 7 10 0 -0.7003 0.73938 6 7 -10 0 -0.0686 0.64968 9 7 -10 0 1.84252 1.15405 2 7 10 0 0.03134 1.03400 4 -7 10 0 0.04721 0.74392 5 8 10 0 153.956 6.57349 6 8 -10 0 147.833 6.14471 9 -8 10 0 160.841 6.84210 5 8 10 0 141.170 6.37044 4 -9 10 0 0.89884 0.74818 5 9 10 0 0.74966 0.55798 6 10 10 0 110.059 4.43806 6 0 -11 0 0.18989 0.26786 3 0 11 0 -0.5460 0.52020 7 1 11 0 56.8061 2.83568 7 1 -11 0 52.6551 2.42730 3 -1 11 0 55.5742 2.85480 7 -2 11 0 1.01389 0.54287 7 -2 11 0 0.28515 0.73052 8 2 -11 0 0.56448 0.44283 3 2 11 0 0.06016 0.47004 7 -3 11 0 32.8347 2.61379 7 3 11 0 36.1117 2.20350 7 3 11 0 36.1822 2.59622 6 -3 11 0 36.6863 2.32227 5 3 -11 0 36.6413 2.17820 3 3 11 0 35.1953 2.89351 8 -3 11 0 31.8096 3.08263 8 3 11 0 34.6143 3.04840 4 -4 11 0 3.37043 0.93039 8 4 11 0 0.48883 0.70710 6 4 -11 0 1.88869 1.23465 2 4 11 0 -0.5900 1.05124 4 -4 11 0 1.08123 0.73869 5 4 -11 0 1.22888 0.56378 3 4 11 0 0.24918 0.73744 7 -4 11 0 0.46437 0.55993 7 4 11 0 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4.78661 3 1 -1 -2 148.865 4.86412 3 -3 1 2 504.259 15.7476 7 -3 1 2 483.372 16.0487 9 3 -1 2 502.428 16.0476 9 3 -1 2 537.971 16.1437 3 3 1 -2 500.506 15.9004 3 3 -1 -2 497.766 15.9878 9 3 1 2 494.156 15.9724 3 3 -1 -2 492.567 16.0273 3 -3 1 -2 475.883 16.0839 9 4 1 -2 1978.21 65.4341 1 4 -1 2 1990.67 66.4446 1 -4 -1 -2 2004.60 65.4681 1 -4 1 2 1986.41 66.3353 1 -4 1 -2 1998.06 65.9744 1 4 -1 -2 1995.81 66.0968 1 4 1 2 1945.38 65.7219 1 -4 -1 2 2057.41 65.8962 1 5 -1 2 423.812 14.2862 3 5 1 -2 419.588 14.0156 3 5 1 -2 422.448 13.7100 9 -5 1 2 427.542 14.2845 9 5 -1 2 437.500 14.1035 9 -5 -1 -2 424.243 14.3727 9 -5 1 2 434.295 13.7539 7 -5 1 -2 436.386 14.3951 9 -5 -1 2 432.347 14.3136 9 5 1 2 435.160 13.7669 9 5 -1 -2 422.983 14.1917 3 5 -1 -2 445.128 14.0496 9 5 1 2 415.232 14.0995 3 6 1 -2 626.654 19.6304 9 6 -1 2 622.208 20.1227 9 -6 1 2 626.364 20.5101 9 -6 -1 -2 630.072 20.6644 9 -6 1 -2 618.942 20.6017 9 6 1 2 617.381 19.6356 9 6 -1 -2 622.270 20.0492 9 -6 -1 2 607.220 20.5036 9 6 -1 -2 612.457 20.3498 3 7 -1 2 16.1487 1.22434 9 -7 -1 -2 13.5517 1.71440 9 -7 1 2 16.0772 1.57985 9 -7 1 -2 14.4173 1.49784 9 -7 -1 2 12.2742 1.62421 9 7 -1 -2 15.7677 1.16416 9 -8 1 2 228.959 9.73398 2 -8 -1 -2 233.237 8.99426 9 -8 1 2 230.403 8.77238 9 8 -1 2 219.281 8.72421 6 8 1 -2 230.841 8.82490 6 -8 -1 -2 227.415 9.51071 2 -8 -1 2 225.588 8.78976 9 -8 1 -2 238.437 9.67203 2 8 -1 -2 228.594 7.65525 9 8 1 2 232.033 8.89645 6 -8 1 -2 234.735 8.91045 9 -8 -1 2 226.510 9.68820 2 -9 1 2 57.7915 4.04778 2 9 -1 2 57.0509 3.18699 6 -9 -1 -2 57.2891 3.80957 2 -9 -1 -2 52.5347 3.45570 9 9 1 -2 57.2636 3.14193 6 -9 1 2 59.2190 3.35893 9 9 1 2 58.1600 3.25609 6 -9 -1 2 56.0209 3.29373 9 -9 -1 2 55.7920 4.02334 2 -9 1 -2 59.7301 3.95116 2 9 -1 -2 54.8688 3.11156 6 -9 1 -2 61.0557 3.53498 9 -10 1 2 169.932 6.89537 9 -10 -1 -2 163.730 7.14423 9 -10 -1 -2 161.784 8.25695 2 10 1 -2 164.294 6.65765 6 -10 1 -2 174.996 7.07176 9 -10 1 -2 181.425 7.57500 2 -10 -1 2 165.566 7.06964 9 -10 -1 2 182.998 7.91220 2 -11 1 2 13.1111 1.68306 2 -11 -1 -2 11.7106 1.88182 2 -11 1 -2 12.0944 1.56645 2 -12 1 -2 54.2209 2.71398 2 0 -2 -2 106.446 3.47289 3 0 2 2 106.067 3.52962 7 -1 2 2 87.7505 2.92699 7 1 2 -2 85.4348 2.86805 7 1 -2 -2 86.4329 2.97822 3 1 2 2 88.4720 2.95785 7 -2 2 2 353.918 11.3887 7 2 2 -2 357.296 11.2759 7 2 -2 2 358.488 11.5888 3 2 -2 -2 374.117 11.5815 3 2 2 2 346.460 11.4004 3 3 -2 2 769.454 25.2163 9 -3 2 2 793.536 25.1852 9 3 2 -2 776.288 24.9286 3 3 -2 2 839.858 25.3131 3 -3 2 2 802.157 24.9500 7 -3 2 -2 781.941 25.2406 9 3 -2 -2 791.692 25.1946 9 3 2 2 778.910 24.9922 3 -4 2 2 659.316 21.2814 9 4 -2 2 644.658 21.3656 3 4 2 -2 639.513 20.9691 3 4 -2 2 657.476 21.2801 9 -4 2 2 673.305 20.9515 7 4 -2 -2 683.619 21.2594 9 4 2 2 642.531 21.0436 3 4 -2 -2 679.353 21.3258 3 -4 2 -2 663.968 21.3622 9 -5 2 2 103.931 4.09228 9 -5 -2 -2 109.610 4.31136 9 5 -2 2 105.996 4.07729 9 5 2 -2 93.2796 3.74293 3 -5 2 2 104.138 3.69529 7 5 -2 2 106.822 4.20361 3 5 -2 -2 107.900 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1.67282 9 9 2 2 9.26863 1.32427 6 -9 -2 2 10.8708 1.82012 9 -9 2 -2 11.7957 2.11523 2 -9 -2 2 9.01904 1.71388 2 -10 2 2 19.2620 1.73888 9 10 2 -2 18.7753 1.80519 6 -10 -2 -2 19.7890 1.92950 9 -10 2 -2 19.6333 2.03426 9 -10 2 -2 21.7640 2.23813 2 -10 -2 2 20.1687 1.96195 9 10 2 2 18.0055 1.94640 6 11 2 -2 19.5178 1.53331 6 -11 -2 -2 18.2696 2.14843 2 -11 -2 2 17.8087 1.96512 2 -1 3 2 127.358 4.30700 7 -1 -3 -2 129.041 4.14728 3 1 3 -2 130.086 4.33762 7 -1 -3 2 126.944 4.16008 3 1 -3 -2 130.624 4.32897 3 1 3 2 127.148 4.31818 7 2 -3 2 482.796 14.9805 3 2 3 -2 455.459 14.6859 7 -2 3 2 451.096 14.7964 7 -2 3 2 447.740 14.8154 9 -2 -3 -2 479.960 14.7227 3 2 3 2 470.759 14.8196 7 -2 -3 2 458.539 14.7862 3 2 -3 -2 470.805 14.9414 3 -3 3 2 102.390 3.73911 9 -3 3 2 103.692 3.62793 7 3 -3 2 107.465 3.92610 3 3 -3 2 99.2852 3.83900 9 3 -3 -2 105.891 3.86785 3 3 -3 -2 104.139 3.84857 9 -4 3 2 650.071 20.9274 9 4 -3 2 667.300 21.1261 3 -4 3 2 659.503 20.6939 7 4 -3 2 614.588 20.9774 9 4 -3 -2 641.140 20.9606 9 -4 3 -2 643.508 21.0009 9 4 -3 -2 667.517 21.0506 3 -5 3 2 328.642 11.1887 9 -5 3 2 328.001 10.8498 7 5 -3 2 337.901 11.4129 3 5 -3 2 327.100 11.2237 9 5 -3 -2 326.735 11.1635 9 5 -3 -2 325.605 11.2773 3 -5 3 -2 336.109 11.3016 9 6 -3 2 38.1947 2.27520 3 6 -3 2 36.2563 2.02059 9 -6 3 2 36.9455 1.79310 7 -6 3 2 37.2374 2.07493 9 6 -3 -2 33.8494 2.05358 3 6 -3 -2 35.0732 2.20296 9 -6 3 -2 36.4844 2.22888 9 -7 3 2 228.493 8.48906 9 7 -3 2 241.090 8.33539 9 7 -3 2 231.589 8.72323 3 -7 3 2 219.071 9.30872 2 7 3 2 233.821 9.26753 6 -7 3 -2 214.015 9.61100 2 7 -3 -2 239.980 8.23819 9 7 -3 -2 223.707 8.52264 3 -7 3 -2 230.284 8.55318 9 -8 3 2 365.057 13.8213 2 8 3 -2 364.582 13.7554 4 8 -3 2 352.930 12.9791 2 -8 -3 -2 364.666 13.8177 2 8 3 -2 360.329 13.1597 6 -8 3 -2 369.495 13.5199 9 8 3 2 367.603 13.2416 6 8 -3 -2 343.360 13.0378 2 -8 -3 2 364.576 13.9958 2 -8 3 -2 373.443 13.7683 2 -9 -3 -2 182.157 8.11248 2 -9 3 2 183.286 7.29616 9 9 3 -2 181.455 7.40474 6 -9 -3 2 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0 4 166.224 6.26099 3 -5 0 4 168.268 6.25995 9 5 0 4 173.680 6.01063 9 -5 0 -4 172.332 6.41668 9 5 0 -4 171.274 6.12223 3 5 0 -4 174.736 5.89891 9 -6 0 4 986.592 32.2784 9 6 0 4 1023.12 32.6579 3 6 0 4 1015.08 31.7669 9 6 0 -4 1008.55 31.6688 9 -6 0 -4 979.913 32.4617 9 6 0 -4 976.416 32.0785 3 7 0 -4 125.224 4.40643 9 -7 0 4 126.537 5.31128 9 7 0 4 129.070 4.45891 9 7 0 -4 122.655 6.62021 4 -8 0 4 464.085 17.5346 2 -8 0 4 475.258 16.4063 9 -8 0 -4 481.269 17.3053 2 -8 0 -4 473.025 16.6405 9 8 0 4 471.196 16.5311 6 -9 0 4 40.2947 2.61909 9 9 0 4 38.5219 2.58003 6 -9 0 -4 41.4044 3.00025 9 -9 0 4 36.7508 3.36323 2 -9 0 -4 39.7223 3.04563 2 -10 0 -4 12.5444 1.59020 9 -10 0 4 10.3160 1.34418 9 -10 0 4 10.5959 2.06812 2 -10 0 -4 11.9470 2.00853 2 -11 0 -4 34.7330 2.42327 2 -12 0 -4 1.24849 0.57049 2 1 1 -4 475.708 14.8489 3 -1 1 4 463.759 14.7140 7 -1 -1 -4 476.665 14.8738 3 -1 1 -4 457.682 14.9219 3 1 -1 -4 463.779 14.8802 3 2 1 -4 304.075 9.75994 9 -2 1 4 296.525 9.89194 9 -2 -1 -4 314.324 9.91917 3 2 1 -4 311.054 9.83209 3 2 -1 4 297.977 9.93195 9 -2 1 4 311.824 9.59372 7 2 1 4 303.498 9.89102 3 2 -1 -4 301.541 9.88061 9 2 1 4 294.917 9.81651 9 2 -1 -4 312.307 9.90875 3 -2 1 -4 298.611 9.96386 9 3 -1 4 161.415 5.73848 3 -3 1 4 160.581 5.64734 9 -3 1 4 164.446 5.17994 7 3 1 -4 159.232 5.41908 9 3 -1 4 158.853 5.65806 9 3 -1 -4 172.816 5.66215 3 -3 1 -4 160.684 5.73314 9 3 1 4 164.027 5.51229 9 3 -1 -4 169.015 5.60312 9 4 -1 4 2289.17 76.8045 1 -4 1 4 2334.44 76.2325 1 -4 -1 -4 2300.54 75.5335 1 -4 1 4 2306.20 76.7507 1 -4 -1 4 2374.41 75.7191 1 -4 -1 4 2258.76 76.2184 1 4 1 4 2237.23 76.1493 1 -4 1 -4 2370.74 76.1808 1 -5 1 4 1090.86 34.8091 9 5 1 -4 1056.98 34.5526 3 5 -1 4 1109.14 34.6827 9 5 1 -4 1089.36 34.2436 9 5 -1 4 1104.92 34.9333 3 -5 -1 -4 1081.99 34.9680 9 5 1 4 1047.90 34.7081 3 5 1 4 1080.17 34.3052 9 -5 -1 4 1077.62 34.8287 9 5 -1 -4 1101.18 34.7430 3 -5 1 -4 1091.14 34.9786 9 5 -1 -4 1115.33 34.5472 9 -6 -1 -4 194.681 7.39881 9 6 -1 4 186.320 7.21978 3 6 1 -4 191.381 6.37594 9 6 -1 4 202.023 6.94542 9 -6 1 4 194.812 7.20831 9 -6 1 -4 198.109 7.39021 9 -6 -1 4 188.093 7.20126 9 6 1 4 193.983 6.40172 9 6 -1 -4 193.004 7.09894 3 6 -1 -4 197.504 6.80687 9 7 -1 4 85.0650 3.37549 9 7 1 -4 79.0152 4.97753 4 -7 1 4 88.8623 3.92956 9 -7 -1 4 83.1325 4.22928 9 -7 1 -4 83.7970 4.09609 9 7 1 4 78.0669 3.97806 6 7 -1 -4 80.6444 3.25562 9 -7 1 -4 76.2844 4.80048 2 8 1 -4 2.36661 0.71100 6 -8 1 4 0.79048 1.21940 2 8 -1 4 1.51396 0.84352 6 -8 -1 -4 1.65617 0.90426 2 8 -1 4 1.72395 0.47915 9 -8 1 4 1.26427 0.79995 9 -8 -1 -4 0.56769 0.75413 9 -8 1 -4 1.81336 1.12708 2 8 1 4 1.70372 0.86912 6 -8 1 -4 0.24535 0.85785 9 8 -1 -4 1.14602 0.36014 9 -8 -1 4 0.41797 0.57979 9 -9 -1 -4 39.8651 3.24219 2 -9 1 4 38.8849 3.36705 2 -9 -1 -4 41.2260 3.01046 9 -9 1 4 38.4398 2.72292 9 9 1 -4 37.6297 2.52407 6 9 1 4 36.8464 2.58408 6 -9 -1 4 36.8229 3.33696 2 -9 1 -4 36.1211 2.81840 9 -9 1 -4 41.2886 3.21878 2 -9 -1 4 40.9596 2.79407 9 -10 -1 -4 49.5388 3.09123 9 -10 1 4 59.0758 4.24111 2 -10 1 4 49.6028 2.87564 9 -10 -1 4 52.3407 3.62926 2 10 1 4 47.7183 2.98981 6 -10 1 -4 50.0979 2.99022 9 -10 -1 4 53.1058 3.16332 9 -11 -1 -4 183.159 7.42195 2 -11 1 -4 180.990 7.31566 2 -12 1 4 42.6157 2.63202 2 -12 -1 -4 48.2829 2.40322 2 -12 1 -4 39.2458 2.22842 2 -1 2 4 437.823 13.3995 7 -1 -2 -4 433.990 13.4525 3 -1 2 4 414.071 13.4553 9 1 2 -4 427.305 13.3400 7 1 2 -4 411.331 13.4114 3 1 -2 -4 436.187 13.5171 3 -1 2 -4 394.570 13.4972 9 -2 2 4 1999.23 65.3383 1 -2 -2 -4 2040.07 64.7456 1 2 -2 4 2044.92 65.7971 1 -2 2 4 2005.32 65.7110 1 -2 -2 4 2084.99 64.9328 1 -2 2 -4 1957.80 65.2762 1 2 2 4 1991.81 64.9356 1 -2 -2 4 2030.47 65.0623 1 -3 2 4 131.520 4.16853 7 3 2 -4 123.902 4.12440 9 3 -2 4 127.651 4.60748 3 -3 2 4 127.631 4.48688 9 3 2 -4 126.957 4.30573 3 3 -2 4 125.515 4.54290 9 3 2 4 121.884 4.15518 9 3 2 4 120.252 4.37862 3 3 -2 -4 123.877 4.46617 9 -3 2 -4 123.900 4.56304 9 3 -2 -4 128.923 4.53034 3 -4 2 4 688.797 22.1812 9 4 2 -4 685.607 21.6390 9 4 -2 4 715.358 22.4025 3 4 2 -4 678.624 21.9361 3 4 -2 4 703.380 22.5130 9 4 2 4 691.483 22.0824 3 4 -2 -4 705.424 22.2418 3 -4 2 -4 680.431 22.3188 9 4 2 4 651.186 21.6444 9 -5 2 4 154.140 5.77429 9 -5 -2 -4 170.960 6.09506 9 5 -2 4 