#------------------------------------------------------------------------------ #$Date: 2023-09-15 00:57:31 +0300 (Fri, 15 Sep 2023) $ #$Revision: 286340 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/13/21/7132137.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7132137 loop_ _publ_author_name 'Horvath, Mikayla L.' 'Jumbelic, Caylee E.' 'Burynski, Rosemarie A.' 'Mistrot, M. Brody' 'Pike, Robert D.' 'Smith, Brian J.' 'Arslan, Hasan' _publ_section_title ; Rapid single crystal growth via guest displacement from host-guest complexes. ; _journal_name_full 'Chemical communications (Cambridge, England)' _journal_paper_doi 10.1039/d3cc03406b _journal_year 2023 _chemical_formula_moiety 'C48 H40 N4, C36 H36 N2, 4(F6 P), 10(C2 H3 N)' _chemical_formula_sum 'C104 H106 F24 N16 P4' _chemical_formula_weight 2159.92 _chemical_name_systematic '9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(hexafluorophosphate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-(4-(tert-butyl)phenyl)methanimine) acetonitrile solvate' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2018/3 _audit_update_record ; 2023-07-13 deposited with the CCDC. 2023-08-22 downloaded from the CCDC. ; _cell_angle_alpha 68.0780(10) _cell_angle_beta 72.5220(10) _cell_angle_gamma 89.7170(10) _cell_formula_units_Z 2 _cell_length_a 14.4346(2) _cell_length_b 19.1010(3) _cell_length_c 21.5810(4) _cell_measurement_reflns_used 9523 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 71.65 _cell_measurement_theta_min 2.33 _cell_volume 5226.35(16) _computing_cell_refinement 'SAINTPLUS (Bruker AXS, 2004)' _computing_data_reduction SAINTPLUS _computing_molecular_graphics 'SHELXLE (Hubschle, 2011)' _computing_publication_material 'Mercury 3.7 (CCDC, 2016)' _computing_structure_refinement 'SHELXL-2014/5 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.965 _diffrn_measured_fraction_theta_max 0.948 _diffrn_measurement_device_type 'Bruker SMART APEX II CCD' _diffrn_measurement_method '\w and \y' _diffrn_radiation_monochromator 'multi-layer optics' _diffrn_radiation_source Imus _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.0486 _diffrn_reflns_av_unetI/netI 0.0448 _diffrn_reflns_Laue_measured_fraction_full 0.965 _diffrn_reflns_Laue_measured_fraction_max 0.948 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 98716 _diffrn_reflns_point_group_measured_fraction_full 0.965 _diffrn_reflns_point_group_measured_fraction_max 0.948 _diffrn_reflns_theta_full 67.679 _diffrn_reflns_theta_max 71.862 _diffrn_reflns_theta_min 2.331 _exptl_absorpt_coefficient_mu 1.518 _exptl_absorpt_correction_T_max 0.5919 _exptl_absorpt_correction_T_min 0.4039 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details 'SADABS (Sheldrick, 2004)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 1.373 _exptl_crystal_description block _exptl_crystal_F_000 2236 _exptl_crystal_recrystallization_method 'Re-crystallisation from solvent' _exptl_crystal_size_max 0.420 _exptl_crystal_size_mid 0.360 _exptl_crystal_size_min 0.320 _refine_diff_density_max 0.966 _refine_diff_density_min -0.856 _refine_diff_density_rms 0.147 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.078 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1506 _refine_ls_number_reflns 19450 _refine_ls_number_restraints 18 _refine_ls_restrained_S_all 1.136 _refine_ls_R_factor_all 0.1028 _refine_ls_R_factor_gt 0.0973 _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^)+(0.1915P)^2^+5.1486P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2651 _refine_ls_wR_factor_ref 0.2751 _reflns_Friedel_coverage 0.000 _reflns_number_gt 17363 _reflns_number_total 19450 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d3cc03406b3.cif _cod_data_source_block cu_Arslan020_0m_a _cod_original_cell_volume 5226.35(15) _cod_database_code 7132137 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.568 _shelx_estimated_absorpt_t_max 0.642 _shelx_res_file ; TITL cu_Arslan020_0m_a.res in P-1 cu_Arslan020_0m_a.res created by SHELXL-2018/3 at 15:08:37 on 