157.788 5.76847 9 5 -2 4 157.581 5.98060 3 5 -2 -4 159.037 5.67421 9 -5 2 -4 149.366 5.90392 9 -5 -2 4 151.861 5.84470 9 5 -2 -4 149.652 5.74662 3 6 -2 4 98.4300 4.42053 3 6 -2 4 103.976 4.20868 9 -6 2 4 103.608 4.34249 9 -6 -2 -4 105.782 4.70643 9 6 -2 -4 97.0281 4.28362 3 6 -2 -4 111.663 4.41510 9 -6 -2 4 108.706 4.48235 9 -7 2 4 114.726 4.87390 9 7 -2 4 114.503 5.17205 3 7 2 -4 113.453 5.76576 4 -7 -2 -4 125.009 5.46683 9 -7 2 4 115.747 5.92785 2 7 -2 4 121.429 4.61528 9 7 -2 4 116.977 5.39891 6 -7 2 -4 112.495 5.53401 2 -7 2 -4 116.812 5.13689 9 7 2 4 112.279 5.14564 6 7 -2 -4 117.109 4.46326 9 7 -2 -4 109.205 4.91945 3 -8 2 4 156.132 7.31896 2 -8 -2 -4 149.198 6.65150 9 8 2 -4 152.966 7.11793 4 -8 -2 -4 151.173 7.07411 2 8 2 -4 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53.7495 3.00978 3 -7 3 -4 52.5060 3.44443 2 -7 3 -4 57.4173 3.13403 9 7 -3 -4 54.1971 2.66087 9 7 -3 -4 51.9240 3.56262 2 -8 -3 -4 7.23669 1.61962 2 -8 3 4 8.16512 1.20890 9 8 -3 4 6.73140 1.70411 2 8 3 -4 6.22302 1.26011 6 8 3 -4 6.65622 1.62055 4 -8 3 4 4.18567 1.89235 5 8 -3 4 6.35476 1.10466 9 -8 3 4 7.17934 1.71495 2 -8 3 -4 6.16252 1.18245 7 -8 3 -4 8.46500 1.57041 2 -8 3 -4 6.31831 1.18853 9 8 -3 -4 7.63176 1.09366 9 8 -3 -4 6.93217 1.47772 2 -8 3 -4 3.23201 1.95187 5 8 3 4 6.90216 1.28216 6 -9 -3 -4 259.220 13.1962 2 9 -3 4 272.677 9.03996 9 -9 3 4 271.046 10.9158 2 -9 3 4 285.337 10.0620 9 9 3 -4 258.881 10.0982 6 9 -3 -4 262.931 8.98281 9 9 3 4 278.635 10.3165 6 -9 3 -4 282.003 10.1891 9 -9 3 -4 269.909 10.7394 2 -10 -3 -4 43.8722 3.17381 2 -10 3 4 42.6820 2.54061 9 10 3 -4 44.4486 2.60220 6 -10 3 -4 43.1021 2.55214 9 -10 -3 4 43.5281 3.35529 2 -10 3 -4 45.1295 3.17996 2 10 3 4 42.1867 2.64565 6 11 3 -4 59.2451 2.98031 6 -11 3 -4 71.7125 4.77045 2 -12 -3 -4 13.1179 1.21831 2 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131.730 5.24223 9 6 -4 -4 130.162 5.24555 3 -7 4 4 88.0874 5.27746 5 7 -4 4 90.5770 4.55835 3 7 4 -4 93.1624 4.68566 6 -7 4 4 99.1923 4.23418 9 7 -4 4 99.8296 4.26877 9 -7 -4 -4 95.1715 5.41039 2 -7 4 -4 101.981 4.41622 9 -7 4 -4 78.9451 4.81056 5 7 -4 -4 95.0747 4.42436 3 7 4 4 95.1400 4.63902 6 7 -4 -4 97.4503 4.11868 9 8 -4 4 5.14027 0.98226 9 8 4 -4 7.21783 1.55253 4 -8 -4 -4 8.89509 1.85823 2 -8 4 4 6.46880 1.06024 9 -8 4 4 5.21208 1.52063 2 8 -4 4 9.03298 1.74342 2 8 4 -4 8.45119 1.31903 6 -8 4 4 4.42218 1.49468 5 -8 4 -4 6.54051 1.19424 7 -8 4 -4 6.25309 1.19525 9 8 4 4 6.15380 1.26939 6 8 -4 -4 6.01092 1.16117 9 -8 4 -4 5.84239 1.51586 5 -8 4 -4 5.51715 1.42811 2 9 -4 4 34.7063 1.90019 9 9 -4 4 28.5227 2.25455 2 -9 -4 -4 31.0098 2.59606 2 9 4 -4 31.5617 2.93662 4 9 4 -4 29.7244 2.25780 6 -9 4 4 28.8358 3.21707 5 -9 4 4 30.3036 2.05274 9 -9 -4 4 29.7418 2.99994 2 -9 4 -4 29.7357 2.51711 2 -9 4 -4 28.6236 3.07955 5 -9 4 -4 28.4249 2.11335 9 9 4 4 31.2587 2.34293 6 -10 4 4 7.09545 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8.89087 7 7 -5 -4 248.274 8.84175 9 -7 5 -4 246.491 8.88706 9 8 -5 4 155.175 6.23209 9 -8 5 4 160.683 6.18599 9 8 5 4 154.408 7.15890 6 8 -5 -4 154.137 6.06876 9 -8 5 -4 155.080 6.25442 9 9 -5 4 81.7805 4.15365 2 -9 5 4 82.2700 3.90756 9 9 5 -4 90.0293 4.33461 6 9 -5 4 85.5263 3.71773 9 -9 5 4 88.1830 5.07664 5 9 5 -4 89.1001 4.81741 4 -9 -5 -4 86.3420 4.60735 2 -9 -5 4 86.8525 4.82687 2 9 5 4 87.1231 4.57505 8 9 -5 -4 89.8305 3.70699 9 9 5 4 93.1169 4.53975 6 -9 5 -4 92.5600 4.65951 2 -9 5 -4 84.0815 4.72498 5 -10 -5 -4 11.7096 1.92132 2 10 5 -4 12.5545 1.38072 6 -10 5 4 14.0235 1.18074 9 -10 5 -4 13.1076 1.73814 2 -10 5 -4 13.4404 1.87076 5 10 5 4 13.1642 1.46915 6 -10 -5 4 10.3091 2.03042 2 -10 5 -4 12.7760 1.52008 9 10 5 4 14.3773 2.00442 8 11 5 -4 55.1195 3.31853 6 -11 5 4 42.5238 2.36245 2 -11 -5 -4 41.8142 2.52878 2 -11 5 -4 56.0389 2.93435 2 -11 5 -4 45.5020 2.73063 5 11 5 4 45.4301 2.52810 6 0 6 4 2755.17 87.9631 1 0 -6 4 2776.25 88.6342 1 -1 -6 -4 141.151 4.77245 3 -1 6 4 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7.13380 7 5 -6 -4 188.995 7.12827 9 6 6 -4 34.7211 2.95856 4 6 -6 4 36.3998 2.49195 9 6 6 -4 37.3686 2.81261 6 -6 6 4 39.2065 2.11679 9 6 -6 4 36.9684 2.52940 3 6 -6 4 36.3255 2.84368 2 -6 6 -4 40.0839 2.39349 7 -6 6 -4 38.2029 2.21620 9 6 -6 -4 37.9774 2.37064 3 6 -6 -4 38.2229 3.22922 2 6 6 4 35.4007 2.44772 6 6 -6 -4 39.5848 2.41339 9 -7 6 4 174.056 8.05797 5 7 6 -4 180.399 7.86667 4 7 6 -4 177.288 7.50098 6 7 -6 4 171.718 7.29952 3 -7 6 4 176.410 7.49535 2 7 -6 4 173.340 7.54850 2 -7 6 -4 177.500 6.99218 7 7 -6 -4 175.307 7.11488 3 -7 6 -4 173.569 7.31829 2 7 -6 -4 174.989 7.96672 2 7 6 4 178.241 7.32429 6 -7 6 -4 171.489 7.68544 5 -8 6 4 105.768 5.27744 2 8 -6 4 109.982 4.78547 9 -8 6 4 108.391 4.45882 9 -8 -6 -4 102.736 5.35402 2 8 6 -4 106.773 5.23166 6 -8 6 4 102.649 5.79188 5 8 -6 4 105.653 5.22974 2 8 6 -4 108.350 5.69718 4 8 6 4 109.291 5.07438 6 -8 6 -4 99.2995 5.37321 5 8 -6 -4 106.026 4.60598 9 -8 6 -4 102.490 4.93793 2 8 6 4 100.430 5.24484 8 -8 6 -4 107.464 4.57396 9 8 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158.256 5.42536 9 3 7 4 168.821 5.97591 7 3 -7 -4 163.869 6.21377 9 4 7 -4 102.446 3.89165 7 4 -7 4 113.849 4.69978 3 -4 7 4 108.562 4.27748 7 -4 7 4 111.152 3.93433 9 4 -7 4 107.950 4.62895 9 4 -7 -4 115.646 4.62931 9 4 -7 -4 113.147 4.56052 3 -4 7 -4 110.753 4.00432 9 -4 7 -4 109.981 4.56705 7 -5 7 4 140.424 4.92245 9 5 -7 4 130.649 5.55483 9 5 -7 4 140.491 5.74151 3 5 -7 -4 128.390 5.46000 9 -5 7 -4 137.467 5.48665 7 -5 7 -4 133.692 4.96900 9 5 -7 -4 133.659 5.52662 3 6 -7 4 160.817 7.07029 2 6 7 -4 162.096 7.02817 6 -6 7 4 167.790 5.83834 9 6 -7 4 159.011 6.66879 3 6 -7 4 162.157 6.58151 9 6 -7 -4 157.415 6.33460 9 -6 7 -4 155.668 6.34171 7 -6 7 -4 162.410 5.89265 9 6 -7 -4 155.012 7.36841 2 -6 7 -4 133.540 6.61916 2 6 7 4 162.609 7.05948 8 6 -7 -4 165.005 6.50516 3 7 -7 4 60.8840 3.44994 9 -7 7 4 62.4310 2.83810 9 7 7 -4 59.8906 3.90075 4 7 -7 4 59.8453 3.75048 3 7 7 -4 64.3284 3.91453 6 7 -7 4 60.3881 3.91345 2 -7 7 4 58.3048 4.09127 5 -7 7 -4 55.9845 3.19150 7 -7 7 -4 60.9641 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0.66316 7 5 -8 4 3.53671 0.98354 9 -5 8 -4 2.50890 0.46697 9 5 -8 -4 2.31886 0.68544 3 5 -8 -4 2.02702 1.00625 2 -5 8 -4 2.00205 0.82569 5 -5 8 -4 2.12009 0.67773 7 5 -8 -4 3.04853 0.86897 9 5 8 4 2.34590 0.86754 6 5 8 4 3.37008 1.13394 8 -5 8 -4 2.90776 0.86816 8 6 -8 4 69.1777 3.75810 3 -6 8 4 69.2158 2.71827 9 6 8 -4 68.8498 4.01018 6 -6 8 4 63.6818 3.79630 8 6 8 -4 68.1493 4.13508 4 6 -8 4 69.3580 4.16108 2 6 -8 4 69.6863 3.65465 9 -6 8 4 71.6474 4.50688 5 6 -8 -4 69.3373 3.52173 9 -6 8 -4 68.0754 3.50728 7 6 8 4 68.9964 4.04223 8 6 -8 -4 69.0768 4.58962 2 6 8 4 68.4322 3.83183 6 -6 8 -4 74.9847 4.13038 8 -6 8 -4 69.7195 4.15749 5 6 -8 -4 65.8695 3.60860 3 -6 8 -4 70.7129 2.83159 9 7 -8 4 369.377 13.6550 2 7 8 -4 369.356 13.6079 6 7 -8 4 344.136 13.2765 3 -7 8 4 356.659 11.7817 9 7 -8 4 367.252 12.9917 9 -7 8 -4 358.450 12.9536 7 -7 8 -4 351.107 11.8336 9 7 8 4 362.643 13.1965 6 7 -8 -4 349.391 13.8374 2 7 -8 -4 364.014 12.7846 9 -8 8 4 39.5333 3.54567 5 8 -8 4 38.9053 3.05097 2 -8 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5 6 9 -4 59.5782 3.98842 4 6 -9 4 53.2247 3.71145 2 -6 9 -4 55.4349 3.25911 7 -6 9 -4 58.1658 3.56323 5 -6 9 -4 54.6298 3.46717 8 6 -9 -4 57.4784 3.25710 9 6 9 4 55.7290 3.60190 8 6 9 4 55.4276 3.41932 6 6 -9 -4 59.3352 3.34108 3 6 -9 -4 54.4848 4.12066 2 7 -9 4 78.9106 4.49833 2 -7 9 4 78.3684 4.61356 5 7 -9 4 75.7038 4.03679 9 7 9 -4 76.5587 4.28559 6 7 9 -4 76.0513 4.45613 4 7 9 4 74.6815 4.25973 8 7 9 4 74.8115 4.10240 6 7 -9 -4 70.9634 3.71314 9 -7 9 -4 77.4030 4.33262 5 7 -9 -4 74.8716 4.75057 2 8 9 -4 25.1907 2.19150 6 8 -9 4 25.2340 2.24361 2 8 -9 4 22.6154 1.91260 9 -8 9 4 25.4701 2.84210 5 8 9 4 22.1152 2.03097 8 8 9 4 24.1243 2.17579 6 8 -9 -4 23.3773 1.83058 9 9 -9 4 12.9634 1.76670 2 9 9 -4 10.2348 1.64159 6 9 9 -4 10.1266 1.45100 4 -9 9 4 11.7960 2.09008 5 9 9 4 10.1977 1.33257 6 -9 9 -4 10.1639 1.60222 5 9 9 4 9.85830 1.18513 8 10 9 -4 56.0688 2.75824 6 10 -9 -4 61.9737 2.96864 2 10 9 4 57.6606 2.77689 6 -10 9 -4 54.2400 2.97939 5 0 -10 -4 151.001 5.29414 3 0 10 4 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52.9077 3.30872 8 4 10 4 54.5847 3.60897 8 4 10 4 48.7083 3.11238 6 -4 10 -4 50.5252 3.13035 5 4 -10 -4 49.4860 2.94101 9 5 -10 4 135.182 5.92813 3 5 -10 4 131.376 5.84232 9 -5 10 4 132.052 5.46895 7 5 -10 4 136.568 6.41996 2 5 10 -4 134.242 6.55463 4 -5 10 4 132.056 6.10534 8 5 10 -4 128.513 6.26792 6 -5 10 4 139.282 6.42432 5 5 10 4 137.001 6.35419 8 -5 10 -4 131.180 6.24171 8 5 10 4 132.161 5.93202 6 -5 10 -4 136.207 5.99919 5 -5 10 -4 126.222 5.75049 7 5 -10 -4 137.830 5.70927 3 5 -10 -4 132.945 5.77756 9 5 -10 -4 134.080 6.80983 2 6 -10 4 6.73201 1.31880 9 6 -10 4 5.74538 1.48351 2 6 -10 4 5.08556 1.41502 3 -6 10 4 6.56998 1.67573 5 6 10 -4 6.78477 1.40424 6 -6 10 4 6.24210 1.30478 8 6 10 -4 6.30955 1.56909 4 6 -10 -4 7.17015 1.84054 2 -6 10 -4 7.73093 1.56426 5 6 10 4 4.88995 1.14962 8 -6 10 -4 6.12170 1.10429 7 6 -10 -4 5.81412 1.17567 9 6 10 4 4.79442 1.04585 6 6 -10 -4 3.68297 1.29503 3 -6 10 -4 6.93668 1.43117 8 7 10 -4 72.1401 4.14318 6 -7 10 4 73.1063 4.27978 5 7 -10 4 68.8198 4.08624 2 7 -10 4 77.5402 4.06803 9 7 10 -4 72.7142 4.28705 4 -7 10 -4 74.8124 4.24962 5 7 10 4 73.3347 3.84386 6 7 10 4 73.2804 4.20504 8 8 10 -4 61.2500 3.53124 6 -8 10 4 59.1044 3.58695 5 8 -10 4 54.4235 3.03610 9 8 -10 4 59.2787 3.59881 2 8 10 -4 59.5831 3.65636 4 8 -10 -4 56.9665 3.08445 9 8 10 4 51.4851 3.22685 8 8 10 4 57.5527 3.17566 6 -8 10 -4 58.2314 3.41833 5 9 -10 4 48.1757 2.71144 2 9 10 -4 46.8517 2.69358 6 9 10 -4 42.8617 2.69099 4 -9 10 -4 49.7293 3.04009 5 9 10 4 47.6587 2.70697 6 -9 10 -4 44.3391 2.82345 4 10 -10 -4 12.6189 1.34262 2 -10 10 -4 15.4987 1.40175 5 10 10 4 16.0338 1.20524 6 0 11 4 45.5919 2.59621 7 0 11 -4 46.7117 2.66290 7 0 11 -4 44.1167 3.27576 4 0 -11 -4 44.0260 1.96746 3 0 11 4 48.9343 3.16350 8 0 -11 4 42.6196 2.12099 3 -1 -11 -4 159.406 5.55910 3 -1 11 4 165.384 7.26496 8 -1 11 4 168.737 6.48490 7 1 11 -4 166.324 7.61942 4 1 11 -4 169.016 6.44839 7 1 -11 4 166.494 6.19346 3 1 11 4 168.512 6.46175 7 1 -11 -4 165.777 5.98733 3 1 11 4 164.434 7.23485 8 -1 11 -4 171.809 6.60025 7 -1 -11 4 161.898 5.73131 3 -1 11 -4 162.088 7.54030 4 -2 11 4 0.73761 0.84300 8 2 11 -4 2.69734 0.86350 6 2 11 -4 2.20205 0.77947 7 2 11 -4 1.78248 0.88883 4 -2 11 4 2.21216 0.91887 5 -2 11 -4 2.07102 1.01525 4 2 11 4 0.51323 0.79772 7 -2 11 -4 1.85003 0.73556 5 -2 11 -4 1.65325 0.94945 7 2 11 4 1.28491 0.67157 8 -2 11 -4 0.71761 0.65426 8 3 11 -4 96.6901 5.05579 6 -3 11 4 95.4108 4.33513 7 3 11 -4 93.0856 4.07788 7 -3 11 4 99.3944 4.70078 5 3 11 -4 97.5885 5.33413 4 3 -11 4 100.692 4.53287 3 -3 11 4 103.196 5.06868 8 3 -11 4 95.6481 5.01165 2 -3 11 -4 102.069 4.64818 7 -3 11 -4 98.1596 4.39811 5 3 11 4 103.128 4.41033 7 3 -11 -4 95.2368 5.42796 2 3 11 4 99.5428 5.14140 8 -3 11 -4 100.026 5.49488 4 -3 11 -4 98.1040 4.90984 8 3 -11 -4 99.8201 4.29571 3 4 -11 4 21.8882 2.56374 2 4 -11 4 23.8261 2.03516 3 4 11 -4 23.6382 2.51929 6 -4 11 4 23.0850 2.00794 7 -4 11 4 22.0602 2.44406 5 -4 11 4 21.0267 2.12234 8 4 11 -4 21.3263 2.61834 4 -4 11 -4 23.5337 1.95500 5 -4 11 -4 22.4657 1.89143 7 4 -11 -4 20.3713 2.82610 2 4 11 4 19.0880 2.09466 6 4 -11 -4 25.0387 1.80222 3 4 11 4 19.1160 2.12942 8 -4 11 -4 24.6133 2.30721 8 -5 11 4 142.634 6.05418 7 5 -11 4 140.546 6.36282 3 5 11 -4 154.550 7.46821 6 5 -11 4 138.770 6.44883 9 -5 11 4 140.695 8.54645 8 -5 11 4 167.747 7.44825 5 5 11 -4 162.087 8.30294 4 -5 11 -4 143.403 7.41128 8 -5 11 -4 172.885 7.15251 5 -5 11 -4 143.025 6.31845 7 5 -11 -4 142.562 6.33641 9 -6 11 4 80.2270 4.37658 5 6 -11 4 83.1546 4.63261 2 6 11 -4 82.6212 4.76973 4 -6 11 4 74.0620 4.09290 8 6 -11 4 77.3193 4.23633 9 6 11 -4 78.1629 4.42791 6 6 -11 -4 74.7987 3.91537 9 -6 11 -4 80.5730 4.31258 5 6 11 4 80.3311 4.04778 6 -6 11 -4 81.0788 4.36786 8 6 -11 -4 73.2795 4.64283 2 6 11 4 82.1825 4.40668 8 7 -11 4 3.56465 1.19303 9 7 11 -4 5.53006 1.47799 4 7 11 -4 4.16570 1.09288 6 7 11 4 2.17001 1.03363 8 7 -11 -4 4.01595 1.11431 9 -8 11 4 42.7660 2.86080 5 8 11 -4 42.0596 2.72406 6 8 11 -4 40.9672 2.74700 4 8 -11 4 43.0504 2.93967 2 -8 11 -4 42.2190 2.90612 4 8 11 4 40.3388 2.46105 6 -8 11 -4 44.4347 2.73753 5 8 11 4 41.6636 3.11509 8 9 -11 4 51.3663 2.60170 2 9 11 -4 46.4041 2.58933 4 9 11 -4 52.0243 2.64209 6 -9 11 -4 41.4875 2.47927 4 -9 11 -4 42.4439 2.52002 5 9 11 4 47.1745 2.42589 6 10 11 -4 23.7837 1.36472 6 0 12 4 184.207 8.66566 4 0 12 4 164.886 6.56547 7 0 12 -4 160.637 7.53595 6 0 12 -4 166.489 6.64291 7 0 12 -4 160.161 7.74447 4 0 12 -4 158.837 6.99595 8 0 12 4 170.434 7.42028 8 1 12 -4 5.81620 1.40099 4 1 12 -4 5.18660 1.13143 6 -1 12 4 6.84801 1.50081 4 -1 12 4 5.69451 1.25861 8 1 12 -4 8.22239 1.91735 8 1 -12 4 6.61719 1.02884 3 -1 12 4 7.45782 1.15233 7 1 12 -4 5.84261 1.09312 7 -1 12 -4 5.78930 1.23482 7 1 12 4 8.52466 1.34431 7 -1 12 -4 8.81946 1.93113 4 1 -12 -4 6.98219 0.87220 3 1 12 4 7.14662 1.62730 4 1 12 4 3.86992 1.18203 8 -1 12 -4 7.04795 1.32733 8 2 -12 4 1036.45 32.6456 3 2 12 -4 949.704 33.1013 8 -2 12 4 1010.70 32.7913 7 2 12 -4 990.621 33.6537 6 2 12 -4 985.928 32.5548 7 2 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8.66920 6 5 -5 -10 211.380 8.05262 3 5 -5 -10 214.262 7.83746 9 -6 5 10 157.695 7.94993 5 6 5 -10 160.256 7.03232 6 -6 5 10 159.028 7.30079 2 6 -5 10 153.428 7.02135 3 6 5 -10 172.023 7.77505 4 -6 5 10 174.633 6.28780 9 -6 -5 -10 162.333 7.26756 2 6 -5 10 168.933 6.70602 9 -6 5 -10 163.049 6.87139 2 6 -5 -10 156.389 6.70454 3 -6 5 -10 163.573 7.41771 5 6 -5 -10 164.636 6.37717 9 6 5 10 169.939 6.79586 6 -6 5 -10 166.850 6.55327 9 6 -5 -10 161.344 7.67781 2 7 5 -10 85.2187 4.39457 6 7 5 -10 84.4311 4.94783 4 -7 5 10 93.4891 5.76868 5 7 -5 10 83.2107 3.98187 9 -7 5 10 85.0228 4.71111 2 -7 5 10 93.5101 3.88324 9 -7 -5 -10 85.1028 4.58140 2 -7 5 -10 83.6602 4.05735 9 7 -5 -10 85.0076 5.05646 2 7 5 10 87.3346 4.24398 6 7 -5 -10 84.9540 3.85163 9 -7 5 -10 80.9172 4.65409 5 -7 5 -10 82.2849 4.25524 2 -8 -5 -10 45.6915 3.57611 2 8 -5 10 54.5280 2.67906 9 -8 5 10 58.2064 2.75990 9 8 5 -10 54.1958 3.90706 4 -8 5 10 48.5030 4.22133 5 -8 5 10 59.1205 3.62899 2 8 5 -10 52.4885 3.02190 6 -8 5 -10 55.2469 3.78991 5 8 -5 -10 55.8460 3.47012 2 -8 5 -10 56.7528 3.15737 2 -8 5 -10 59.1423 2.98484 9 8 -5 -10 55.7064 2.65376 9 -9 -5 -10 33.2422 2.61486 2 -9 5 -10 27.7230 3.83333 5 9 5 10 34.5300 2.54672 8 -9 5 -10 44.2340 3.27373 2 -10 5 10 6.31627 1.28567 5 -10 -5 -10 8.61711 1.38562 2 -10 -5 10 6.84542 1.22396 2 10 5 10 9.03118 1.10453 8 -10 5 -10 11.6346 1.64883 5 0 6 -10 226.035 8.19489 7 0 -6 -10 226.967 8.34711 9 0 -6 10 239.685 8.50565 9 0 -6 -10 239.803 8.29095 3 1 -6 10 54.9962 2.78055 9 -1 -6 -10 55.1025 2.74970 9 1 6 -10 57.5350 2.53869 7 -1 -6 -10 62.7038 2.76932 3 1 -6 -10 60.1348 2.78606 3 1 -6 -10 56.1227 2.77287 9 -1 6 -10 59.3952 2.76866 7 -1 6 -10 52.6910 1.92528 9 -1 -6 10 57.1595 2.86779 9 2 -6 10 824.883 27.4269 9 -2 -6 -10 849.369 27.2005 3 2 -6 -10 849.358 27.3003 3 2 -6 -10 829.479 27.2704 9 3 -6 10 3.73269 0.83079 9 -3 -6 -10 3.47707 0.69883 3 3 -6 10 3.31452 0.81359 3 -3 6 10 2.80593 0.54917 9 -3 6 -10 2.33525 0.60518 9 3 -6 -10 3.18862 0.80487 3 3 -6 -10 2.57140 0.79496 9 4 6 -10 307.661 12.2265 6 4 -6 10 317.621 11.7080 9 -4 6 10 330.065 10.8993 9 4 -6 -10 324.632 11.4368 9 -4 6 -10 321.723 11.0973 9 4 -6 -10 328.138 11.6387 3 4 6 10 340.936 11.9264 5 5 -6 10 255.319 9.82695 3 -5 -6 -10 236.011 9.84802 2 5 6 -10 254.704 10.3692 4 -5 6 10 245.850 10.5413 5 5 -6 10 262.042 9.63688 9 -5 6 10 235.768 9.66304 2 5 -6 10 240.772 9.77876 2 5 6 -10 253.624 10.0952 6 -5 6 -10 245.924 9.92500 5 5 -6 -10 265.450 9.32656 9 5 6 10 254.331 9.37393 6 -5 6 -10 238.883 9.38922 2 5 -6 -10 257.350 9.46031 3 5 -6 -10 252.665 10.6981 2 5 6 10 249.702 9.22472 5 6 6 -10 339.184 13.8612 4 6 -6 10 374.402 13.9400 2 6 -6 10 347.680 13.2815 3 -6 6 10 356.101 11.9670 9 6 -6 10 360.586 12.7993 9 6 -6 -10 369.342 14.1280 2 6 -6 -10 356.319 12.4413 9 -6 6 -10 351.621 12.2027 9 6 -6 -10 334.230 12.7488 3 -6 6 -10 360.629 14.0516 5 -6 6 -10 344.751 12.8304 7 -7 -6 -10 274.994 10.8602 2 7 -6 10 285.416 10.3440 9 7 6 -10 279.812 11.3672 4 -7 6 10 268.370 10.4663 2 7 6 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26.9453 2 5 7 -10 821.467 27.6936 4 5 -7 10 774.906 27.0288 2 5 7 -10 810.324 27.3380 6 5 -7 10 811.378 26.6988 9 5 -7 10 800.358 27.0099 3 -5 7 10 801.930 25.3791 9 -5 7 10 790.752 27.8414 5 5 7 10 800.143 27.4236 8 5 -7 -10 782.228 26.2756 9 5 -7 -10 809.681 26.5769 3 5 -7 -10 813.430 28.0670 2 -5 7 -10 800.618 26.6608 7 5 7 10 783.369 26.3699 6 -5 7 -10 802.249 27.1476 5 -5 7 -10 788.933 25.5330 9 5 7 10 792.250 26.0565 5 -6 7 10 118.948 4.47216 9 6 7 -10 130.294 6.39654 4 6 -7 10 125.774 5.66622 9 -6 7 10 121.251 6.48980 5 6 7 -10 120.905 5.95556 6 6 -7 10 119.345 5.77459 2 -6 -7 -10 117.368 5.83655 2 -6 7 -10 116.792 4.58356 9 6 -7 -10 132.951 6.79475 2 -6 7 -10 126.964 6.12046 5 6 7 10 128.816 5.52303 6 6 -7 -10 132.024 5.38264 9 6 7 10 120.953 4.90097 5 6 7 10 128.029 6.18751 8 7 -7 10 162.191 6.61726 9 7 7 -10 176.550 7.78399 4 7 7 -10 166.622 7.04497 6 -7 7 10 159.001 7.68636 5 -7 7 10 153.213 5.52601 9 -7 7 -10 171.831 7.25345 5 7 7 10 166.534 7.40181 8 -7 7 -10 150.923 5.64537 9 7 -7 -10 157.880 6.31482 9 7 -7 -10 167.507 7.71846 2 7 7 10 165.751 6.60686 6 -8 7 10 175.152 8.05377 5 8 7 -10 185.393 7.29949 6 -8 -7 -10 189.301 7.68959 2 8 7 -10 201.792 8.30890 4 8 -7 -10 183.995 7.64379 2 8 7 10 192.639 7.94287 8 -8 7 -10 183.801 7.71352 5 -9 -7 -10 25.4579 2.12448 2 -9 7 10 25.0525 2.38120 5 9 7 -10 22.4622 1.50842 6 9 7 -10 28.9980 2.47380 4 9 7 10 25.3159 2.01810 8 9 -7 -10 20.7066 1.82450 2 -9 7 -10 25.8640 2.12007 5 -9 -7 10 26.7491 2.16501 2 -10 -7 -10 29.9296 1.74398 2 -10 -7 10 31.6152 1.95605 2 10 7 10 28.5227 1.66717 8 0 8 -10 740.521 25.4384 5 0 -8 -10 790.543 25.1171 3 0 8 -10 810.021 25.2579 7 0 8 10 737.947 25.7112 5 1 8 -10 4.77518 1.05890 5 1 -8 10 7.21764 1.47117 9 1 8 -10 6.76740 1.08658 7 -1 8 10 3.35872 1.11375 5 1 8 -10 4.79735 1.39651 4 -1 -8 -10 5.10102 0.95306 3 1 8 10 3.74406 0.94831 8 -1 8 -10 4.11147 0.89492 7 -1 8 -10 5.36263 1.08623 5 1 8 10 5.25457 1.17011 5 1 -8 -10 3.57320 1.05524 9 1 -8 -10 4.72308 0.86003 3 2 -8 10 43.8163 2.82183 9 -2 8 10 41.1872 2.25465 7 2 8 -10 41.3621 2.67920 5 2 -8 10 44.3684 2.68775 3 2 8 -10 45.6887 3.19721 4 2 -8 10 39.9910 3.00688 2 2 -8 -10 44.5452 2.66676 9 2 -8 -10 43.5660 3.49120 2 2 -8 -10 43.0400 2.45039 3 2 8 10 46.4142 3.75135 8 2 8 10 42.4893 2.62198 5 3 8 -10 362.645 13.4915 6 3 -8 10 359.452 12.7957 3 3 8 -10 348.835 12.4460 5 -3 -8 -10 346.190 12.1857 3 3 -8 10 349.741 12.6496 9 3 8 -10 369.663 13.7459 4 3 -8 10 338.230 13.0309 2 -3 8 10 340.940 13.2987 5 3 8 10 344.258 12.2261 5 -3 8 -10 347.296 12.8343 5 3 -8 -10 342.481 13.7414 2 3 -8 -10 356.131 12.4247 9 3 -8 -10 358.151 12.4238 3 3 8 10 355.414 13.4305 8 -3 8 -10 362.365 12.6572 7 4 -8 10 624.639 21.9119 9 4 -8 10 631.201 22.2886 2 4 -8 10 661.782 22.1671 3 -4 8 10 634.099 22.7668 5 4 8 -10 665.906 22.9293 4 4 8 -10 639.431 22.5677 6 -4 8 -10 644.976 21.8392 7 4 8 10 657.723 22.6740 8 4 -8 -10 648.338 21.6833 3 4 8 10 614.271 21.1374 5 -4 8 -10 644.230 22.1889 5 4 -8 -10 659.294 23.2618 2 5 8 -10 100.683 5.40934 6 -5 8 10 108.796 5.98368 5 5 -8 10 104.703 5.35509 2 5 -8 10 106.394 5.29609 3 5 8 -10 104.074 5.69865 4 5 -8 10 105.685 4.96231 9 5 -8 -10 100.061 4.84806 3 5 8 10 106.209 5.62006 8 5 -8 -10 105.514 5.90019 2 5 -8 -10 102.532 4.63923 9 -5 8 -10 95.6889 4.80436 7 -5 8 -10 108.941 5.43621 5 -6 8 10 134.157 6.71329 5 6 8 -10 141.142 6.39472 6 -6 -8 -10 127.261 6.06846 2 6 -8 10 134.590 5.87216 9 6 -8 10 130.041 6.16280 2 6 8 -10 141.031 6.70078 4 6 8 10 133.486 6.45193 8 6 8 10 123.055 5.47942 6 6 -8 -10 134.013 6.78960 2 6 -8 -10 137.599 5.63984 9 -6 8 -10 130.467 6.16218 5 -7 8 10 5.62481 1.91563 5 7 8 -10 7.73277 1.40541 6 -7 -8 -10 7.81874 1.62822 2 7 -8 10 6.15589 1.25752 9 7 -8 -10 6.68815 1.36316 9 7 8 10 6.48154 1.09164 6 7 8 10 5.19357 1.36065 8 -7 8 -10 7.47144 1.51424 5 8 8 -10 79.4204 3.82187 6 -8 8 10 78.0975 4.44100 5 8 8 -10 83.0173 4.44989 4 -8 -8 -10 86.0356 4.18608 2 8 8 10 85.1018 4.42583 8 -8 8 -10 81.7173 4.16566 5 8 -8 -10 69.6935 3.43472 9 8 -8 -10 82.7171 4.34921 2 -9 -8 -10 22.8450 2.43699 2 -9 8 10 26.4847 2.15500 5 9 8 -10 27.7003 2.10913 4 -9 8 -10 27.5210 1.98953 5 9 -8 -10 21.3165 1.60881 2 9 8 10 24.7161 1.87762 8 -9 -8 10 30.0878 2.38229 2 -10 8 10 10.4746 1.20626 5 -10 8 -10 10.1262 1.04267 5 0 9 10 10.7962 2.42236 8 0 -9 -10 13.1329 1.27364 3 0 -9 -10 10.3333 1.91379 2 0 9 10 12.0965 1.88780 5 0 9 -10 13.8859 1.61870 5 0 9 -10 12.3523 1.56998 7 1 9 -10 21.3251 