12-May-2023 REM Old TITL cu_Arslan020_0m in P-1 REM SHELXT solution in P-1 REM R1 0.234, Rweak 0.008, Alpha 0.067, Orientation as input REM Formula found by SHELXT: C109 F18 N19 P4 CELL 1.54178 14.4346 19.1010 21.5810 68.078 72.522 89.717 ZERR 2.000 0.0002 0.0003 0.0004 0.001 0.001 0.001 LATT 1 SFAC C H F N P UNIT 208 212 48 32 8 TEMP -173.000 SIZE 0.32 0.36 0.42 L.S. 50 BOND $H LIST 4 CONF EXYZ C11A C11B EADP C11A C11B EXYZ C12A C12B EADP C12A C12B EADP F7A F7B EADP F8A F8B EADP F9A F9B EADP F11A F11B HTAB ACTA FMAP 2 PLAN 5 WGHT 0.191500 5.148600 FVAR 0.18341 0.55030 0.88576 0.65017 0.47745 0.59415 N1 4 0.456741 0.174854 0.267884 11.00000 0.03959 0.01370 = 0.01714 -0.00491 -0.01002 0.00329 N2 4 0.379746 0.798422 0.057189 11.00000 0.03753 0.01428 = 0.01859 -0.00689 -0.00647 0.00249 N3 4 0.592179 0.192997 0.454043 11.00000 0.03322 0.01647 = 0.01906 -0.00650 -0.00757 0.00654 N4 4 0.555547 0.824723 0.225690 11.00000 0.03746 0.01332 = 0.01718 -0.00521 -0.00850 0.00333 N5 4 0.236148 0.519923 0.073800 11.00000 0.02976 0.03315 = 0.02348 -0.01214 -0.00758 0.00737 N6 4 0.326790 0.559467 0.396136 11.00000 0.02028 0.02180 = 0.02647 -0.01209 -0.01327 0.00544 C1 1 0.620607 0.119385 -0.014255 11.00000 0.04232 0.01384 = 0.02459 -0.00804 -0.00619 0.00526 AFIX 23 H1A 2 0.687933 0.105530 -0.026620 11.00000 -1.20000 H1B 2 0.578448 0.087510 -0.024690 11.00000 -1.20000 AFIX 0 C2 1 0.583251 0.105016 0.063209 11.00000 0.03038 0.01054 = 0.02231 -0.00530 -0.00714 0.00500 C3 1 0.648335 0.112079 0.097435 11.00000 0.02695 0.01488 = 0.02850 -0.00564 -0.00824 0.00301 AFIX 43 H3 2 0.716741 0.120844 0.073215 11.00000 -1.20000 AFIX 0 C4 1 0.614012 0.106413 0.166553 11.00000 0.03000 0.01472 = 0.02795 -0.00529 -0.01258 0.00245 AFIX 43 H4 2 0.658985 0.111101 0.189532 11.00000 -1.20000 AFIX 0 C5 1 0.513763 0.093859 0.202572 11.00000 0.03120 0.00866 = 0.02055 -0.00168 -0.00811 0.00282 C6 1 0.449047 0.082690 0.169632 11.00000 0.02512 0.01430 = 0.02402 -0.00547 -0.00727 0.00308 AFIX 43 H6 2 0.380926 0.071230 0.194823 11.00000 -1.20000 AFIX 0 C7 1 0.482929 0.088107 0.100193 11.00000 0.02973 0.01523 = 0.02595 -0.00752 -0.01170 0.00302 AFIX 43 H7 2 0.438248 0.080378 0.078126 11.00000 -1.20000 AFIX 0 C8 1 0.475980 0.095626 0.275247 11.00000 0.04392 0.01259 = 0.02187 -0.00360 -0.01074 0.00350 AFIX 23 H8A 2 0.414901 0.060279 0.303392 11.00000 -1.20000 H8B 2 0.524978 0.079365 0.299895 11.00000 -1.20000 AFIX 0 C9 1 0.531158 0.226239 0.253964 11.00000 0.03644 0.02224 = 0.03339 -0.01025 -0.02203 0.00559 AFIX 43 H9 2 0.593504 0.210462 0.254594 11.00000 -1.20000 AFIX 0 C10 1 0.518059 0.301172 0.238866 11.00000 0.03783 0.02182 = 0.03539 -0.01296 -0.02284 0.00248 AFIX 43 H10 2 0.571180 0.336577 0.230017 11.00000 -1.20000 AFIX 0 C11 1 0.427573 0.326296 0.236295 11.00000 0.03060 0.01871 = 0.01380 -0.00699 -0.00823 0.00207 C12 1 0.350878 0.270876 0.254184 11.00000 0.02699 0.01822 = 0.02286 -0.00696 -0.00176 0.00074 AFIX 43 H12 2 0.287191 0.284755 0.255693 11.00000 -1.20000 AFIX 0 C13 1 0.367296 0.195881 0.269707 11.00000 0.03080 0.01916 = 0.02213 -0.00648 -0.00101 -0.00128 AFIX 43 H13 2 0.314540 0.158564 0.281866 11.00000 -1.20000 AFIX 0 C14 1 0.415083 0.407890 0.212588 11.00000 0.03082 0.01730 = 0.01496 -0.00810 -0.01123 0.00012 C15 1 0.495161 0.460858 0.164426 11.00000 0.02569 0.02324 = 0.01740 -0.00969 -0.00726 0.00026 AFIX 43 H15 2 0.556814 0.443958 0.149508 11.00000 -1.20000 AFIX 0 C16 1 0.486040 0.537677 0.138078 11.00000 0.02909 0.02199 = 0.01670 -0.00951 -0.00675 -0.00214 AFIX 43 H16 2 0.541429 0.573043 0.105545 11.00000 -1.20000 AFIX 0 C17 1 0.396098 0.563428 0.158995 11.00000 0.02886 0.01749 = 0.01411 -0.00740 -0.00898 0.00082 C18 1 0.315760 0.510627 0.208612 11.00000 0.02796 0.02336 = 0.01836 -0.00858 -0.00687 0.00141 AFIX 43 H18 2 0.254412 0.527705 0.224029 11.00000 -1.20000 AFIX 0 C19 1 0.325219 0.433554 0.235378 11.00000 0.02993 0.02154 = 0.01695 -0.00567 -0.00775 -0.00119 AFIX 43 H19 2 0.270549 0.398230 0.269218 11.00000 -1.20000 AFIX 0 C20 1 0.387620 0.645233 0.126719 11.00000 0.03406 0.01816 = 