2.40837 4 1 -9 10 17.6730 1.56043 3 -1 9 10 17.6153 1.83385 5 -1 -9 -10 17.8222 1.44141 3 -1 9 10 20.0886 1.62806 7 1 9 -10 15.8384 1.62405 5 1 -9 -10 19.0449 1.53661 3 1 9 10 20.1949 2.22380 8 -1 9 -10 17.7045 1.62505 7 -1 9 -10 17.8781 1.75182 5 1 -9 -10 25.0908 2.94446 2 1 9 10 19.8444 2.04885 5 -2 -9 -10 65.1582 3.04162 3 -2 9 10 64.7724 2.98928 7 2 -9 10 65.2155 3.89421 2 2 9 -10 66.7251 4.09240 4 -2 9 10 63.5738 3.83984 5 2 -9 10 62.8143 3.42313 9 2 9 -10 61.6055 3.22965 5 2 -9 10 65.9515 3.51457 3 2 9 -10 68.4373 4.10367 6 -2 9 10 60.1529 3.61372 8 -2 9 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7.95933 2 6 -5 12 191.327 7.42431 9 -6 5 -12 179.901 7.50688 2 6 5 12 189.325 7.45043 5 6 -5 -12 186.436 8.35328 2 6 -5 -12 191.358 7.10940 9 -6 5 -12 184.853 7.12713 9 -6 5 -12 187.973 8.16571 5 7 -5 12 14.6826 1.62980 9 7 5 -12 10.3130 1.62533 6 7 5 -12 13.1458 2.16562 4 -7 5 12 16.6557 1.39189 9 -7 5 -12 13.1869 1.51407 9 7 -5 -12 14.3723 1.47726 9 7 5 12 9.37367 1.68258 5 -7 5 -12 10.8185 2.52274 2 -8 5 12 137.608 5.65285 2 -8 5 12 140.570 6.71609 5 -8 -5 -12 144.106 6.23940 2 8 5 -12 137.258 6.38780 4 8 5 12 147.479 6.43659 8 -8 5 -12 138.120 6.15991 5 -8 5 -12 135.634 5.52352 2 -8 5 -12 119.734 5.32889 9 8 5 12 139.738 5.25724 5 -9 -5 -12 174.250 6.83445 2 -9 5 12 171.431 7.20572 5 -9 5 -12 168.134 6.83333 5 9 5 12 171.728 6.91673 8 -10 -5 -12 8.95778 1.01331 2 -10 5 12 5.55975 1.18341 5 -10 -5 12 8.32403 1.11502 2 -10 5 -12 8.23585 1.31634 5 10 5 12 7.22127 0.90547 8 0 -6 -12 44.7287 2.75469 3 0 -6 12 39.4758 2.39817 9 0 6 -12 41.1660 2.29373 7 0 6 12 39.3403 2.78728 5 0 -6 -12 43.0759 3.58370 2 0 6 -12 40.9194 2.72780 5 0 -6 -12 43.3980 2.53571 9 -1 -6 -12 6.78162 1.22674 9 -1 -6 -12 6.72161 1.65875 2 1 6 -12 7.88580 1.61375 5 -1 6 12 6.39935 1.55936 5 1 -6 12 8.75873 1.35693 9 1 -6 -12 8.35119 1.06712 9 -1 6 -12 8.33545 1.24427 7 -1 6 -12 8.33576 1.30060 5 1 -6 -12 6.56521 1.61641 2 -1 -6 12 6.56268 1.33192 9 1 6 12 6.25084 1.21105 5 2 6 -12 1.49294 0.77305 6 2 6 -12 1.47118 1.11116 4 -2 -6 -12 2.27930 0.81195 3 -2 -6 -12 5.62527 1.19690 9 -2 6 12 4.22791 1.25978 5 -2 -6 -12 2.90796 0.91347 2 2 6 -12 2.01989 0.90838 5 2 -6 12 4.49720 1.04381 9 -2 6 12 1.54125 0.38375 9 2 -6 -12 2.62009 0.85238 3 -2 6 -12 2.32618 0.48105 9 2 6 12 2.78868 0.97229 5 -2 -6 12 1.10495 0.88548 9 2 -6 -12 2.59267 0.70386 9 3 6 -12 10.6082 1.89499 5 -3 6 12 10.8694 1.96539 5 3 6 -12 12.5002 1.76416 4 3 6 -12 10.2299 1.67850 6 -3 6 12 11.5951 0.97902 9 -3 -6 -12 12.4826 2.04706 2 3 -6 12 13.0528 1.52806 3 -3 -6 -12 13.5758 1.58803 3 3 -6 12 12.3078 1.73417 9 3 -6 -12 14.0646 2.45749 2 -3 6 -12 10.8618 1.20346 9 -3 6 -12 14.1301 2.12040 5 3 -6 -12 13.1567 1.63262 3 3 -6 -12 14.6268 1.44904 9 3 6 12 16.3213 2.13294 8 3 6 12 11.6335 1.55635 5 4 6 -12 927.834 31.2813 4 4 6 -12 895.181 30.9211 6 4 -6 12 928.641 30.4217 9 4 -6 12 917.126 30.7442 3 4 6 -12 910.509 30.7285 5 -4 -6 -12 895.151 30.9487 2 -4 6 12 908.491 31.6202 5 4 -6 -12 934.426 31.8081 2 -4 6 -12 931.788 29.5676 9 -4 6 -12 923.401 30.9793 5 4 6 12 911.260 30.2954 5 4 6 12 908.284 31.1313 8 4 -6 -12 946.528 30.1142 9 -5 6 12 503.045 16.0987 9 5 6 -12 507.469 18.0493 4 -5 -6 -12 495.112 17.7452 2 5 -6 12 515.297 17.1648 9 -5 6 12 490.211 18.4614 5 5 6 -12 459.874 17.3992 6 5 -6 12 474.949 17.5130 3 -5 6 -12 478.251 17.1806 7 5 6 12 500.700 16.9483 5 5 -6 -12 488.779 16.7160 9 5 -6 -12 501.120 18.3763 2 -5 6 -12 498.394 17.6777 5 5 -6 -12 443.646 17.0272 3 -5 6 -12 506.627 16.3290 9 6 -6 12 237.043 9.11782 9 -6 6 12 214.279 8.94073 2 -6 -6 -12 252.451 9.83702 2 -6 6 12 243.628 10.4205 5 6 6 -12 243.688 10.0483 4 6 6 -12 236.850 9.40812 6 -6 6 -12 219.419 8.85167 2 6 6 12 248.488 8.94069 5 6 -6 -12 251.532 10.3990 2 6 -6 -12 247.503 8.85516 9 -6 6 -12 241.315 9.80941 5 -7 6 12 4.47289 1.42428 5 -7 6 12 5.75931 1.77502 2 -7 6 12 5.22334 1.02891 9 -7 -6 -12 6.27202 1.39877 2 7 6 -12 5.49554 1.10097 6 7 -6 12 3.94094 0.98323 9 7 6 -12 5.58752 1.45292 4 7 -6 -12 7.36730 1.66087 2 7 6 12 3.90512 0.85225 5 -7 6 -12 4.48312 1.09890 2 7 -6 -12 4.82502 0.91464 9 -7 6 -12 5.76037 1.29084 5 -7 6 -12 4.93951 0.99433 9 -8 6 12 38.3145 3.06203 5 8 6 -12 38.0299 3.02318 4 -8 -6 -12 38.8609 2.64152 2 -8 6 -12 40.9336 2.76148 5 8 6 12 41.8740 2.85611 8 -9 6 12 122.629 5.56960 5 -9 -6 -12 124.878 5.17855 2 9 6 12 124.756 5.38808 8 -9 6 -12 126.539 5.35054 5 -10 -6 -12 30.4929 1.60048 2 -10 6 12 22.5647 1.70422 5 -10 -6 12 31.3972 1.70030 2 10 6 12 24.8502 1.49021 8 0 7 -12 114.916 4.74160 7 0 7 12 109.226 5.31210 8 0 7 -12 113.657 5.22974 5 0 7 12 111.157 5.30965 5 0 7 -12 103.037 5.40588 4 0 -7 -12 115.474 4.81348 3 0 -7 -12 113.185 4.85924 9 0 -7 12 120.983 5.09346 9 -1 -7 -12 49.2697 3.00668 9 1 7 -12 48.1943 3.11975 5 -1 7 12 48.8833 3.46864 5 -1 -7 -12 52.3822 2.82219 3 1 -7 12 54.0622 2.93116 9 1 7 -12 50.3096 3.53557 4 1 -7 -12 53.3412 2.78699 3 1 -7 -12 55.5305 2.96433 9 1 -7 -12 52.8181 3.74458 2 1 7 12 51.3605 3.12435 5 -1 7 -12 51.3369 3.21423 5 -1 -7 12 52.3607 2.87108 9 2 -7 12 197.164 7.67629 9 -2 -7 -12 182.676 8.20415 2 -2 7 12 188.288 8.33107 5 2 -7 12 193.885 7.72974 3 2 7 -12 198.690 7.88870 5 2 7 -12 190.772 8.20010 6 -2 -7 -12 197.955 7.43204 3 2 7 -12 195.151 8.33295 4 2 -7 -12 200.430 7.49719 3 2 7 12 180.384 8.13253 8 2 -7 -12 193.326 7.42018 9 -2 7 -12 199.605 8.00994 5 -2 7 -12 193.852 7.53251 7 2 -7 -12 192.334 8.57627 2 2 7 12 191.039 7.73973 5 3 7 -12 164.715 7.37564 4 3 -7 12 164.233 6.94351 3 3 7 -12 156.079 7.28792 6 3 -7 12 184.256 7.46917 9 -3 -7 -12 155.214 7.19917 2 -3 7 12 157.628 7.44175 5 3 7 -12 169.433 7.02471 5 3 7 12 160.367 6.67252 5 3 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7 -7 -12 18.5644 1.59825 9 7 -7 -12 16.0451 2.36897 2 7 7 12 17.6966 2.00067 8 -8 -7 -12 11.4395 1.46425 2 8 7 -12 11.4046 1.16816 6 8 7 -12 12.5099 1.66377 4 8 7 12 12.9219 1.82601 8 8 -7 -12 11.8506 1.62103 2 -9 7 12 59.4903 3.40324 5 9 7 12 53.1870 2.88128 8 -9 7 -12 55.6203 2.90961 5 0 8 -12 525.835 19.2090 4 0 8 -12 543.117 18.6364 5 0 -8 -12 518.499 19.3649 2 0 8 12 540.587 18.8991 5 0 8 12 541.480 19.1057 8 0 -8 12 550.864 18.8549 9 0 -8 -12 564.250 18.2778 3 -1 8 12 38.5015 2.73817 8 1 -8 12 37.7887 2.67113 9 -1 8 12 44.1804 3.22033 5 1 8 -12 42.3790 3.20912 4 -1 -8 -12 40.6303 3.28805 2 1 8 -12 41.2296 2.66733 5 -1 -8 -12 39.0221 2.31605 3 1 8 12 41.4070 2.92258 5 1 8 12 41.1172 3.10648 8 -1 8 -12 42.9387 2.63620 7 1 -8 -12 42.6138 2.49814 3 1 -8 -12 36.7330 3.05075 2 1 -8 -12 37.0546 2.36038 9 -1 8 -12 40.8049 2.84451 5 -1 8 -12 33.4807 2.76047 4 -2 -8 -12 178.960 8.08012 2 2 8 -12 188.648 7.52732 5 -2 -8 -12 184.365 7.19689 3 -2 8 12 179.634 8.04237 5 2 8 -12 192.202 8.21515 6 2 -8 12 182.169 7.47269 9 2 -8 12 192.736 7.65533 3 2 8 -12 189.647 8.32033 4 2 8 12 184.466 7.47561 5 2 8 12 186.707 8.08075 8 -2 8 -12 193.188 7.79958 5 2 -8 -12 186.490 8.56620 2 2 -8 -12 194.212 7.34965 3 -2 8 -12 190.581 7.46191 7 2 -8 -12 185.626 7.31178 9 -3 -8 -12 450.702 16.7975 2 3 8 -12 463.362 17.0893 6 3 -8 12 470.733 16.3645 9 3 8 -12 457.411 17.0717 4 3 8 -12 467.480 16.2297 5 3 -8 -12 466.810 17.5683 2 -3 8 -12 477.148 16.6050 5 3 -8 -12 453.828 16.1167 3 3 -8 -12 470.011 16.0145 9 3 8 12 453.478 15.9574 5 3 8 12 476.576 17.0279 8 4 -8 12 79.7163 4.16555 9 4 8 -12 74.8988 4.35586 6 4 8 -12 74.5696 4.45159 4 -4 8 12 76.2091 4.86199 5 -4 -8 -12 70.7120 4.28387 2 4 8 12 75.4499 3.60027 5 4 -8 -12 74.9729 3.70517 9 4 -8 -12 80.4774 5.12639 2 -4 8 -12 72.6254 4.13660 5 4 8 12 77.1429 4.61530 8 5 8 -12 103.875 5.54224 4 5 8 -12 104.057 5.27886 6 -5 8 12 95.8338 5.48817 5 -5 -8 -12 97.4216 5.13067 2 5 8 12 104.223 5.35147 8 -5 8 -12 102.717 5.11068 5 5 -8 -12 107.925 5.99125 2 5 8 12 95.5133 4.08772 5 6 8 -12 129.246 8.64163 4 6 -8 12 140.034 5.91148 9 6 8 -12 137.378 6.14139 6 -6 -8 -12 131.173 6.02596 2 6 -8 -12 135.221 5.50336 9 7 -8 12 5.46136 1.11283 9 -7 8 12 5.37631 1.40035 5 7 8 -12 4.21087 1.32774 4 -7 -8 -12 5.34954 1.26937 2 7 8 -12 5.98811 1.18143 6 7 -8 -12 6.59047 1.00841 9 7 8 12 7.34705 1.41615 8 7 -8 -12 7.03663 1.56449 2 -7 8 -12 5.92933 1.40124 5 8 8 -12 82.0141 3.50314 6 -8 -8 -12 80.1136 3.83694 2 -8 8 12 76.5454 4.14086 5 8 8 -12 75.0321 3.98122 4 -8 8 -12 77.5171 3.79435 5 8 -8 -12 74.3766 3.53430 2 8 8 12 79.9150 3.96513 8 -9 -8 -12 13.5467 1.11954 2 9 8 12 12.9685 1.27147 8 -9 -8 12 16.4258 1.30421 2 0 -9 -12 0.49134 0.65638 3 0 9 12 0.86321 0.91298 8 0 -9 -12 0.32750 1.11225 2 0 9 -12 0.65698 0.82458 4 0 9 -12 -0.1412 0.89431 5 0 9 12 0.98303 0.96136 5 -1 9 12 31.2621 2.43135 8 1 9 -12 31.2532 2.67830 6 -1 -9 -12 33.6960 2.36605 3 -1 9 12 31.8762 2.77204 5 1 9 -12 30.0032 2.95601 4 1 9 -12 35.7664 2.49003 5 -1 -9 -12 29.3890 2.89828 2 1 9 12 31.3809 2.52069 5 -1 9 -12 31.4494 2.64490 4 -1 9 -12 32.0594 2.36030 5 1 -9 -12 31.6700 2.88637 2 -1 9 -12 24.8713 2.39885 7 1 9 12 34.0126 2.64895 8 2 -9 12 141.784 6.00068 3 -2 -9 -12 120.982 6.86827 2 -2 -9 -12 132.986 5.49894 3 2 -9 12 126.851 5.76732 9 2 -9 -12 132.085 5.57176 3 2 -9 -12 132.635 5.65510 9 -2 9 -12 139.268 5.95808 7 3 9 -12 26.9050 2.57536 4 3 9 -12 27.6634 2.30069 5 3 9 -12 28.1085 2.81998 6 3 -9 12 24.3492 2.20711 9 -3 9 12 27.0001 2.60323 5 -3 -9 -12 27.0920 2.74271 2 3 9 12 27.5091 2.71385 8 3 9 12 29.1096 2.18527 5 -3 9 -12 28.9376 2.33826 5 3 -9 -12 28.5146 3.09948 2 3 -9 -12 28.5711 2.07440 9 4 9 -12 14.0672 2.10556 6 -4 9 12 18.7120 2.25132 5 4 9 -12 15.7328 2.01268 4 4 -9 12 17.5433 2.11764 9 -4 -9 -12 15.0628 1.88326 2 4 9 12 14.7591 1.95715 8 4 -9 -12 15.5618 2.29582 2 4 9 12 14.6602 1.24309 5 4 -9 -12 19.0169 1.66536 9 -4 9 -12 17.3148 1.94935 5 -5 9 12 12.7255 1.99687 5 5 9 -12 12.6509 1.82638 4 5 -9 12 15.6853 1.97779 9 5 9 -12 12.0703 1.76089 6 -5 -9 -12 12.3256 1.94437 2 5 -9 -12 13.6607 2.56875 2 -5 9 -12 11.7811 2.01153 5 5 9 12 12.2315 1.77092 8 5 -9 -12 10.8944 1.59548 9 6 9 -12 24.4083 2.12890 6 6 9 -12 24.2602 2.56787 4 -6 9 12 23.8363 2.71811 5 -6 -9 -12 25.1138 2.21197 2 6 -9 12 18.6261 2.05866 9 6 9 12 28.9389 2.46981 8 -6 9 -12 28.2869 2.26796 5 6 -9 -12 27.1639 2.98881 2 6 -9 -12 26.4934 1.84335 9 7 9 -12 25.6823 2.47935 4 -7 -9 -12 24.7584 2.19149 2 -7 9 12 25.5196 2.38785 5 -7 9 -12 24.2738 2.05761 5 7 -9 -12 27.2218 2.33380 2 7 9 12 27.2183 2.23158 8 -8 -9 -12 37.1340 2.17072 2 -8 9 12 32.5216 2.46709 5 8 9 -12 37.3985 1.88706 6 8 9 -12 37.0788 2.42525 4 -8 9 -12 37.7174 2.33207 5 8 9 12 39.8499 2.37421 8 8 -9 -12 35.6458 2.08383 2 9 9 12 11.9969 0.98478 8 0 -10 -12 52.1745 3.80973 2 0 10 12 52.7639 3.59991 8 0 10 12 57.8994 3.35465 5 0 10 -12 55.6423 3.63708 4 0 10 -12 60.3076 3.23031 5 -1 10 12 17.9728 2.11614 8 -1 -10 -12 12.9568 2.23573 2 1 10 -12 12.1843 1.61564 5 -1 10 12 17.1740 2.17458 5 1 10 -12 16.9519 2.05814 4 1 10 -12 15.2248 2.25686 6 1 10 12 15.3958 1.69352 5 -1 10 -12 15.7498 1.94002 4 1 -10 -12 14.3866 2.17980 2 -1 10 -12 16.3389 1.93499 5 1 10 12 17.1707 1.93750 8 2 -10 12 1.17503 1.27482 9 2 10 -12 1.31280 0.79179 6 -2 -10 -12 3.04330 1.27294 2 2 10 -12 2.02343 0.94085 5 -2 10 12 1.37725 1.14193 5 2 10 -12 1.01052 0.83472 4 -2 10 12 2.51151 0.96204 8 2 10 12 0.91988 0.67598 5 -2 10 -12 1.73832 0.92628 5 2 10 12 2.00346 0.82608 8 2 -10 -12 1.46766 0.96205 2 -2 10 -12 2.13999 1.17211 4 -3 10 12 9.54686 1.68593 5 -3 -10 -12 9.47499 2.00485 2 3 10 -12 8.07769 1.92589 4 3 -10 12 9.43955 1.90629 9 3 10 -12 7.61519 1.58272 6 -3 10 -12 10.2077 1.83929 5 3 -10 -12 11.8833 2.34037 2 3 10 12 9.55510 1.61700 8 4 -10 12 30.0077 2.60503 9 4 10 -12 24.8990 2.43495 4 -4 10 12 24.8236 2.40372 5 -4 -10 -12 24.1734 2.38779 2 4 10 -12 25.8687 2.57435 6 4 10 12 25.5378 2.39268 8 4 -10 -12 20.9783 2.11742 9 -4 10 -12 23.7813 2.09840 5 4 -10 -12 24.6372 2.96875 2 5 -10 12 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3.66063 5 3 -3 -14 62.6452 4.17522 2 4 3 -14 111.303 5.61701 4 -4 3 14 109.646 6.15143 5 -4 -3 -14 109.042 5.29724 9 -4 -3 -14 112.646 5.73192 2 4 -3 14 109.982 5.43411 3 4 3 -14 118.969 6.11895 5 -4 3 14 125.512 4.82199 9 4 -3 14 118.310 5.02706 9 4 -3 -14 107.869 5.24506 3 4 -3 -14 109.482 6.06329 2 -4 3 -14 118.209 5.06585 9 -4 3 -14 113.224 5.86726 5 4 -3 -14 117.626 4.81778 9 4 3 14 116.368 5.49862 5 -4 -3 14 117.286 4.99756 9 -4 3 -14 120.435 5.64984 2 5 -3 14 6.44924 1.32904 9 -5 -3 -14 4.84333 1.32898 9 -5 3 14 4.31842 0.85634 9 -5 3 14 5.69057 1.69032 5 -5 -3 -14 4.93027 1.42443 2 5 3 -14 5.88603 1.37099 4 -5 3 -14 6.49688 1.24360 9 5 -3 -14 3.86455 1.57903 2 -5 -3 14 4.16810 1.05018 9 -5 3 -14 6.12793 1.50222 2 5 3 14 5.42917 1.20157 5 5 -3 -14 3.72064 0.77416 9 -5 3 -14 3.21991 1.43251 5 -6 -3 -14 14.9289 2.23048 9 6 -3 14 15.0943 1.49853 9 -6 3 14 13.6244 1.52396 9 -6 3 14 18.0048 3.21629 5 6 3 -14 11.5764 1.98119 4 -6 -3 -14 13.5845 1.83874 2 -6 3 -14 13.3270 1.79427 2 -6 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76.2669 3.82843 9 -3 4 -14 76.8800 3.57698 9 3 -4 -14 71.4178 3.78851 3 3 4 14 75.9563 4.28070 5 -3 -4 14 65.5189 3.78066 9 3 -4 -14 75.6826 4.75595 2 -3 4 -14 72.2052 4.38163 5 3 -4 -14 64.7775 4.59078 5 -3 4 -14 70.4196 3.81107 2 3 -4 -14 76.3492 3.60979 9 -4 4 14 105.655 4.32946 9 4 4 -14 109.664 6.12456 4 -4 -4 -14 103.683 5.09785 9 4 -4 14 101.651 5.34671 3 4 -4 14 107.487 4.88138 9 -4 -4 14 107.013 4.81082 9 -4 4 -14 107.833 4.72089 9 4 4 14 113.520 5.68022 5 4 -4 -14 100.039 5.00055 3 4 -4 -14 110.074 4.67435 9 -5 -4 -14 32.2287 2.49268 9 -5 4 14 29.1838 3.13554 5 5 -4 14 33.2004 2.23156 9 -5 4 14 30.4361 2.01157 9 -5 -4 -14 29.6000 2.83336 2 5 4 -14 27.2608 2.78095 4 5 -4 -14 32.3847 2.04658 9 5 -4 -14 31.1056 2.92567 2 5 4 14 31.4151 2.47694 5 -5 4 -14 32.0145 2.68698 2 -5 4 -14 28.5806 3.03147 5 -5 -4 14 30.9313 2.34484 9 6 -4 14 146.462 5.75227 9 -6 -4 -14 147.131 6.69482 2 -6 -4 -14 135.012 6.40379 9 6 4 -14 146.093 6.69626 4 -6 4 14 142.877 5.46335 9 -6 4 14 142.080 7.80594 5 6 -4 -14 140.909 6.52226 2 6 -4 -14 144.195 5.50719 9 6 4 14 147.300 6.13889 5 -6 4 -14 129.216 6.91199 5 -6 4 -14 145.460 5.82848 9 -6 -4 14 134.790 5.91687 9 7 4 -14 3.88153 1.11645 4 -7 -4 -14 4.22378 1.11981 2 7 -4 14 5.23176 1.05441 9 -7 4 14 0.32341 1.56612 5 -7 4 14 2.88685 1.09869 2 -7 -4 14 0.44062 0.98463 9 7 -4 -14 1.30607 1.03027 2 -7 4 -14 3.01292 1.04396 5 7 -4 -14 1.98448 0.65124 9 7 4 14 3.33005 0.85404 5 -7 4 -14 3.49740 1.05682 2 -8 -4 -14 89.3300 4.27815 2 -8 4 14 82.4646 3.76706 2 -8 4 14 90.7084 4.82297 5 -8 4 -14 82.9094 3.72631 2 8 4 14 96.2796 4.44015 8 -8 4 -14 84.8167 4.25093 5 -9 -4 -14 24.7269 1.74873 2 -9 4 14 20.7980 1.93276 5 9 4 14 23.1339 1.65894 8 -9 -4 14 23.2574 1.93083 2 -9 4 -14 19.8594 1.71044 5 0 -5 -14 214.639 9.18648 2 0 5 14 210.008 9.00071 5 0 -5 14 220.293 8.26845 9 0 -5 -14 215.217 8.31568 3 0 5 -14 223.002 8.94236 5 0 -5 -14 222.372 8.28683 9 1 5 -14 168.782 7.34166 5 -1 -5 -14 166.340 6.76077 3 -1 -5 -14 171.045 6.77978 9 -1 -5 -14 168.806 7.59373 2 -1 5 14 172.252 5.74324 9 1 -5 14 167.635 6.75366 9 -1 5 14 168.854 7.70086 5 1 5 14 168.699 7.39995 5 -1 5 -14 168.036 6.53054 7 1 5 14 168.864 7.26492 8 1 -5 -14 170.900 6.66444 9 -1 -5 14 167.166 6.68918 9 -1 5 -14 170.619 7.43304 5 1 -5 -14 167.084 7.79243 2 -1 5 -14 167.450 5.89962 9 1 -5 -14 170.287 6.82620 3 -2 -5 -14 244.381 10.0021 2 -2 -5 -14 240.049 9.20458 3 2 5 -14 238.305 9.74212 6 -2 5 14 249.400 10.2361 5 -2 -5 -14 239.462 9.13040 9 2 5 -14 242.878 9.84588 5 -2 5 -14 234.919 9.68092 5 2 -5 -14 250.091 9.24599 3 2 5 14 246.399 9.68828 8 2 -5 -14 240.798 10.3074 2 2 5 14 247.609 9.64265 5 -2 -5 14 239.204 9.04992 9 -3 -5 -14 121.670 6.02272 2 3 -5 14 122.706 5.70608 3 -3 5 14 129.349 4.72786 9 3 5 -14 123.288 5.92862 4 -3 5 14 123.535 6.62075 5 3 5 -14 131.305 6.04550 6 -3 -5 -14 118.604 5.43293 9 3 -5 14 130.449 5.59241 9 3 5 -14 119.936 6.10520 5 3 5 14 127.789 5.78499 5 3 -5 -14 119.237 6.46691 2 3 -5 -14 131.497 5.57068 3 -3 5 -14 114.994 5.50236 2 -3 -5 14 121.380 5.27341 9 -3 5 -14 127.029 4.93425 9 3 -5 -14 129.288 5.34764 9 -3 5 -14 125.242 6.12521 5 3 5 14 128.373 5.98707 8 4 -5 14 125.821 5.34641 9 -4 -5 -14 112.075 5.78762 2 -4 -5 -14 117.004 5.46324 9 4 5 -14 116.102 5.84548 4 4 5 -14 100.395 5.24770 6 -4 5 14 115.779 4.47392 9 -4 5 14 116.434 6.44101 5 4 5 -14 113.691 5.81719 5 4 5 14 113.908 5.46772 5 -4 5 -14 108.705 5.20667 2 -4 5 -14 120.104 5.78445 5 -4 -5 14 120.779 5.17989 9 4 5 14 109.078 5.68453 8 4 -5 -14 116.954 6.34191 2 4 -5 -14 118.341 4.94627 9 -5 5 14 222.494 7.70225 9 5 5 -14 214.942 9.11593 4 5 -5 14 224.860 8.42309 9 -5 5 14 218.000 9.72301 5 -5 -5 -14 215.472 9.13388 2 5 5 -14 206.033 8.47506 6 -5 5 -14 218.190 7.98620 9 5 5 14 217.381 8.51977 5 -5 5 -14 205.302 8.34807 2 5 -5 -14 226.405 8.20335 9 -5 5 -14 222.122 9.20483 5 5 -5 -14 231.989 9.69850 2 -6 5 14 21.1510 2.17365 2 6 -5 14 26.1340 1.86381 9 -6 5 14 28.6648 2.92902 5 -6 5 14 24.8514 1.57152 9 -6 -5 -14 24.3446 2.37702 9 -6 5 -14 24.6238 2.37269 5 -6 -5 14 26.1741 2.31176 9 6 5 14 20.2491 3.56999 8 -6 5 -14 23.1609 2.10570 2 -6 5 -14 22.8209 1.73616 9 6 -5 -14 26.1497 1.87545 9 -7 5 14 34.0900 3.13163 2 -7 -5 -14 33.9054 2.53878 2 -7 5 14 35.4436 3.44701 5 7 5 -14 34.9224 2.62413 4 7 -5 -14 27.9816 1.90109 9 7 5 14 33.5991 2.73369 8 -7 5 -14 31.6436 2.54600 5 7 -5 -14 34.5826 2.51778 2 7 5 14 32.4205 2.12473 5 -8 5 14 55.7247 3.47819 5 -8 -5 -14 52.9722 3.04678 2 -8 5 -14 56.7894 3.13187 5 8 5 14 53.0773 2.16647 5 8 5 14 48.7173 3.79270 8 9 5 14 37.0936 2.17063 8 -9 -5 14 39.2125 2.78873 2 -9 5 -14 37.3446 2.16100 5 0 6 14 250.942 10.1081 5 0 -6 -14 258.892 9.45150 9 0 -6 -14 252.583 9.44554 3 0 -6 -14 246.161 10.3473 2 0 6 -14 258.290 10.0888 5 0 -6 14 250.446 9.42607 9 1 6 -14 8.88580 2.01264 5 -1 -6 -14 12.1018 1.36319 3 -1 -6 -14 14.3283 1.68742 9 -1 6 14 12.2614 1.88985 5 -1 -6 -14 11.3982 2.15147 2 -1 6 -14 10.6402 1.76661 7 1 6 14 8.43642 1.63038 5 1 6 14 9.10451 1.97251 8 1 -6 -14 15.2587 1.66575 3 -1 -6 14 10.0726 1.34445 9 1 -6 -14 13.9565 2.04102 2 -1 6 -14 11.1963 1.70153 5 2 -6 14 81.0733 4.10563 9 -2 6 14 80.8429 4.73472 5 -2 -6 -14 90.9422 4.71798 9 2 6 -14 85.9788 4.55915 4 2 -6 14 79.6825 4.11876 3 -2 -6 -14 73.7518 4.23944 3 2 6 -14 79.2036 4.33747 5 -2 -6 -14 80.0497 4.56101 2 2 6 -14 77.7241 4.42674 6 -2 6 -14 79.8478 4.37500 5 -2 6 -14 74.0891 3.78837 7 2 -6 -14 79.4908 3.88204 9 2 -6 -14 77.8240 3.95281 3 -2 -6 14 67.6744 4.16736 9 2 6 14 81.5080 4.45995 5 2 6 14 78.2014 4.49469 8 2 -6 -14 79.2588 4.96831 2 3 6 -14 754.678 25.4025 5 3 -6 14 757.420 24.8573 9 -3 -6 -14 745.002 25.7128 2 -3 -6 -14 740.895 24.8699 9 3 -6 14 705.804 25.0936 3 -3 6 14 751.407 26.0869 5 3 6 14 767.568 25.5940 8 -3 6 -14 763.356 25.4561 5 3 -6 -14 739.562 24.8128 3 3 -6 -14 745.172 26.1329 2 3 -6 -14 764.569 24.6121 9 -3 6 -14 739.114 24.7713 7 3 6 14 682.914 25.4195 5 -3 6 -14 708.760 23.3636 9 -3 -6 14 719.022 24.5985 9 -4 6 14 853.321 29.1939 5 4 6 -14 855.121 28.6307 4 4 6 -14 844.966 28.3327 5 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3.50835 5 -2 2 -21 50.0202 3.14158 5 -2 -2 21 50.3858 3.36353 5 2 2 21 60.6561 3.52152 5 -3 -2 -21 44.7666 2.51537 2 3 -2 21 43.8057 2.72032 5 -3 2 21 45.7619 2.94908 5 -3 2 -21 44.6424 2.76435 5 3 2 21 37.0965 2.56576 5 -4 2 21 17.0069 1.81738 5 -4 -2 -21 21.1367 1.87588 2 4 -2 21 12.8828 2.65598 5 4 2 21 18.3890 1.59651 5 -5 -2 -21 45.0913 2.39907 2 5 2 21 45.8895 2.22103 5 0 -3 -21 0.37056 1.06432 5 0 3 -21 0.62684 1.11998 5 0 -3 -21 0.74052 0.72074 2 0 -3 21 1.54474 1.95627 5 0 3 21 0.38131 0.83136 5 1 3 -21 28.8465 2.37219 5 -1 3 21 23.3399 2.29503 5 -1 -3 -21 26.2899 2.04995 2 1 3 21 30.1494 2.48600 5 -1 -3 21 25.9149 2.78865 5 1 -3 -21 23.5013 1.87455 2 -1 3 -21 24.0286 2.22178 5 2 3 -21 52.6396 3.22026 5 -2 3 21 49.6228 3.50137 5 -2 -3 -21 52.6653 3.09686 2 -2 3 -21 51.4363 3.34631 5 2 3 21 50.7578 3.02426 5 -3 -3 -21 12.6527 1.40257 2 3 -3 21 8.78962 1.74940 5 -3 3 21 14.9400 1.89655 5 3 3 21 12.0701 1.48389 5 -3 3 -21 12.3429 1.96909 5 -4 -3 -21 10.8598 1.18992 2 -4 3 21 7.97431 1.46879 5 4 -3 21 9.72288 1.40834 5 -4 3 -21 12.2608 1.43680 5 4 3 21 10.8173 1.25596 5 -5 -3 -21 3.37757 0.62025 2 5 3 21 2.05876 0.44313 5 0 4 21 0.32525 0.74042 5 0 4 -21 0.20983 0.74864 5 0 -4 -21 -0.2276 0.65811 2 -1 4 21 61.4836 3.51820 5 1 -4 21 62.0573 3.66405 5 1 4 -21 62.1844 3.62157 5 -1 -4 -21 58.8306 3.24350 2 1 4 21 60.3356 3.29501 5 1 -4 -21 58.8910 3.25136 2 -1 4 -21 52.9141 3.31367 5 2 4 -21 7.64551 1.36158 5 -2 4 21 8.06636 1.54302 5 2 -4 21 7.39788 1.67913 5 -2 -4 -21 8.83269 1.67584 2 -2 4 -21 8.18391 1.46054 5 2 -4 -21 7.02146 1.55576 2 2 4 21 7.86621 1.33381 5 -3 -4 -21 39.9007 2.43114 2 -3 4 21 38.7161 2.67080 5 3 4 21 41.0487 2.34472 5 -3 4 -21 40.1579 2.72146 5 4 -4 21 0.43118 0.70904 5 -4 -4 -21 -0.0133 0.55525 2 -4 4 21 1.16666 0.71193 5 4 4 21 0.84503 0.75810 5 -4 4 -21 0.58265 0.63186 5 -5 4 -21 3.82209 0.85509 5 0 -5 -21 0.65980 0.74902 2 0 5 21 0.47520 0.72285 5 0 5 -21 0.67243 0.73878 5 1 5 -21 1.41356 0.80601 5 -1 -5 -21 2.16253 1.04806 2 -1 5 21 2.09437 0.88356 5 1 5 21 3.13488 0.92022 5 -1 5 -21 2.33855 0.89316 5 1 -5 -21 2.13406 0.81238 2 -2 -5 -21 116.454 5.17511 2 -2 5 21 125.047 5.49339 5 -2 5 -21 119.943 5.20093 5 2 5 21 119.254 4.96273 5 2 -5 -21 127.040 5.78192 2 -3 -5 -21 56.8267 2.86329 2 -3 5 21 41.7750 2.76784 5 3 5 21 55.3445 2.55412 5 -3 5 -21 59.2750 2.94483 5 -4 5 21 18.7274 1.66403 5 -4 -5 -21 14.6872 1.38438 2 4 5 21 17.8063 1.07311 5 0 6 21 0.56215 0.70139 5 0 -6 -21 -0.2367 0.64629 2 0 6 -21 0.37433 0.68700 5 -1 6 21 238.644 8.74006 5 1 -6 -21 236.261 8.78434 2 -1 6 -21 232.811 8.64838 5 -2 6 21 26.3786 2.01776 5 -2 -6 -21 30.6292 2.13375 2 2 -6 -21 25.9144 1.96606 2 -2 6 -21 35.0391 2.13918 5 2 6 21 31.6306 1.81627 5 -3 6 21 5.08070 0.99172 5 -3 6 -21 6.66037 1.22723 5 -4 -6 -21 6.33892 0.86324 2 -4 6 -21 5.03838 0.87817 5 0 7 21 0.56828 0.61612 5 0 7 -21 -0.2994 0.50075 5 0 -7 -21 -0.3856 0.63368 2 -1 7 21 11.0734 1.23739 5 -1 -7 -21 10.3774 1.32844 2 1 -7 -21 11.2545 1.77790 2 2 7 21 70.2057 2.71665 5 2 -7 -21 65.0142 3.01764 2 -3 -7 -21 0.30979 0.46383 2 -3 7 21 0.16918 0.44356 5 0 8 21 0.31855 0.54474 5 0 -8 -21 0.63289 0.59100 2 -1 8 21 65.9057 2.59054 5 -1 -8 -21 66.6179 3.14121 2 -1 8 -21 62.0515 2.61089 5 1 -8 -21 78.7049 3.30753 2 -2 -8 -21 15.0231 1.29445 2 -2 8 21 13.3824 1.03598 5 2 -8 -21 13.4972 1.08398 2 -2 8 -21 11.2072 0.82837 5 0 0 22 147.102 6.21104 5 0 0 -22 142.474 6.20049 5 1 0 -22 11.1216 1.62638 5 -1 0 22 13.5889 2.86639 5 1 0 22 14.9904 1.76902 5 -1 0 -22 24.6156 4.06233 5 -2 0 -22 0.11974 0.83143 5 -2 0 22 3.20115 0.96802 5 2 0 22 -0.2147 1.00911 5 -3 0 22 9.69328 1.53958 5 3 0 22 9.42926 2.00500 5 -3 0 -22 9.49523 1.43984 5 0 -1 22 63.6428 5.16925 5 0 1 22 68.1502 3.51395 5 0 1 -22 55.2764 3.32398 5 -1 -1 -22 52.0433 3.05398 5 -1 1 22 53.0815 3.17585 5 1 1 -22 56.1929 3.15530 5 -1 1 -22 50.1797 3.11259 5 1 1 22 50.7756 3.00315 5 -1 -1 22 52.0330 3.10961 5 -2 1 22 35.2560 2.65062 5 2 1 22 37.0153 2.41132 5 -2 1 -22 27.6050 2.30701 5 -2 -1 22 34.8206 2.49687 5 3 -1 22 5.96733 1.20183 5 -3 1 22 4.74134 1.00133 5 -3 1 -22 3.49512 0.85218 5 3 1 22 1.73724 0.79403 5 4 -1 22 7.79291 1.03627 5 0 2 22 33.4549 2.47953 5 0 -2 -22 34.2567 2.51570 5 0 2 -22 42.8350 2.71678 5 0 -2 22 40.9363 2.74471 5 -1 -2 -22 26.3079 1.77326 2 1 -2 22 32.1886 2.29050 5 -1 -2 -22 25.2605 2.34515 5 1 2 -22 32.5170 2.30872 5 -1 2 22 33.7307 2.38408 5 -1 2 -22 34.0345 2.43871 5 1 2 22 31.4899 2.29492 5 -1 -2 22 32.8100 2.46913 5 -2 -2 -22 11.2236 1.11891 2 2 -2 22 11.4153 1.59209 5 -2 2 22 10.9129 2.00251 5 -2 2 -22 11.9197 1.56802 5 2 2 22 11.1143 1.46691 5 3 -2 22 36.5500 2.23036 5 -3 -2 -22 30.4629 2.10035 2 -3 2 -22 40.2219 2.37115 5 4 -2 22 22.8658 2.21992 5 4 2 22 19.2407 1.34060 5 0 3 -22 132.204 5.49115 5 0 -3 -22 116.889 4.71612 2 0 3 22 132.309 5.43427 5 1 3 -22 15.2145 1.63686 5 -1 3 22 18.7820 1.90154 5 -1 -3 -22 13.1714 1.59451 2 1 3 22 18.7998 1.71241 5 -1 3 -22 17.5953 1.78970 5 -2 3 22 17.7309 2.65993 5 -2 -3 -22 24.8971 1.66171 2 2 3 22 25.3051 1.85387 5 -3 -3 -22 17.3504 1.32132 2 -3 3 -22 19.1833 1.61904 5 0 4 -22 23.7841 1.91171 5 0 4 22 33.0439 2.19272 5 -1 4 22 34.6119 2.26767 5 1 4 -22 37.0885 2.29606 5 -1 -4 -22 31.4280 2.03902 2 1 4 22 39.9061 2.29153 5 -1 4 -22 33.2481 2.34593 5 -2 -4 -22 0.88757 0.55307 2 -2 4 22 1.73241 1.45783 5 -2 4 -22 1.13289 0.69841 5 2 4 22 1.89657 0.79350 5 -3 4 22 35.5141 2.18742 5 -3 4 -22 38.9203 2.18658 5 3 4 22 36.6721 1.85423 5 0 -5 -22 17.5297 1.33054 2 -1 -5 -22 18.8840 1.37380 2 1 5 22 12.1998 1.68471 5 -1 5 -22 17.9320 2.37882 5 1 -5 -22 16.3945 1.33659 2 -2 -5 -22 96.8541 3.96461 2 2 5 22 103.166 3.86954 5 0 -6 -22 53.0448 2.53350 2 0 6 22 63.0379 2.60363 5 -1 -6 -22 65.8328 2.89521 2 1 6 22 66.6202 2.67998 5 -2 -6 -22 1.88515 0.52711 2 -2 6 22 1.71940 0.59529 5 -2 6 -22 2.47250 0.56931 5 0 0 23 -0.9969 0.64785 5 -1 0 23 9.63756 2.07673 5 1 0 23 12.8179 1.44453 5 -1 0 -23 12.0202 1.42166 5 2 0 23 10.9147 1.23136 5 0 1 -23 -0.4394 0.50294 5 0 1 23 -0.7734 0.55801 5 0 -1 23 0.95692 1.30183 5 1 -1 23 31.7449 2.20896 5 -1 1 -23 36.2400 2.19467 5 1 1 23 40.4641 2.23809 5 2 -1 23 9.49045 1.22271 5 -2 1 -23 10.7750 1.31231 5 0 2 23 0.12932 0.57729 5 -1 2 23 38.4401 2.27414 5 1 2 23 41.6516 2.27830 5 2 2 23 55.4381 2.58355 5 0 3 23 1.15694 0.62665 5 0 0 0 0.00 0.00 0 ; _shelx_hkl_checksum 75099 _shelx_res_file ; TITL c22007 : space group Pna2(1) c22007.res created by SHELXL-2019/2 at 09:22:31 on 01-Sep-2022 REM Formula found by SHELXT: C36 N6 O4 CELL 1.54178 18.7779 10.0699 15.7288 90.000 90.000 90.000 ZERR 8 0.0004 0.0002 0.0003 0.000 0.000 0.000 LATT -1 SYMM -X, -Y, 1/2+Z SYMM 1/2+X, 1/2-Y, Z SYMM 1/2-X, 1/2+Y, 1/2+Z SFAC C H N O UNIT 136 136 24 24 TEMP -183 SIZE 0.24 0.18 0.12 REM COLR orange REM FORM cut block L.S. 10 BOND $H LIST 4 ACTA CONF REM Instructions for potential hydrogen bonds HTAB C6B O1A HTAB C7B O1A EQIV $1 x, y, z+1 HTAB C6A O1B_$1 HTAB C7A O1B_$1 REM The rest are commented out because of poor geometry: REM EQIV $1 -x+3/2, y-1/2, z-1/2 REM HTAB C2A O3A_$1 REM EQIV $2 x+1/2, -y+1/2, z REM HTAB C2A O2B_$2 REM HTAB C2A O3B_$2 REM EQIV $4 -x+1, -y, z-1/2 REM HTAB C1B O1A_$4 REM EQIV $5 -x+1, -y+1, z-1/2 REM HTAB C3B N2A_$5 REM HTAB C4B O2B_$4 REM HTAB REM Various planes for dihedrals etc. MPLA C5A C6A C7A C8A C9A C10A MPLA C12A C13A C14A C15A C16A C17A MPLA C5B C6B C7B C8B C9B C10B MPLA C12B C13B C14B C15B C16B C17B MPLA C5A C6A C7A C8A C9A C10A MPLA N3A O2A O3A MPLA C5B C6B C7B C8B C9B C10B MPLA N3B O2B O3B REM Various specific torsions: RTAB tors N1A C11A C12A C13A RTAB tors N1B C11B C12B C13B FMAP 2 PLAN 20 WGHT 0.037100 0.685700 EXTI 0.002156 FVAR 0.51551 O1A 4 0.492678 0.256847 0.565535 11.00000 0.02656 0.02118 = 0.02551 -0.00199 -0.00246 -0.00688 O2A 4 0.686238 0.601627 1.174773 11.00000 0.04366 0.04727 = 0.01728 -0.00125 -0.00042 -0.00874 O3A 4 0.760596 0.733233 1.113192 11.00000 0.04931 0.04848 = 0.02632 -0.00454 -0.00774 -0.02265 N1A 3 0.558580 0.418954 0.625965 11.00000 0.02023 0.02340 = 0.01948 -0.00346 0.00033 -0.00483 N2A 3 0.610004 0.495907 0.789143 11.00000 0.01802 0.02370 = 0.01688 -0.00349 0.00133 -0.00361 N3A 3 0.712153 0.650575 1.110337 11.00000 0.02891 0.03042 = 0.01890 -0.00214 -0.00271 -0.00131 C1A 1 0.621787 0.503449 0.632809 11.00000 0.02281 0.02412 = 0.01733 -0.00282 0.00064 -0.00604 AFIX 23 H1AA 2 0.607617 0.597868 0.628176 11.00000 -1.20000 H1AB 2 0.654911 0.483266 0.585577 11.00000 -1.20000 AFIX 0 C2A 1 0.659195 0.480382 0.717438 11.00000 0.01903 0.02436 = 0.01882 -0.00359 0.00125 -0.00211 AFIX 23 H2AA 2 0.679576 0.389723 0.718316 11.00000 -1.20000 H2AB 2 0.698868 0.544445 0.723448 11.00000 -1.20000 AFIX 0 C3A 1 0.550493 0.403248 0.782031 11.00000 0.01880 0.02491 = 0.01938 -0.00216 0.00178 -0.00621 AFIX 23 H3AA 2 0.517626 0.415436 0.830622 11.00000 -1.20000 H3AB 2 0.568435 0.310825 0.783299 11.00000 -1.20000 AFIX 0 C4A 1 0.511243 0.428247 0.699317 11.00000 0.01930 0.02731 = 0.02126 -0.00430 0.00127 -0.00364 AFIX 23 H4AA 2 0.472393 0.362465 0.693253 11.00000 -1.20000 H4AB 2 0.489499 0.517774 0.700923 11.00000 -1.20000 AFIX 0 C5A 1 0.636498 0.529625 0.868878 11.00000 0.01697 0.01987 = 0.01852 -0.00210 0.00002 0.00249 C6A 1 0.610952 0.469646 0.943730 11.00000 0.01980 0.02176 = 0.02192 -0.00014 0.00094 -0.00221 AFIX 43 H6A 2 0.576303 0.401156 0.939965 11.00000 -1.20000 AFIX 0 C7A 1 0.635539 0.508942 1.022591 11.00000 0.02347 0.02549 = 0.01833 0.00079 0.00332 -0.00003 AFIX 43 H7A 2 0.618067 0.467679 1.072742 11.00000 -1.20000 AFIX 0 C8A 1 0.685954 0.609169 1.027837 11.00000 0.02116 0.02428 = 0.01750 -0.00351 -0.00051 0.00271 C9A 1 0.712530 0.670572 0.955176 11.00000 0.01812 0.02002 = 0.02319 -0.00188 -0.00126 -0.00102 AFIX 43 H9A 2 0.746997 0.739266 0.959720 11.00000 -1.20000 AFIX 0 C10A 1 0.688271 0.630563 0.876629 11.00000 0.01942 0.02131 = 0.01819 0.00076 0.00183 0.00036 AFIX 43 H10A 2 0.706667 0.671542 0.826856 11.00000 -1.20000 AFIX 0 C11A 1 0.541061 0.338467 0.559958 11.00000 0.02149 0.01699 = 0.01930 0.00036 -0.00526 0.00157 C12A 1 0.580525 0.352514 0.477374 11.00000 0.02055 0.01869 = 0.01834 -0.00274 -0.00641 -0.00004 C13A 1 0.592942 0.475490 0.439788 11.00000 0.02622 0.01976 = 0.01916 -0.00066 -0.00337 0.00083 AFIX 43 H13A 2 0.580037 0.554491 0.468986 11.00000 -1.20000 AFIX 0 C14A 1 0.624169 0.483428 0.359637 11.00000 0.02697 0.02315 = 0.02427 0.00336 -0.00614 -0.00191 AFIX 43 H14A 2 0.632511 0.567619 0.334269 11.00000 -1.20000 AFIX 0 C15A 1 0.643121 0.367889 0.316792 11.00000 0.02240 0.03268 = 0.01846 -0.00069 -0.00335 0.00086 AFIX 43 H15A 2 0.664928 0.373155 0.262397 11.00000 -1.20000 AFIX 0 C16A 1 0.630203 0.245149 0.353428 11.00000 0.02334 0.02550 = 0.02175 -0.00553 -0.00471 0.00434 AFIX 43 H16A 2 0.643110 0.166306 0.324057 11.00000 -1.20000 AFIX 0 C17A 1 0.598429 0.237056 0.432986 11.00000 0.02444 0.01882 = 0.02151 -0.00014 -0.00576 0.00076 AFIX 43 H17A 2 0.588821 0.152610 0.457348 11.00000 -1.20000 AFIX 0 O1B 4 0.514350 0.273562 0.051620 11.00000 0.02783 0.03102 = 0.02899 0.00759 0.00217 -0.00808 O2B 4 0.334049 -0.069113 0.677394 11.00000 0.02880 0.03895 = 0.01688 -0.00287 -0.00336 -0.00153 O3B 4 0.261092 -0.204330 0.616292 11.00000 0.03656 0.03676 = 0.02547 -0.00035 0.00497 -0.01428 N1B 3 0.456766 0.118680 0.129052 11.00000 0.02609 0.02028 = 0.02206 0.00083 0.00308 -0.00314 N2B 3 0.401722 0.049181 0.291592 11.00000 0.02282 0.02387 = 0.01826 -0.00082 -0.00015 -0.00608 N3B 3 0.306673 -0.116117 0.612954 11.00000 0.02199 0.02631 = 0.01895 -0.00110 0.00085 0.00122 C1B 1 0.415607 -0.003274 0.140591 11.00000 0.03530 0.01827 = 0.02242 -0.00093 0.00393 -0.00346 AFIX 23 H1BA 2 0.448370 -0.078227 0.151953 11.00000 -1.20000 H1BB 2 0.388941 -0.023286 0.087827 11.00000 -1.20000 AFIX 0 C2B 1 0.363998 0.011236 0.213856 11.00000 0.02850 0.02403 = 0.01755 -0.00072 0.00012 -0.00890 AFIX 23 H2BA 2 0.328046 0.079722 0.199825 11.00000 -1.20000 H2BB 2 0.338820 -0.073922 0.223114 11.00000 -1.20000 AFIX 0 C3B 1 0.446075 0.167579 0.280172 11.00000 0.02527 0.02450 = 0.02026 -0.00042 0.00002 -0.00703 AFIX 23 H3BA 2 0.473969 0.183527 0.332597 11.00000 -1.20000 H3BB 2 0.415063 0.245682 0.270653 11.00000 -1.20000 AFIX 0 C4B 1 0.496441 0.152426 0.205674 11.00000 0.02202 0.02626 = 0.02662 0.00353 -0.00007 -0.00258 AFIX 23 H4BA 2 0.522715 0.236492 0.196672 