0.01283 -0.00793 -0.00671 0.00033 C21 1 0.468760 0.699506 0.103601 11.00000 0.03567 0.01894 = 0.02193 -0.00832 -0.01474 -0.00005 AFIX 43 H21 2 0.528039 0.683779 0.111804 11.00000 -1.20000 AFIX 0 C22 1 0.462873 0.774980 0.069294 11.00000 0.03847 0.01764 = 0.02213 -0.00739 -0.01085 -0.00338 AFIX 43 H22 2 0.518249 0.811224 0.053856 11.00000 -1.20000 AFIX 0 C23 1 0.299223 0.748131 0.079933 11.00000 0.03252 0.02211 = 0.02496 -0.00954 -0.00451 0.00308 AFIX 43 H23 2 0.240601 0.765788 0.071821 11.00000 -1.20000 AFIX 0 C24 1 0.301448 0.671677 0.114691 11.00000 0.02857 0.01947 = 0.02369 -0.00779 -0.00521 0.00052 AFIX 43 H24 2 0.244499 0.636823 0.130533 11.00000 -1.20000 AFIX 0 C25 1 0.460147 0.094924 0.783227 11.00000 0.04104 0.01081 = 0.02312 -0.00378 -0.00972 0.00335 AFIX 23 H25A 2 0.398287 0.060865 0.812584 11.00000 -1.20000 H25B 2 0.509793 0.078120 0.807178 11.00000 -1.20000 AFIX 0 C26 1 0.494494 0.091138 0.711312 11.00000 0.03362 0.00926 = 0.02022 -0.00315 -0.00963 0.00407 C27 1 0.594215 0.103611 0.673253 11.00000 0.02978 0.01374 = 0.02901 -0.00499 -0.01369 0.00242 AFIX 43 H27 2 0.641028 0.109954 0.694255 11.00000 -1.20000 AFIX 0 C28 1 0.624824 0.106728 0.604992 11.00000 0.02856 0.01627 = 0.02732 -0.00567 -0.00950 0.00701 AFIX 43 H28 2 0.692777 0.114982 0.579471 11.00000 -1.20000 AFIX 0 C29 1 0.557115 0.097896 0.573129 11.00000 0.03473 0.01010 = 0.02194 -0.00595 -0.00973 0.00651 C30 1 0.457391 0.082063 0.612204 11.00000 0.03094 0.01415 = 0.02653 -0.00671 -0.01222 0.00231 AFIX 43 H30 2 0.410798 0.073641 0.591848 11.00000 -1.20000 AFIX 0 C31 1 0.426716 0.078699 0.680968 11.00000 0.02741 0.01306 = 0.02629 -0.00625 -0.00943 0.00252 AFIX 43 H31 2 0.359030 0.067837 0.707472 11.00000 -1.20000 AFIX 0 C32 1 0.589704 0.110043 0.496446 11.00000 0.04393 0.01484 = 0.02361 -0.00818 -0.00997 0.00872 AFIX 23 H32A 2 0.655530 0.093960 0.482877 11.00000 -1.20000 H32B 2 0.543606 0.079575 0.487635 11.00000 -1.20000 AFIX 0 C33 1 0.670746 0.241503 0.439302 11.00000 0.02730 0.02425 = 0.03070 -0.00654 -0.01070 0.00683 AFIX 43 H33 2 0.726552 0.222125 0.451223 11.00000 -1.20000 AFIX 0 C34 1 0.670910 0.318312 0.407366 11.00000 0.02477 0.02250 = 0.03176 -0.00589 -0.01239 0.00252 AFIX 43 H34 2 0.726804 0.351691 0.397431 11.00000 -1.20000 AFIX 0 C35 1 0.589718 0.348277 0.389167 11.00000 0.02704 0.01883 = 0.01949 -0.00854 -0.01039 0.00334 C36 1 0.509860 0.296392 0.405112 11.00000 0.02631 0.01890 = 0.02237 -0.00870 -0.01084 0.00421 AFIX 43 H36 2 0.453172 0.314187 0.393641 11.00000 -1.20000 AFIX 0 C37 1 0.512841 0.219261 0.437502 11.00000 0.03165 0.01954 = 0.02048 -0.00765 -0.00989 0.00190 AFIX 43 H37 2 0.458034 0.184450 0.448171 11.00000 -1.20000 AFIX 0 C38 1 0.588016 0.431062 0.355841 11.00000 0.02434 0.01855 = 0.01799 -0.00818 -0.00972 0.00465 C39 1 0.654931 0.482806 0.357081 11.00000 0.02516 0.02696 = 0.02312 -0.01076 -0.01079 0.00337 AFIX 43 H39 2 0.702835 0.464672 0.379370 11.00000 -1.20000 AFIX 0 C40 1 0.651875 0.560714 0.325891 11.00000 0.02783 0.02547 = 0.02457 -0.01331 -0.00976 0.00130 AFIX 43 H40 2 0.697305 0.595194 0.327620 11.00000 -1.20000 AFIX 0 C41 1 0.582945 0.588798 0.292127 11.00000 0.02911 0.01750 = 0.01715 -0.00913 -0.00928 0.00251 C42 1 0.515291 0.536984 0.292322 11.00000 0.02969 0.02558 = 0.02337 -0.01361 -0.01552 0.00669 AFIX 43 H42 2 0.466644 0.555110 0.270784 11.00000 -1.20000 AFIX 0 C43 1 0.517765 0.459375 0.323434 11.00000 0.02713 0.02246 = 0.02297 -0.01087 -0.01366 0.00269 AFIX 43 H43 2 0.471104 0.425044 0.322697 11.00000 -1.20000 AFIX 0 C44 1 0.575989 0.671385 0.264163 11.00000 0.03129 0.01863 = 0.01407 -0.00792 -0.00831 0.00332 C45 1 0.654532 0.724821 0.246810 11.00000 0.02670 0.02236 = 0.02659 -0.01013 -0.00409 0.00164 AFIX 43 H45 2 0.716768 0.708870 0.247562 11.00000 -1.20000 AFIX 0 C46 1 0.642519 0.800667 0.228561 11.00000 0.03146 0.01948 = 0.02637 -0.00854 -0.00321 0.00035 AFIX 43 H46 2 0.696289 0.836441 0.217867 11.00000 -1.20000 AFIX 0 C47 1 0.479276 0.775099 0.238798 11.00000 0.03505 0.02040 = 0.02164 -0.00758 -0.01567 0.00555 AFIX 43 H47 2 0.418946 