11.00000 -1.20000 H4BB 2 0.531553 0.081701 0.218093 11.00000 -1.20000 AFIX 0 C5B 1 0.374086 0.018127 0.370648 11.00000 0.01858 0.01878 = 0.01891 -0.00109 -0.00061 0.00276 C6B 1 0.405519 0.067107 0.446074 11.00000 0.02002 0.02141 = 0.02364 -0.00236 -0.00046 -0.00246 AFIX 43 H6B 2 0.442914 0.130351 0.442141 11.00000 -1.20000 AFIX 0 C7B 1 0.383321 0.025505 0.524855 11.00000 0.01990 0.02037 = 0.01937 -0.00414 -0.00346 0.00035 AFIX 43 H7B 2 0.405633 0.058671 0.574731 11.00000 -1.20000 AFIX 0 C8B 1 0.327975 -0.065472 0.531034 11.00000 0.02089 0.02484 = 0.01870 -0.00135 0.00189 0.00038 C9B 1 0.292599 -0.108461 0.458642 11.00000 0.02679 0.03774 = 0.02268 -0.00253 0.00096 -0.01345 AFIX 43 H9B 2 0.252897 -0.166422 0.463589 11.00000 -1.20000 AFIX 0 C10B 1 0.315042 -0.067111 0.379685 11.00000 0.02628 0.03971 = 0.01969 -0.00353 -0.00109 -0.01157 AFIX 43 H10B 2 0.290331 -0.096502 0.330455 11.00000 -1.20000 AFIX 0 C11B 1 0.469380 0.185201 0.055808 11.00000 0.02059 0.01957 = 0.02572 0.00073 0.00524 0.00188 C12B 1 0.425321 0.155133 -0.021412 11.00000 0.02691 0.01363 = 0.02576 0.00277 0.00409 0.00129 C13B 1 0.351316 0.142231 -0.019011 11.00000 0.02643 0.01942 = 0.03107 -0.00210 0.00353 0.00110 AFIX 43 H13B 2 0.327087 0.142772 0.034009 11.00000 -1.20000 AFIX 0 C14B 1 0.313137 0.128615 -0.094072 11.00000 0.02996 0.02204 = 0.03976 -0.00512 -0.00130 -0.00118 AFIX 43 H14B 2 0.262847 0.118875 -0.091983 11.00000 -1.20000 AFIX 0 C15B 1 0.347321 0.129063 -0.171547 11.00000 0.04523 0.01939 = 0.03194 -0.00558 -0.00794 0.00126 AFIX 43 H15B 2 0.320685 0.120065 -0.222572 11.00000 -1.20000 AFIX 0 C16B 1 0.421023 0.142744 -0.174817 11.00000 0.04567 0.01851 = 0.02565 -0.00009 0.00561 0.00270 AFIX 43 H16B 2 0.444836 0.143404 -0.228106 11.00000 -1.20000 AFIX 0 C17B 1 0.459555 0.155391 -0.100181 11.00000 0.02994 0.01799 = 0.02892 0.00249 0.00654 0.00433 AFIX 43 H17B 2 0.509876 0.164349 -0.102622 11.00000 -1.20000 AFIX 0 HKLF 4 1 0 0 1 1 0 0 0 1 0 REM c22007 : space group Pna2(1) REM wR2 = 0.0748, GooF = S = 1.042, Restrained GooF = 1.042 for all data REM R1 = 0.0279 for 5575 Fo > 4sig(Fo) and 0.0286 for all 5684 data REM 416 parameters refined using 1 restraints END WGHT 0.0371 0.6857 REM Highest difference peak 0.178, deepest hole -0.155, 1-sigma level 0.033 Q1 1 0.4457 0.1753 0.0174 11.00000 0.05 0.18 Q2 1 0.3435 -0.0146 0.3754 11.00000 0.05 0.18 Q3 1 0.7090 0.6128 0.9988 11.00000 0.05 0.17 Q4 1 0.3473 -0.0062 0.5327 11.00000 0.05 0.15 Q5 1 0.5610 0.3530 0.5170 11.00000 0.05 0.15 Q6 1 0.6856 0.6618 0.9995 11.00000 0.05 0.15 Q7 1 0.4350 0.0828 0.2839 11.00000 0.05 0.14 Q8 1 0.5624 0.3576 0.6051 11.00000 0.05 0.14 Q9 1 0.3825 0.0487 0.4041 11.00000 0.05 0.14 Q10 1 0.6314 0.4976 0.7570 11.00000 0.05 0.14 Q11 1 0.5832 0.4428 0.7875 11.00000 0.05 0.13 Q12 1 0.3668 -0.0663 0.5330 11.00000 0.05 0.13 Q13 1 0.5508 0.1621 0.0425 11.00000 0.05 0.13 Q14 1 0.3219 -0.1367 0.4971 11.00000 0.05 0.13 Q15 1 0.3012 -0.0647 0.4993 11.00000 0.05 0.13 Q16 1 0.6798 0.5407 0.8736 11.00000 0.05 0.13 Q17 1 0.3859 0.0122 0.1744 11.00000 0.05 0.13 Q18 1 0.2648 -0.2183 0.4668 11.00000 0.05 0.12 Q19 1 0.7000 0.6240 1.0541 11.00000 0.05 0.12 Q20 1 0.6517 0.6015 1.0335 11.00000 0.05 0.12 ; _shelx_res_checksum 22065 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O O1A 0.49268(7) 0.25685(14) 0.56553(9) 0.0244(3) Uani d 1 . . O O2A 0.68624(9) 0.60163(17) 1.17477(10) 0.0361(4) Uani d 1 . . O O3A 0.76060(9) 0.73323(17) 1.11319(11) 0.0414(4) Uani d 1 . . N N1A 0.55858(8) 0.41895(16) 0.62597(10) 0.0210(3) Uani d 1 . . N N2A 0.61000(8) 0.49591(17) 0.78914(10) 0.0195(3) Uani d 1 . . N N3A 0.71215(9) 0.65057(17) 1.11034(11) 0.0261(4) Uani d 1 . . C C1A 0.62179(10) 0.5034(2) 0.63281(12) 0.0214(4) Uani d 1 . . H H1AA 0.607617 0.597868 0.628176 0.026 Uiso calc 1 . . H H1AB 0.654911 0.483266 0.585577 0.026 Uiso calc 1 . . C C2A 0.65919(10) 0.48038(19) 0.71744(12) 0.0207(4) Uani d 1 . . H H2AA 0.679576 0.389723 0.718316 0.025 Uiso calc 1 . . H H2AB 0.698868 0.544445 0.723448 0.025 Uiso calc 1 . . C C3A 0.55049(10) 0.4032(2) 0.78203(12) 0.0210(4) Uani d 1 . . H H3AA 0.517626 0.415436 0.830622 0.025 Uiso calc 1 . . H H3AB 0.568435 0.310825 0.783299 0.025 Uiso calc 1 . . C C4A 0.51124(10) 0.4282(2) 0.69932(12) 0.0226(4) Uani d 1 . . H H4AA 0.472393 0.362465 0.693253 0.027 Uiso calc 1 . . H H4AB 0.489499 0.517774 0.700923 0.027 Uiso calc 1 . . C C5A 0.63650(10) 0.52962(18) 0.86888(12) 0.0185(4) Uani d 1 . . C C6A 0.61095(10) 0.4696(2) 0.94373(13) 0.0212(4) Uani d 1 . . H H6A 0.576303 0.401156 0.939965 0.025 Uiso calc 1 . . C C7A 0.63554(10) 0.5089(2) 1.02259(13) 0.0224(4) Uani d 1 . . H H7A 0.618067 0.467679 1.072742 0.027 Uiso calc 1 . . C C8A 0.68595(10) 0.6092(2) 1.02784(13) 0.0210(4) Uani d 1 . . C C9A 0.71253(10) 0.67057(19) 0.95518(13) 0.0204(4) Uani d 1 . . H H9A 0.746997 0.739266 0.959720 0.025 Uiso calc 1 . . C C10A 0.68827(10) 0.63056(19) 0.87663(12) 0.0196(4) Uani d 1 . . H H10A 0.706667 0.671542 0.826856 0.024 Uiso calc 1 . . C C11A 0.54106(10) 0.33847(18) 0.55996(12) 0.0193(4) Uani d 1 . . C C12A 0.58053(10) 0.35251(18) 0.47737(12) 0.0192(4) Uani d 1 . . C C13A 0.59294(11) 0.47549(19) 0.43979(13) 0.0217(4) Uani d 1 . . H H13A 0.580037 0.554491 0.468986 0.026 Uiso calc 1 . . C C14A 0.62417(11) 0.4834(2) 0.35964(13) 0.0248(4) Uani d 1 . . H H14A 0.632511 0.567619 0.334269 0.030 Uiso calc 1 . . C C15A 0.64312(11) 0.3679(2) 0.31679(13) 0.0245(4) Uani d 1 . . H H15A 0.664928 0.373155 0.262397 0.029 Uiso calc 1 . . C C16A 0.63020(10) 0.24515(19) 0.35343(12) 0.0235(4) Uani d 1 . . H H16A 0.643110 0.166306 0.324057 0.028 Uiso calc 1 . . C C17A 0.59843(10) 0.23706(19) 0.43299(12) 0.0216(4) Uani d 1 . . H H17A 0.588821 0.152610 0.457348 0.026 Uiso calc 1 . . O O1B 0.51435(8) 0.27356(15) 0.05162(9) 0.0293(3) Uani d 1 . . O O2B 0.33405(8) -0.06911(15) 0.67739(9) 0.0282(3) Uani d 1 . . O O3B 0.26109(8) -0.20433(15) 0.61629(10) 0.0329(4) Uani d 1 . . N N1B 0.45677(9) 0.11868(16) 0.12905(11) 0.0228(4) Uani d 1 . . N N2B 0.40172(9) 0.04918(17) 0.29159(10) 0.0217(3) Uani d 1 . . N N3B 0.30667(8) -0.11612(16) 0.61295(11) 0.0224(3) Uani d 1 . . C C1B 0.41561(12) -0.0033(2) 0.14059(13) 0.0253(4) Uani d 1 . . H H1BA 0.448370 -0.078227 0.151953 0.030 Uiso calc 1 . . H H1BB 0.388941 -0.023286 0.087827 0.030 Uiso calc 1 . . C C2B 0.36400(11) 0.0112(2) 0.21386(13) 0.0234(4) Uani d 1 . . H H2BA 0.328046 0.079722 0.199825 0.028 Uiso calc 1 . . H H2BB 0.338820 -0.073922 0.223114 0.028 Uiso calc 1 . . C C3B 0.44607(11) 0.1676(2) 0.28017(13) 0.0233(4) Uani d 1 . . H H3BA 0.473969 0.183527 0.332597 0.028 Uiso calc 1 . . H H3BB 0.415063 0.245682 0.270653 0.028 Uiso calc 1 . . C C4B 0.49644(10) 0.1524(2) 0.20567(13) 0.0250(4) Uani d 1 . . H H4BA 0.522715 0.236492 0.196672 0.030 Uiso calc 1 . . H H4BB 0.531553 0.081701 0.218093 0.030 Uiso calc 1 . . C C5B 0.37409(10) 0.01813(18) 0.37065(13) 0.0188(4) Uani d 1 . . C C6B 0.40552(10) 0.06711(19) 0.44607(13) 0.0217(4) Uani d 1 . . H H6B 0.442914 0.130351 0.442141 0.026 Uiso calc 1 . . C C7B 0.38332(10) 0.02550(19) 0.52486(13) 0.0199(4) Uani d 1 . . H H7B 0.405633 0.058671 0.574731 0.024 Uiso calc 1 . . C C8B 0.32797(10) -0.0655(2) 0.53103(13) 0.0215(4) Uani d 1 . . C C9B 0.29260(11) -0.1085(2) 0.45864(14) 0.0291(5) Uani d 1 . . H H9B 0.252897 -0.166422 0.463589 0.035 Uiso calc 1 . . C C10B 0.31504(11) -0.0671(2) 0.37969(13) 0.0286(5) Uani d 1 . . H H10B 0.290331 -0.096502 0.330455 0.034 Uiso calc 1 . . C C11B 0.46938(10) 0.1852(2) 0.05581(13) 0.0220(4) Uani d 1 . . C C12B 0.42532(10) 0.15513(18) -0.02141(13) 0.0221(4) Uani d 1 . . C C13B 0.35132(11) 0.14223(19) -0.01901(14) 0.0256(4) Uani d 1 . . H H13B 0.327087 0.142772 0.034009 0.031 Uiso calc 1 . . C C14B 0.31314(12) 0.1286(2) -0.09407(15) 0.0306(5) Uani d 1 . . H H14B 0.262847 0.118875 -0.091983 0.037 Uiso calc 1 . . C C15B 0.34732(13) 0.1291(2) -0.17155(15) 0.0322(5) Uani d 1 . . H H15B 0.320685 0.120065 -0.222572 0.039 Uiso calc 1 . . C C16B 0.42102(13) 0.1427(2) -0.17482(14) 0.0299(5) Uani d 1 . . H H16B 0.444836 0.143404 -0.228106 0.036 Uiso calc 1 . . C C17B 0.45955(11) 0.15539(19) -0.10018(14) 0.0256(4) Uani d 1 . . H H17B 0.509876 0.164349 -0.102622 0.031 Uiso calc 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1A 0.0266(7) 0.0212(7) 0.0255(7) -0.0069(5) -0.0025(6) -0.0020(6) O2A 0.0437(9) 0.0473(10) 0.0173(7) -0.0087(7) -0.0004(7) -0.0012(7) O3A 0.0493(9) 0.0485(10) 0.0263(8) -0.0226(8) -0.0077(8) -0.0045(8) N1A 0.0202(8) 0.0234(8) 0.0195(8) -0.0048(6) 0.0003(6) -0.0035(7) N2A 0.0180(7) 0.0237(9) 0.0169(8) -0.0036(6) 0.0013(6) -0.0035(6) N3A 0.0289(8) 0.0304(9) 0.0189(8) -0.0013(7) -0.0027(7) -0.0021(7) C1A 0.0228(9) 0.0241(10) 0.0173(10) -0.0060(7) 0.0006(7) -0.0028(7) C2A 0.0190(9) 0.0244(9) 0.0188(10) -0.0021(7) 0.0013(7) -0.0036(8) C3A 0.0188(8) 0.0249(10) 0.0194(9) -0.0062(7) 0.0018(7) -0.0022(8) C4A 0.0193(9) 0.0273(10) 0.0213(10) -0.0036(7) 0.0013(8) -0.0043(8) C5A 0.0170(8) 0.0199(9) 0.0185(9) 0.0025(7) 0.0000(7) -0.0021(7) C6A 0.0198(9) 0.0218(9) 0.0219(10) -0.0022(7) 0.0009(8) -0.0001(8) C7A 0.0235(9) 0.0255(10) 0.0183(9) 0.0000(8) 0.0033(8) 0.0008(8) C8A 0.0212(9) 0.0243(10) 0.0175(9) 0.0027(7) -0.0005(7) -0.0035(8) C9A 0.0181(8) 0.0200(9) 0.0232(10) -0.0010(7) -0.0013(8) -0.0019(8) C10A 0.0194(9) 0.0213(9) 0.0182(9) 0.0004(7) 0.0018(7) 0.0008(7) C11A 0.0215(9) 0.0170(9) 0.0193(9) 0.0016(7) -0.0053(7) 0.0004(7) C12A 0.0206(9) 0.0187(9) 0.0183(9) 0.0000(7) -0.0064(7) -0.0027(7) C13A 0.0262(9) 0.0198(9) 0.0192(9) 0.0008(7) -0.0034(8) -0.0007(7) C14A 0.0270(10) 0.0231(10) 0.0243(11) -0.0019(8) -0.0061(8) 0.0034(8) C15A 0.0224(10) 0.0327(11) 0.0185(10) 0.0009(8) -0.0033(7) -0.0007(8) C16A 0.0233(9) 0.0255(10) 0.0218(11) 0.0043(8) -0.0047(8) -0.0055(8) C17A 0.0244(9) 0.0188(9) 0.0215(10) 0.0008(7) -0.0058(7) -0.0001(7) O1B 0.0278(7) 0.0310(8) 0.0290(8) -0.0081(6) 0.0022(6) 0.0076(6) O2B 0.0288(7) 0.0390(8) 0.0169(7) -0.0015(6) -0.0034(6) -0.0029(6) O3B 0.0366(8) 0.0368(8) 0.0255(8) -0.0143(7) 0.0050(7) -0.0004(7) N1B 0.0261(8) 0.0203(8) 0.0221(9) -0.0031(7) 0.0031(6) 0.0008(7) N2B 0.0228(8) 0.0239(8) 0.0183(8) -0.0061(7) -0.0002(6) -0.0008(6) N3B 0.0220(7) 0.0263(8) 0.0189(8) 0.0012(6) 0.0009(7) -0.0011(7) C1B 0.0353(11) 0.0183(9) 0.0224(10) -0.0035(8) 0.0039(8) -0.0009(7) C2B 0.0285(10) 0.0240(10) 0.0176(10) -0.0089(8) 0.0001(8) -0.0007(8) C3B 0.0253(9) 0.0245(10) 0.0203(10) -0.0070(8) 0.0000(8) -0.0004(8) C4B 0.0220(9) 0.0263(10) 0.0266(11) -0.0026(7) -0.0001(8) 0.0035(8) C5B 0.0186(9) 0.0188(9) 0.0189(9) 0.0028(7) -0.0006(7) -0.0011(7) C6B 0.0200(8) 0.0214(9) 0.0236(9) -0.0025(7) -0.0005(8) -0.0024(8) C7B 0.0199(9) 0.0204(10) 0.0194(9) 0.0003(7) -0.0035(7) -0.0041(7) C8B 0.0209(9) 0.0248(10) 0.0187(9) 0.0004(8) 0.0019(7) -0.0014(8) C9B 0.0268(10) 0.0377(12) 0.0227(10) -0.0135(9) 0.0010(9) -0.0025(9) C10B 0.0263(10) 0.0397(12) 0.0197(10) -0.0116(9) -0.0011(8) -0.0035(9) C11B 0.0206(9) 0.0196(9) 0.0257(10) 0.0019(7) 0.0052(8) 0.0007(8) C12B 0.0269(10) 0.0136(9) 0.0258(10) 0.0013(7) 0.0041(8) 0.0028(7) C13B 0.0264(10) 0.0194(10) 0.0311(12) 0.0011(8) 0.0035(8) -0.0021(8) C14B 0.0300(11) 0.0220(10) 0.0398(12) -0.0012(8) -0.0013(10) -0.0051(9) C15B 0.0452(13) 0.0194(10) 0.0319(12) 0.0013(9) -0.0079(10) -0.0056(9) C16B 0.0457(13) 0.0185(10) 0.0256(11) 0.0027(8) 0.0056(9) -0.0001(8) C17B 0.0299(10) 0.0180(9) 0.0289(11) 0.0043(8) 0.0065(9) 0.0025(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C11A N1A C4A . . 119.69(15) ? C11A N1A C1A . . 126.84(16) ? C4A N1A C1A . . 113.47(15) ? C5A N2A C3A . . 119.91(16) ? C5A N2A C2A . . 119.61(16) ? C3A N2A C2A . . 110.80(15) ? O2A N3A O3A . . 122.22(18) ? O2A N3A C8A . . 119.29(16) ? O3A N3A C8A . . 118.49(17) ? N1A C1A C2A . . 110.46(16) ? N1A C1A H1AA . . 109.6 ? C2A C1A H1AA . . 109.6 ? N1A C1A H1AB . . 109.6 ? C2A C1A H1AB . . 109.6 ? H1AA C1A H1AB . . 108.1 ? N2A C2A C1A . . 111.44(16) ? N2A C2A H2AA . . 109.3 ? C1A C2A H2AA . . 109.3 ? N2A C2A H2AB . . 109.3 ? C1A C2A H2AB . . 109.3 ? H2AA C2A H2AB . . 108.0 ? N2A C3A C4A . . 109.37(16) ? N2A C3A H3AA . . 109.8 ? C4A C3A H3AA . . 109.8 ? N2A C3A H3AB . . 109.8 ? C4A C3A H3AB . . 109.8 ? H3AA C3A H3AB . . 108.2 ? N1A C4A C3A . . 111.81(15) ? N1A C4A H4AA . . 109.3 ? C3A C4A H4AA . . 109.3 ? N1A C4A H4AB . . 109.3 ? C3A C4A H4AB . . 109.3 ? H4AA C4A H4AB . . 107.9 ? N2A C5A C6A . . 121.83(17) ? N2A C5A C10A . . 119.99(17) ? C6A C5A C10A . . 118.13(17) ? C7A C6A C5A . . 120.95(17) ? C7A C6A H6A . . 119.5 ? C5A C6A H6A . . 119.5 ? C6A C7A C8A . . 119.36(19) ? C6A C7A H7A . . 120.3 ? C8A C7A H7A . . 120.3 ? C7A C8A C9A . . 121.29(19) ? C7A C8A N3A . . 119.65(18) ? C9A C8A N3A . . 119.06(17) ? C10A C9A C8A . . 119.21(17) ? C10A C9A H9A . . 120.4 ? C8A C9A H9A . . 120.4 ? C9A C10A C5A . . 121.06(18) ? C9A C10A H10A . . 119.5 ? C5A C10A H10A . . 119.5 ? O1A C11A N1A . . 121.61(18) ? O1A C11A C12A . . 119.32(17) ? N1A C11A C12A . . 119.05(16) ? C13A C12A C17A . . 119.19(18) ? C13A C12A C11A . . 122.26(17) ? C17A C12A C11A . . 118.19(16) ? C12A C13A C14A . . 120.40(18) ? C12A C13A H13A . . 119.8 ? C14A C13A H13A . . 119.8 ? C15A C14A C13A . . 119.89(19) ? C15A C14A H14A . . 120.1 ? C13A C14A H14A . . 120.1 ? C16A C15A C14A . . 120.00(18) ? C16A C15A H15A . . 120.0 ? C14A C15A H15A . . 120.0 ? C15A C16A C17A . . 120.16(18) ? C15A C16A H16A . . 119.9 ? C17A C16A H16A . . 119.9 ? C16A C17A C12A . . 120.32(18) ? C16A C17A H17A . . 119.8 ? C12A C17A H17A . . 119.8 ? C11B N1B C4B . . 119.94(16) ? C11B N1B C1B . . 127.86(17) ? C4B N1B C1B . . 111.31(16) ? C5B N2B C2B . . 120.68(15) ? C5B N2B C3B . . 120.49(16) ? C2B N2B C3B . . 112.64(16) ? O2B N3B O3B . . 122.08(17) ? O2B N3B C8B . . 118.93(15) ? O3B N3B C8B . . 118.99(17) ? N1B C1B C2B . . 110.61(16) ? N1B C1B H1BA . . 109.5 ? C2B C1B H1BA . . 109.5 ? N1B C1B H1BB . . 109.5 ? C2B C1B H1BB . . 109.5 ? H1BA C1B H1BB . . 108.1 ? N2B C2B C1B . . 110.58(16) ? N2B C2B H2BA . . 109.5 ? C1B C2B H2BA . . 109.5 ? N2B C2B H2BB . . 109.5 ? C1B C2B H2BB . . 109.5 ? H2BA C2B H2BB . . 108.1 ? N2B C3B C4B . . 111.59(17) ? N2B C3B H3BA . . 109.3 ? C4B C3B H3BA . . 109.3 ? N2B C3B H3BB . . 109.3 ? C4B C3B H3BB . . 109.3 ? H3BA C3B H3BB . . 108.0 ? N1B C4B C3B . . 110.14(16) ? N1B C4B H4BA . . 109.6 ? C3B C4B H4BA . . 109.6 ? N1B C4B H4BB . . 109.6 ? C3B C4B H4BB . . 109.6 ? H4BA C4B H4BB . . 108.1 ? N2B C5B C10B . . 121.57(18) ? N2B C5B C6B . . 121.25(16) ? C10B C5B C6B . . 117.15(18) ? C7B C6B C5B . . 121.61(17) ? C7B C6B H6B . . 119.2 ? C5B C6B H6B . . 119.2 ? C6B C7B C8B . . 119.45(18) ? C6B C7B H7B . . 120.3 ? C8B C7B H7B . . 120.3 ? C9B C8B C7B . . 120.44(19) ? C9B C8B N3B . . 119.34(17) ? C7B C8B N3B . . 120.22(17) ? C10B C9B C8B . . 119.97(18) ? C10B C9B H9B . . 120.0 ? C8B C9B H9B . . 120.0 ? C9B C10B C5B . . 121.08(19) ? C9B C10B H10B . . 119.5 ? C5B C10B H10B . . 119.5 ? O1B C11B N1B . . 121.63(19) ? O1B C11B C12B . . 118.80(18) ? N1B C11B C12B . . 119.51(17) ? C17B C12B C13B . . 118.9(2) ? C17B C12B C11B . . 117.66(17) ? C13B C12B C11B . . 123.07(18) ? C14B C13B C12B . . 120.0(2) ? C14B C13B H13B . . 120.0 ? C12B C13B H13B . . 120.0 ? C15B C14B C13B . . 120.76(19) ? C15B C14B H14B . . 119.6 ? C13B C14B H14B . . 119.6 ? C14B C15B C16B . . 119.8(2) ? C14B C15B H15B . . 120.1 ? C16B C15B H15B . . 120.1 ? C17B C16B C15B . . 119.8(2) ? C17B C16B H16B . . 120.1 ? C15B C16B H16B . . 120.1 ? C16B C17B C12B . . 120.77(19) ? C16B C17B H17B . . 119.6 ? C12B C17B H17B . . 119.6 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1A C11A . 1.228(2) ? O2A N3A . 1.228(2) ? O3A N3A . 1.234(2) ? N1A C11A . 1.358(2) ? N1A C4A . 1.459(2) ? N1A C1A . 1.464(2) ? N2A C5A . 1.391(2) ? N2A C3A . 1.460(2) ? N2A C2A . 1.466(2) ? N3A C8A . 1.449(3) ? C1A C2A . 1.523(3) ? C1A H1AA . 0.9900 ? C1A H1AB . 0.9900 ? C2A H2AA . 0.9900 ? C2A H2AB . 0.9900 ? C3A C4A . 1.516(3) ? C3A H3AA . 0.9900 ? C3A H3AB . 0.9900 ? C4A H4AA . 0.9900 ? C4A H4AB . 0.9900 ? C5A C6A . 1.407(3) ? C5A C10A . 1.412(3) ? C6A C7A . 1.381(3) ? C6A H6A . 0.9500 ? C7A C8A . 1.386(3) ? C7A H7A . 0.9500 ? C8A C9A . 1.392(3) ? C9A C10A . 1.377(3) ? C9A H9A . 0.9500 ? C10A H10A . 0.9500 ? C11A C12A . 1.502(3) ? C12A C13A . 1.392(3) ? C12A C17A . 1.397(3) ? C13A C14A . 1.393(3) ? C13A H13A . 0.9500 ? C14A C15A . 1.391(3) ? C14A H14A . 0.9500 ? C15A C16A . 1.385(3) ? C15A H15A . 0.9500 ? C16A C17A . 1.389(3) ? C16A H16A . 0.9500 ? C17A H17A . 0.9500 ? O1B C11B . 1.228(2) ? O2B N3B . 1.231(2) ? O3B N3B . 1.235(2) ? N1B C11B . 1.354(3) ? N1B C4B . 1.457(3) ? N1B C1B . 1.462(2) ? N2B C5B . 1.383(3) ? N2B C2B . 1.464(2) ? N2B C3B . 1.465(2) ? N3B C8B . 1.442(3) ? C1B C2B . 1.513(3) ? C1B H1BA . 0.9900 ? C1B H1BB . 0.9900 ? C2B H2BA . 0.9900 ? C2B H2BB . 0.9900 ? C3B C4B . 1.514(3) ? C3B H3BA . 0.9900 ? C3B H3BB . 0.9900 ? C4B H4BA . 0.9900 ? C4B H4BB . 0.9900 ? C5B C10B . 1.409(3) ? C5B C6B . 1.414(3) ? C6B C7B . 1.373(3) ? C6B H6B . 0.9500 ? C7B C8B . 1.389(3) ? C7B H7B . 0.9500 ? C8B C9B . 1.388(3) ? C9B C10B . 1.376(3) ? C9B H9B . 0.9500 ? C10B H10B . 0.9500 ? C11B C12B . 1.500(3) ? C12B C17B . 1.396(3) ? C12B C13B . 1.396(3) ? C13B C14B . 1.388(3) ? C13B H13B . 0.9500 ? C14B C15B . 1.377(3) ? C14B H14B . 0.9500 ? C15B C16B . 1.392(4) ? C15B H15B . 0.9500 ? C16B C17B . 1.385(3) ? C16B H16B . 0.9500 ? C17B H17B . 0.9500 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag C6B H6B O1A . 0.95 2.50 3.140(2) 124.5 no C7B H7B O1A . 0.95 2.58 3.171(2) 120.3 no C6A H6A O1B 1_556 0.95 2.47 3.173(2) 131.0 no C7A H7A O1B 1_556 0.95 2.78 3.317(2) 116.8 no 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag C11A N1A C1A C2A . . . . -129.76(19) ? C4A N1A C1A C2A . . . . 51.1(2) ? C5A N2A C2A C1A . . . . -155.27(17) ? C3A N2A C2A C1A . . . . 58.7(2) ? N1A C1A C2A N2A . . . . -53.4(2) ? C5A N2A C3A C4A . . . . 155.04(17) ? C2A N2A C3A C4A . . . . -59.0(2) ? C11A N1A C4A C3A . . . . 127.48(18) ? C1A N1A C4A C3A . . . . -53.3(2) ? N2A C3A C4A N1A . . . . 56.2(2) ? C3A N2A C5A C6A . . . . 4.6(3) ? C2A N2A C5A C6A . . . . -138.34(19) ? C3A N2A C5A C10A . . . . -172.59(16) ? C2A N2A C5A C10A . . . . 44.4(3) ? N2A C5A C6A C7A . . . . -176.91(18) ? C10A C5A C6A C7A . . . . 0.4(3) ? C5A C6A C7A C8A . . . . 0.2(3) ? C6A C7A C8A C9A . . . . -0.3(3) ? C6A C7A C8A N3A . . . . -179.79(17) ? O2A N3A C8A C7A . . . . -4.2(3) ? O3A N3A C8A C7A . . . . 174.95(19) ? O2A N3A C8A C9A . . . . 176.25(18) ? O3A N3A C8A C9A . . . . -4.6(3) ? C7A C8A C9A C10A . . . . -0.1(3) ? N3A C8A C9A C10A . . . . 179.36(17) ? C8A C9A C10A C5A . . . . 0.7(3) ? N2A C5A C10A C9A . . . . 176.52(17) ? C6A C5A C10A C9A . . . . -0.8(3) ? C4A N1A C11A O1A . . . . -12.0(3) ? C1A N1A C11A O1A . . . . 168.91(18) ? C4A N1A C11A C12A . . . . 166.20(16) ? C1A N1A C11A C12A . . . . -12.9(3) ? O1A C11A C12A C13A . . . . 131.5(2) ? N1A C11A C12A C13A . . . . -46.8(3) ? O1A C11A C12A C17A . . . . -41.6(2) ? N1A C11A C12A C17A . . . . 140.11(18) ? C17A C12A C13A C14A . . . . -1.3(3) ? C11A C12A C13A C14A . . . . -174.32(17) ? C12A C13A C14A C15A . . . . 0.0(3) ? C13A C14A C15A C16A . . . . 0.7(3) ? C14A C15A C16A C17A . . . . -0.1(3) ? C15A C16A C17A C12A . . . . -1.2(3) ? C13A C12A C17A C16A . . . . 1.9(3) ? C11A C12A C17A C16A . . . . 175.23(16) ? C11B N1B C1B C2B . . . . -132.2(2) ? C4B N1B C1B C2B . . . . 58.7(2) ? C5B N2B C2B C1B . . . . -154.05(17) ? C3B N2B C2B C1B . . . . 53.5(2) ? N1B C1B C2B N2B . . . . -55.6(2) ? C5B N2B C3B C4B . . . . 154.12(18) ? C2B N2B C3B C4B . . . . -53.3(2) ? C11B N1B C4B C3B . . . . 132.20(19) ? C1B N1B C4B C3B . . . . -57.7(2) ? N2B C3B C4B N1B . . . . 54.6(2) ? C2B N2B C5B C10B . . . . 9.5(3) ? C3B N2B C5B C10B . . . . 159.88(19) ? C2B N2B C5B C6B . . . . -172.66(17) ? C3B N2B C5B C6B . . . . -22.3(3) ? N2B C5B C6B C7B . . . . -172.84(18) ? C10B C5B C6B C7B . . . . 5.0(3) ? C5B C6B C7B C8B . . . . -0.9(3) ? C6B C7B C8B C9B . . . . -3.6(3) ? C6B C7B C8B N3B . . . . 176.42(17) ? O2B N3B C8B C9B . . . . -173.79(18) ? O3B N3B C8B C9B . . . . 5.5(3) ? O2B N3B C8B C7B . . . . 6.2(3) ? O3B N3B C8B C7B . . . . -174.52(18) ? C7B C8B C9B C10B . . . . 3.9(3) ? N3B C8B C9B C10B . . . . -176.2(2) ? C8B C9B C10B C5B . . . . 0.4(3) ? N2B C5B C10B C9B . . . . 173.1(2) ? C6B C5B C10B C9B . . . . -4.8(3) ? C4B N1B C11B O1B . . . . 0.7(3) ? C1B N1B C11B O1B . . . . -167.5(2) ? C4B N1B C11B C12B . . . . -176.48(16) ? C1B N1B C11B C12B . . . . 15.3(3) ? O1B C11B C12B C17B . . . . 40.6(3) ? N1B C11B C12B C17B . . . . -142.11(18) ? O1B C11B C12B C13B . . . . -131.9(2) ? N1B C11B C12B C13B . . . . 45.4(3) ? C17B C12B C13B C14B . . . . 0.6(3) ? C11B C12B C13B C14B . . . . 173.05(18) ? C12B C13B C14B C15B . . . . -0.7(3) ? C13B C14B C15B C16B . . . . 0.3(3) ? C14B C15B C16B C17B . . . . 0.2(3) ? C15B C16B C17B C12B . . . . -0.3(3) ? C13B C12B C17B C16B . . . . -0.2(3) ? C11B C12B C17B C16B . . . . -172.98(18) ? _cod_database_fobs_code 2244178