0.792993 0.234834 11.00000 -1.20000 AFIX 0 C48 1 0.487860 0.698898 0.257835 11.00000 0.03459 0.01919 = 0.02161 -0.00818 -0.01596 0.00187 AFIX 43 H48 2 0.433500 0.664566 0.266786 11.00000 -1.20000 AFIX 0 C49 1 0.549533 0.434345 0.014408 11.00000 0.03174 0.02004 = 0.01639 -0.01060 -0.01034 0.00731 C50 1 0.595512 0.365972 0.033684 11.00000 0.03421 0.02672 = 0.02116 -0.01279 -0.01240 0.01096 AFIX 43 H50 2 0.664532 0.369448 0.023272 11.00000 -1.20000 AFIX 0 C51 1 0.541383 0.296317 0.066667 11.00000 0.04843 0.01855 = 0.02152 -0.00915 -0.01217 0.01063 AFIX 43 H51 2 0.573319 0.252029 0.079446 11.00000 -1.20000 AFIX 0 C52 1 0.439818 0.288684 0.082088 11.00000 0.04492 0.01949 = 0.02370 -0.00909 -0.00436 0.00095 AFIX 43 H52 2 0.403861 0.239527 0.102951 11.00000 -1.20000 AFIX 0 C53 1 0.392178 0.351933 0.067162 11.00000 0.03091 0.02649 = 0.02287 -0.01125 -0.00439 0.00026 AFIX 43 H53 2 0.322895 0.346142 0.079479 11.00000 -1.20000 AFIX 0 C54 1 0.444866 0.426754 0.033290 11.00000 0.02879 0.02106 = 0.01735 -0.01026 -0.00599 0.00515 C55 1 0.396060 0.492544 0.020027 11.00000 0.02965 0.02521 = 0.01826 -0.01231 -0.00975 0.00663 C56 1 0.288983 0.481358 0.042926 11.00000 0.03128 0.02676 = 0.02315 -0.01103 -0.00958 0.00432 AFIX 43 H56 2 0.257654 0.443854 0.034425 11.00000 -1.20000 AFIX 0 C57 1 0.134009 0.499756 0.096329 11.00000 0.02844 0.03857 = 0.02336 -0.01351 -0.00796 0.00746 C58 1 0.090314 0.425024 0.130693 11.00000 0.02939 0.03533 = 0.03575 -0.00894 -0.00871 0.00738 AFIX 43 H58 2 0.129480 0.384679 0.140093 11.00000 -1.20000 AFIX 0 C59 1 -0.010745 0.409117 0.151388 11.00000 0.03026 0.04325 = 0.03590 -0.00957 -0.00725 0.00305 AFIX 43 H59 2 -0.039643 0.357658 0.175368 11.00000 -1.20000 AFIX 0 C60 1 -0.070511 0.466020 0.138095 11.00000 0.02873 0.05657 = 0.02445 -0.01704 -0.00732 0.00693 C61 1 -0.025867 0.540720 0.104196 11.00000 0.03385 0.05172 = 0.02923 -0.01777 -0.01083 0.01904 AFIX 43 H61 2 -0.065111 0.580904 0.094093 11.00000 -1.20000 AFIX 0 C62 1 0.074983 0.558048 0.084699 11.00000 0.03536 0.03848 = 0.02954 -0.01470 -0.00924 0.01033 AFIX 43 H62 2 0.103497 0.609590 0.063483 11.00000 -1.20000 AFIX 0 C63 1 -0.181464 0.446569 0.158874 11.00000 0.02941 0.08035 = 0.03432 -0.02664 -0.00964 0.01114 PART 1 C64A 1 -0.231697 0.515172 0.178454 21.00000 0.02838 0.08934 = 0.07387 -0.01153 0.00795 0.01990 AFIX 137 H64A 2 -0.221147 0.514322 0.221506 21.00000 -1.50000 H64B 2 -0.302082 0.508568 0.186098 21.00000 -1.50000 H64C 2 -0.202152 0.563992 0.139564 21.00000 -1.50000 AFIX 0 C65A 1 -0.212719 0.379477 0.222344 21.00000 0.04039 0.10051 = 0.20722 -0.03730 0.03428 -0.01576 AFIX 137 H65A 2 -0.176402 0.380850 0.253714 21.00000 -1.50000 H65B 2 -0.200282 0.334554 0.210864 21.00000 -1.50000 H65C 2 -0.282887 0.377058 0.245940 21.00000 -1.50000 AFIX 0 C66A 1 -0.199263 0.458583 0.092637 21.00000 0.04468 0.17342 = 0.08871 -0.08375 -0.02365 0.01019 AFIX 137 H66A 2 -0.269595 0.448629 0.101639 21.00000 -1.50000 H66B 2 -0.164514 0.423925 0.072452 21.00000 -1.50000 H66C 2 -0.175612 0.511250 0.059416 21.00000 -1.50000 AFIX 0 PART 2 C64B 1 -0.239088 0.512052 0.150339 -21.00000 0.02976 0.06042 = 0.05363 -0.02584 -0.01637 0.01345 AFIX 137 H64D 2 -0.307888 0.493811 0.178583 -21.00000 -1.50000 H64E 2 -0.233744 0.538182 0.100533 -21.00000 -1.50000 H64F 2 -0.213706 0.547429 0.166263 -21.00000 -1.50000 AFIX 0 C65B 1 -0.222902 0.383243 0.233333 -21.00000 0.00758 0.03912 = 0.03569 -0.01539 -0.00524 -0.00522 AFIX 137 H65D 2 -0.194268 0.336522 0.233694 -21.00000 -1.50000 H65E 2 -0.294159 0.373892 0.246142 -21.00000 -1.50000 H65F 2 -0.206596 0.399099 0.267446 -21.00000 -1.50000 AFIX 0 C66B 1 -0.206588 0.404694 0.111813 -21.00000 0.01911 0.05679 = 0.02873 -0.02649 -0.01057 0.00234 AFIX 137 H66D 2 -0.277624 0.397433 0.122308 -21.00000 -1.50000 H66E 2 -0.181731 0.355158 0.123085 -21.00000 -1.50000 H66F 2 -0.175579 0.436204 0.061625 -21.00000 -1.50000 AFIX 0 PART 0 C67 1 0.562540 0.565281 0.485287 11.00000 0.01622 0.02012 = 0.01582 -0.00897 -0.00590 0.00198 C68 1 0.623985 0.632584 0.469499 11.00000 0.02097 0.02433 = 0.02403 -0.01186 -0.01084 0.00120 AFIX 43 H68 2 0.682388 0.627908 0.481674 11.00000 -1.20000 AFIX 0 C69 1 0.600114 0.702891 0.437439 11.00000 0.02970 0.02087 = 0.02301 -0.01070 -0.00878 -0.00193 AFIX 43 H69 2 0.642864 0.746686 0.426148 11.00000 -1.20000 AFIX 0 C70 1 0.511846 0.711365 0.420713 11.00000 0.03589 0.01761 = 0.02076 -0.00834 -0.01392 0.00523 AFIX 43 H70 2 0.495052 0.760800 0.399383 11.00000 -1.20000 AFIX 0 C71 1 0.450747 0.648861 0.435081 11.00000 0.02656 0.02182 = 0.02039 -0.01050 -0.01402 0.00741 AFIX 43 H71 2 0.391161 0.655532 0.424543 11.00000 -1.20000 AFIX 0 C72 1 0.474803 0.573561 0.465691 11.00000 0.01996 0.01980 = 0.01543 -0.00904 -0.01024 0.00510 C73 1 0.414366 0.508307 0.479483 11.00000 0.01700 0.02308 = 0.01803 -0.01081 -0.00876 0.00457 C74 1 0.325994 0.514309 0.457078 11.00000 0.01721 0.02421 = 0.02496 -0.01280 -0.01075 0.00510 AFIX 43 H74 2 0.266869 0.483404 0.489315 11.00000 -1.20000 AFIX 0 C75 1 0.241654 0.558027 0.376084 11.00000 0.01877 0.02665 = 0.02452 -0.01282 -0.01248 0.00758 C76 1 0.222898 0.625476 0.329829 11.00000 0.02532 0.02338 = 0.03286 -0.01021 -0.01591 0.00456 AFIX 43 H76 2 0.265843 0.670673 0.313768 11.00000 -1.20000 AFIX 0 C77 1 0.142432 0.628116 0.306567 11.00000 0.02635 0.03046 = 0.03226 -0.01322 -0.01714 0.01181 AFIX 43 H77 2 0.130830 0.675071 0.275288 11.00000 -1.20000 AFIX 0 C78 1 0.078423 0.562417 0.328714 11.00000 0.02016 0.03822 = 0.03001 -0.01931 -0.01317 0.00867 C79 1 0.099868 0.494861 0.373238 11.00000 0.02645 0.03366 = 0.03947 -0.01316 -0.01750 -0.00113 AFIX 43 H79 2 0.058207 0.449263 0.388267 11.00000 -1.20000 AFIX 0 C80 1 0.180317 0.491958 0.396434 11.00000 0.02885 0.02560 = 0.03405 -0.00859 -0.01856 0.00457 AFIX 43 H80 2 0.193450 0.444720 0.426271 11.00000 -1.20000 AFIX 0 C81 1 -0.014544 0.565531 0.307614 11.00000 0.02329 0.05590 = 0.04111 -0.02588 -0.02023 0.01046 C82 1 -0.007928 0.635210 0.241935 11.00000 0.04246 0.06707 = 0.05119 -0.02089 -0.03443 0.01440 AFIX 137 H82A 2 -0.067592 0.633689 0.229460 11.00000 -1.50000 H82B 2 0.048877 0.635816 0.202884 11.00000 -1.50000 H82C 2 -0.000793 0.681141 0.251026 11.00000 -1.50000 AFIX 0 C83 1 -0.099549 0.568173 0.370686 11.00000 0.02128 0.08196 = 0.05218 -0.03360 -0.01772 0.01494 AFIX 137 H83A 2 -0.160881 0.570352 0.359683 11.00000 -1.50000 H83B 2 -0.086147 0.613367 0.379305 11.00000 -1.50000 H83C 2 -0.105300 0.522469 0.412899 11.00000 -1.50000 AFIX 0 C84 1 -0.035681 0.494259 0.295049 11.00000 0.04439 0.06346 = 0.05725 -0.03202 -0.03347 0.00477 AFIX 137 H84A 2 -0.094099 0.498113 0.280321 11.00000 -1.50000 H84B 2 -0.046788 0.449222 0.338769 11.00000 -1.50000 H84C 2 0.020329 0.489873 0.258024 11.00000 -1.50000 AFIX 0 MOLE 2 P1 5 0.196891 0.258942 0.454998 11.00000 0.02107 0.02375 = 0.02233 -0.00774 -0.00818 0.00062 F1 3 0.107117 0.194792 0.507375 11.00000 0.02672 0.02887 = 0.03337 -0.01362 -0.00682 -0.00385 F2 3 0.124891 0.309910 0.419106 11.00000 0.03397 0.03577 = 0.04655 -0.01107 -0.02615 0.00475 F3 3 0.177940 0.298384 0.510536 11.00000 0.03578 0.03501 = 0.04018 -0.02337 -0.01350 0.00072 F4 3 0.287410 0.322979 0.402170 11.00000 0.02842 0.03549 = 0.03816 0.00259 -0.00829 -0.00520 F5 3 0.269652 0.207871 0.490756 11.00000 0.03026 0.03302 = 0.03807 -0.00868 -0.01603 0.00750 F6 3 0.215857 0.218284 0.400104 11.00000 0.05019 0.05010 = 0.02852 -0.02263 -0.00713 0.00567 MOLE 3 P2 5 0.200365 0.878057 0.206586 11.00000 0.02873 0.03844 = 0.03126 -0.01617 -0.01307 0.00684 PART 1 F7A 3 0.180436 0.863923 0.143406 31.00000 0.05427 0.10872 = 0.06046 -0.05797 -0.01693 0.01015 F8A 3 0.106803 0.816021 0.257743 31.00000 0.05611 0.03893 = 0.07394 0.00180 0.00612 0.00507 F9A 3 0.129453 0.941565 0.199466 31.00000 0.05442 0.03449 = 0.11569 -0.02281 -0.01299 0.01380 F10A 3 0.223390 0.898538 0.263822 31.00000 0.12004 0.38299 = 0.19169 -0.24067 -0.10318 0.08754 F11A 3 0.290725 0.936420 0.153246 31.00000 0.04836 0.07711 = 0.14487 -0.03956 0.01104 -0.03306 F12A 3 0.269444 0.811778 0.210079 31.00000 0.06244 0.09742 = 0.10025 -0.03365 -0.02841 0.05197 PART 2 F7B 3 0.103800 0.904399 0.229433 -31.00000 0.05427 0.10872 = 0.06046 -0.05797 -0.01693 0.01015 F8B 3 0.101408 0.846373 0.255675 -31.00000 0.05611 0.03893 = 0.07394 0.00180 0.00612 0.00507 F9B 3 0.201877 0.931536 0.132762 -31.00000 0.05442 0.03449 = 0.11569 -0.02281 -0.01299 0.01380 F10B 3 0.212501 0.856005 0.279032 -31.00000 0.01207 0.06335 = 0.00682 -0.00777 -0.00543 0.01339 F11B 3 0.317386 0.874205 0.170180 -31.00000 0.04836 0.07711 = 0.14487 -0.03956 0.01104 -0.03306 F12B 3 0.241882 0.819112 0.260472 -31.00000 0.07608 0.00282 = 0.05886 -0.00245 -0.04833 0.00476 PART 0 MOLE 4 P3 5 0.774741 0.739713 0.036314 11.00000 0.04254 0.03884 = 0.06911 -0.01734 -0.00563 0.00256 F13 3 0.690679 0.671005 0.087172 11.00000 0.03932 0.04683 = 0.18154 0.01838 -0.01419 0.00157 F14 3 0.701437 0.783263 -0.003997 11.00000 0.06295 0.06253 = 0.11731 -0.00746 -0.03511 0.00127 F15 3 0.742314 0.782711 0.088375 11.00000 0.13797 0.06627 = 0.04354 -0.00686 0.01436 0.03934 F16 3 0.858437 0.809428 -0.014718 11.00000 0.05857 0.05161 = 0.05256 -0.02568 -0.00454 -0.01027 F17 3 0.849541 0.698999 0.075058 11.00000 0.06580 0.04322 = 0.10716 -0.01933 -0.03397 0.00318 F18 3 0.809357 0.698698 -0.016578 11.00000 0.08939 0.09300 = 0.15903 -0.09705 -0.03654 0.00441 MOLE 5 P4 5 0.209343 -0.113341 0.694101 11.00000 0.04309 0.05511 = 0.03452 -0.02752 -0.01513 -0.00192 PART 1 F19A 3 0.130090 -0.184190 0.745219 41.00000 0.14906 0.08974 = 0.06898 0.02377 -0.03096 -0.02308 F20A 3 0.205643 -0.097011 0.760693 41.00000 0.13152 0.30632 = 0.11800 -0.16118 -0.06330 0.03509 F21A 3 0.298882 -0.150469 0.693664 41.00000 0.12320 0.29836 = 0.16928 -0.12280 -0.11276 0.15692 F22A 3 0.268828 -0.034652 0.641039 41.00000 0.13397 0.10692 = 0.19435 -0.01038 -0.07111 -0.07811 F23A 3 0.201633 -0.127938 0.629000 41.00000 0.06633 0.10171 = 0.05376 -0.05700 -0.01741 0.00885 F24A 3 0.112484 -0.066832 0.689459 41.00000 0.07984 0.10565 = 0.12346 -0.05938 -0.03595 0.05228 PART 2 SAME F19A F20A F21A F22A F23A F24A F19B 3 0.232226 -0.180932 0.763393 -41.00000 0.06105 0.06832 = 0.03746 -0.00802 -0.01768 -0.01357 F20B 3 0.104303 -0.125434 0.729132 -41.00000 0.02120 0.10402 = 0.05677 -0.05170 0.00023 -0.00352 F21B 3 0.333945 -0.108965 0.658920 -41.00000 0.03566 0.07151 = 0.03996 -0.02983 -0.00993 -0.00231 F22B 3 0.213188 -0.057693 0.622643 -41.00000 0.09723 0.07353 = 0.06382 -0.00607 -0.04856 0.02565 F23B 3 0.211305 -0.180365 0.664650 -41.00000 0.06438 0.07720 = 0.06902 -0.05390 -0.03433 0.01231 F24B 3 0.233617 -0.052953 0.722471 -41.00000 0.04680 0.06423 = 0.05860 -0.04808 -0.00360 -0.00350 PART 0 MOLE 6 N7 4 0.125139 -0.155813 0.518970 11.00000 0.04493 0.07156 = 0.05849 -0.02043 -0.01595 -0.00205 C85 1 0.007719 -0.234739 0.643679 11.00000 0.07181 0.18520 = 0.05703 -0.04385 -0.00531 -0.06956 AFIX 137 H85A 2 -0.014532 -0.284001 0.645358 11.00000 -1.50000 H85B 2 -0.048965 -0.208212 0.655739 11.00000 -1.50000 H85C 2 0.043172 -0.242737 0.677559 11.00000 -1.50000 AFIX 0 C86 1 0.071783 -0.189458 0.573520 11.00000 0.03800 0.07800 = 0.05755 -0.03517 -0.01757 -0.00152 MOLE 7 N8 4 0.206949 0.037372 0.834942 11.00000 0.03421 0.04147 = 0.06150 -0.02333 -0.00058 -0.00287 C87 1 0.047905 -0.046889 0.863609 11.00000 0.04444 0.06903 = 0.07346 -0.03137 -0.00838 -0.01380 AFIX 137 H87A 2 0.027544 -0.083266 0.912813 11.00000 -1.50000 H87B 2 0.059695 -0.074547 0.832322 11.00000 -1.50000 H87C 2 -0.003781 -0.014481 0.855927 11.00000 -1.50000 AFIX 0 C88 1 0.137344 0.000058 0.848415 11.00000 0.03685 0.03634 = 0.03739 -0.01220 -0.00813 0.00080 MOLE 8 N9 4 0.388751 0.070711 0.441144 11.00000 0.04540 0.02162 = 0.04245 -0.01817 -0.00855 0.00388 C89 1 0.199766 0.040381 0.492719 11.00000 0.04447 0.03419 = 0.06330 -0.02447 -0.01126 0.00157 AFIX 137 H89A 2 0.169757 0.076069 0.460478 11.00000 -1.50000 H89B 2 0.176967 0.044757 0.538572 11.00000 -1.50000 H89C 2 0.181219 -0.011617 0.498739 11.00000 -1.50000 AFIX 0 C90 1 0.305746 0.058107 0.463559 11.00000 0.04774 0.01694 = 0.03479 -0.01349 -0.01066 0.00274 MOLE 9 N10 4 0.220794 0.035660 0.329858 11.00000 0.04216 0.03378 = 0.06349 -0.01157 -0.01151 -0.00868 C91 1 0.058524 -0.050864 0.375048 11.00000 0.04541 0.07262 = 0.05977 -0.01993 -0.00801 -0.01589 AFIX 137 H91A 2 0.051422 -0.090953 0.421252 11.00000 -1.50000 H91B 2 0.059110 -0.073941 0.341310 11.00000 -1.50000 H91C 2 0.003542 -0.020725 0.379133 11.00000 -1.50000 AFIX 0 C92 1 0.149830 -0.001826 0.350473 11.00000 0.04441 0.03777 = 0.04309 -0.00706 -0.01256 -0.00460 MOLE 10 N11 4 0.168553 0.237081 0.207089 11.00000 0.04753 0.06439 = 0.07209 -0.02331 -0.01815 -0.00446 C93 1 0.144815 0.121951 0.177936 11.00000 0.20946 0.04930 = 0.07986 -0.00340 -0.09105 -0.02286 AFIX 137 H93A 2 0.080725 0.093236 0.208541 11.00000 -1.50000 H93B 2 0.196231 0.089311 0.185800 11.00000 -1.50000 H93C 2 0.147669 0.139084 0.128491 11.00000 -1.50000 AFIX 0 C94 1 0.159128 0.186402 0.193931 11.00000 0.05391 0.05317 = 0.05453 -0.00709 -0.02560 -0.01034 MOLE 11 N12 4 0.820895 0.357639 0.479454 11.00000 0.07158 0.09807 = 0.07376 -0.03020 -0.03868 -0.00885 C95 1 0.924587 0.292626 0.559359 11.00000 0.06073 0.13726 = 0.05786 -0.05899 -0.02601 0.04867 AFIX 137 H95A 2 0.970231 0.331741 0.557493 11.00000 -1.50000 H95B 2 0.961462 0.256103 0.543082 11.00000 -1.50000 H95C 2 0.881350 0.266114 0.607995 11.00000 -1.50000 AFIX 0 C96 1 0.867350 0.327478 0.514929 11.00000 0.04081 0.08288 = 0.04791 -0.03337 -0.01479 0.00040 MOLE 12 N13 4 0.828183 0.768792 0.291005 11.00000 0.04081 0.10393 = 0.06800 -0.04959 -0.01680 0.00598 C97 1 0.876448 0.873062 0.327954 11.00000 0.07161 0.07133 = 0.04188 -0.01597 -0.02200 -0.00073 AFIX 137 H97A 2 0.828701 0.909829 0.325244 11.00000 -1.50000 H97B 2 0.941366 0.899094 0.296093 11.00000 -1.50000 H97C 2 0.878213 0.849958 0.376414 11.00000 -1.50000 AFIX 0 C98 1 0.848691 0.814874 0.307595 11.00000 0.03369 0.07390 = 0.03290 -0.01527 -0.00808 0.00626 MOLE 13 PART 1 N14A 4 0.986860 1.046489 -0.017481 51.00000 0.05045 0.06512 = 0.04134 -0.01810 -0.01175 -0.00941 C99A 1 1.005548 1.104762 -0.060812 51.00000 0.02712 0.06296 = 0.03746 -0.02303 -0.00893 -0.00622 C12A 1 1.036226 1.172562 -0.115941 51.00000 0.06118 0.10590 = 0.05293 -0.03522 -0.00247 -0.01144 AFIX 137 H12A 2 1.100461 1.192366 -0.118664 51.00000 -1.50000 H12B 2 0.989216 1.208451 -0.109406 51.00000 -1.50000 H12C 2 1.041240 1.166018 -0.159717 51.00000 -1.50000 AFIX 0 PART 2 SAME N14A C99A C12A N14B 4 0.883453 1.169209 -0.024965 -51.00000 0.04694 0.19776 = 0.06045 -0.06099 -0.01395 0.02374 C99B 1 0.954464 1.167617 -0.063938 -51.00000 0.04804 0.06594 = 0.03663 -0.01826 -0.01261 0.00933 C12B 1 1.036226 1.172562 -0.115941 -51.00000 0.06118 0.10590 = 0.05293 -0.03522 -0.00247 -0.01144 AFIX 137 H12D 2 1.021919 1.187828 -0.160466 -51.00000 -1.50000 H12E 2 1.061012 1.123009 -0.105395 -51.00000 -1.50000 H12F 2 1.085676 1.210473 -0.120078 -51.00000 -1.50000 AFIX 0 PART 0 MOLE 14 N15 4 0.590014 0.928838 0.050710 11.00000 0.04672 0.02304 = 0.04286 -0.01687 -0.01057 -0.00065 C101 1 0.778222 0.962531 0.002863 11.00000 0.03939 0.03421 = 0.07251 -0.01606 -0.02134 0.00439 AFIX 137 H10A 2 0.810082 0.918055 -0.000481 11.00000 -1.50000 H10B 2 0.799304 0.979247 0.034788 11.00000 -1.50000 H10C 2 0.796444 1.003761 -0.044023 11.00000 -1.50000 AFIX 0 C102 1 0.672823 0.942580 0.029973 11.00000 0.04382 0.01881 = 0.03537 -0.01220 -0.01639 0.00419 MOLE 15 PART 1 N16A 4 1.131382 0.771909 -0.008442 61.00000 0.05803 0.07254 = 0.05997 -0.01208 -0.01597 -0.01539 C10A 1 1.091813 0.755353 -0.040723 61.00000 0.04401 0.05366 = 0.04830 -0.00990 -0.01182 -0.00565 C11A 1 1.046830 0.731983 -0.078858 61.00000 0.05870 0.08865 = 0.06368 -0.03686 -0.00976 -0.00210 AFIX 137 H11A 2 1.086814 0.753248 -0.128765 61.00000 -1.50000 H11B 2 0.982191 0.749723 -0.073687 61.00000 -1.50000 H11C 2 1.039473 0.676346 -0.061260 61.00000 -1.50000 AFIX 0 PART 2 SAME N16A C10B C11B N16B 4 1.242536 0.732237 -0.103318 -61.00000 0.05914 0.05410 = 0.15484 -0.01623 -0.03380 -0.00610 C10B 1 1.159477 0.731528 -0.090376 -61.00000 0.04783 0.04856 = 0.10165 -0.00515 -0.03256 -0.00729 C11B 1 1.046830 0.731983 -0.078858 -61.00000 0.05870 0.08865 = 0.06368 -0.03686 -0.00976 -0.00210 AFIX 137 H11D 2 1.019167 0.759321 -0.048410 -61.00000 -1.50000 H11E 2 1.014645 0.679562 -0.056467 -61.00000 -1.50000 H11F 2 1.036356 0.757351 -0.124505 -61.00000 -1.50000 PART 0 REM ##### AFIX 0 HKLF 4 REM cu_Arslan020_0m_a.res in P-1 REM wR2 = 0.2751, GooF = S = 1.078, Restrained GooF = 1.136 for all data REM R1 = 0.0973 for 17363 Fo > 4sig(Fo) and 0.1028 for all 19450 data REM 1506 parameters refined using 18 restraints END WGHT 0.1931 5.4703 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, -y+1, -z HTAB C1 F7A_$1 HTAB C1 N15_$1 HTAB C8 N10 EQIV $4 -x+1, -y, -z+1 HTAB C8 F21B_$4 HTAB C9 F21A_$4 HTAB C9 F19B_$4 HTAB C9 F21B_$4 HTAB C12 N11 HTAB C13 N10 HTAB C21 F13 HTAB C22 N15 EQIV $5 -x+1, -y+2, -z HTAB C23 N14B_$5 EQIV $6 x-1, y, z HTAB C23 N16A_$6 HTAB C25 N8 HTAB C32 F23A_$4 HTAB C33 N7_$4 HTAB C34 N12 HTAB C36 F4 HTAB C37 N9 HTAB C45 N13 EQIV $2 -x+1, -y+1, -z+1 HTAB C46 N8_$2 HTAB C47 F12A HTAB C47 F11B HTAB C47 F12B EQIV $7 -x, -y, -z+1 HTAB C85 F2_$7 HTAB C85 F23B HTAB C87 N14A_$2 HTAB C87 F20A EQIV $8 -x, -y+1, -z+1 HTAB C87 F9A_$8 HTAB C89 F6 HTAB C89 F22B HTAB C91 N7 EQIV $9 x, y-1, z HTAB C91 F10A_$9 HTAB C91 F7B_$9 HTAB C93 F16_$1 EQIV $10 x+1, y, z HTAB C95 F1_$10 HTAB C97 F7B_$10 HTAB C97 F8B_$10 HTAB C97 F1_$2 EQIV $3 -x+2, -y+2, -z HTAB C12A F15_$3 HTAB C12B F17_$3 HTAB C101 F15 HTAB C101 F16 HTAB C101 N8_$2 HTAB C101 F7A_$5 HTAB C101 F9B_$5 EQIV $11 x+1, y+1, z-1 HTAB C11A F19A_$11 HTAB C11A F16 HTAB C11A F18 HTAB C11B F16 REM Highest difference peak 0.966, deepest hole -0.856, 1-sigma level 0.147 Q1 1 0.8175 0.7314 0.0382 11.00000 0.05 0.97 Q2 1 0.7031 0.6784 0.1016 11.00000 0.05 0.92 Q3 1 0.3049 -0.0701 0.6649 11.00000 0.05 0.92 Q4 1 0.1809 -0.0424 0.6839 11.00000 0.05 0.90 Q5 1 -0.0129 -0.1707 0.6190 11.00000 0.05 0.90 ; _shelx_res_checksum 57454 _shelx_hkl_file ; 1 0 0 1143.69 64.49 -2 0 0 32.60 2.20 2 0 0 44.60 2.30 -3 0 0 1938.31 109.89 3 0 0 1881.91 108.09 -4 0 0 5.90 0.40 4 0 0 4.80 0.60 -5 0 0 223.68 12.20 5 0 0 208.58 12.30 6 0 0 28.60 2.10 -7 0 0 11.60 1.00 7 0 0 12.00 0.90 7 0 0 13.40 1.00 -8 0 0 27.70 1.80 8 0 0 24.70 1.70 8 0 0 25.00 1.70 -9 0 0 84.89 5.00 9 0 0 82.49 4.90 9 0 0 83.19 5.00 -10 0 0 292.17 16.50 10 0 0 294.87 16.60 10 0 0 279.17 16.40 -11 0 0 48.20 3.00 11 0 0 47.40 2.70 11 0 0 45.40 3.00 11 0 0 46.60 2.70 11 0 0 48.10 2.70 11 0 0 43.30 2.70 11 0 0 48.70 3.00 11 0 0 43.10 2.70 11 0 0 46.30 2.90 11 0 0 46.50 3.10 12 0 0 20.50 1.30 12 0 0 20.80 1.70 12 0 0 19.50 1.40 12 0 0 18.60 1.20 12 0 0 19.80 1.30 12 0 0 19.50 1.30 12 0 0 19.10 1.30 12 0 0 17.80 1.60 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1.70 -13 1 0 21.70 1.40 12 -1 0 12.50 0.90 12 -1 0 13.30 1.10 12 -1 0 11.60 0.90 12 -1 0 12.30 1.20 12 -1 0 13.50 0.90 12 -1 0 12.90 1.00 12 -1 0 13.30 1.00 12 -1 0 16.00 1.40 -12 1 0 12.60 1.30 11 -1 0 11.70 0.90 11 -1 0 11.20 0.80 11 -1 0 11.00 1.00 11 -1 0 11.50 0.90 11 -1 0 10.30 1.30 11 -1 0 11.30 1.10 11 -1 0 11.40 0.90 11 -1 0 12.20 1.20 -11 1 0 12.50 1.20 10 -1 0 4.80 0.80 10 -1 0 7.20 0.70 -10 1 0 4.90 0.80 9 -1 0 5.60 0.70 9 -1 0 5.10 0.60 -9 1 0 4.90 0.80 8 -1 0 124.49 7.00 8 -1 0 114.09 7.10 -8 1 0 126.89 7.10 7 -1 0 3.70 0.40 7 -1 0 3.20 0.50 -7 1 0 2.40 0.50 6 -1 0 11.40 1.10 5 -1 0 3.00 0.40 5 -1 0 2.00 0.50 -5 1 0 2.80 0.30 4 -1 0 60.19 3.90 -4 1 0 69.99 3.80 0 1 0 0.30 0.10 1 1 0 13.80 0.90 2 1 0 299.67 17.00 3 1 0 41.70 2.60 4 1 0 24.70 1.80 6 1 0 17.60 1.60 7 1 0 44.70 2.70 7 1 0 41.40 2.60 -8 -1 0 29.20 1.80 8 1 0 27.90 1.90 8 1 0 25.80 1.80 -9 -1 0 4.40 0.60 9 1 0 4.10 0.70 9 1 0 3.40 0.50 10 1 0 0.80 0.40 10 1 0 1.70 0.50 -11 -1 0 43.50 2.60 11 1 0 42.40 2.70 11 1 0 46.90 2.60 11 1 0 43.00 2.60 11 1 0 46.00 2.60 11 1 0 40.80 2.60 11 1 0 42.10 2.60 11 1 0 45.30 2.90 11 1 0 45.70 3.00 11 1 0 48.00 2.90 -12 -1 0 268.97 17.50 12 1 0 275.27 17.60 12 1 0 331.87 17.60 12 1 0 314.97 17.30 12 1 0 298.17 17.30 12 1 0 328.37 17.60 12 1 0 312.67 17.40 12 1 0 328.97 17.30 12 1 0 304.47 17.30 12 1 0 308.97 17.40 12 1 0 309.57 17.30 13 1 0 2.30 0.40 13 1 0 2.00 0.40 13 1 0 2.50 0.40 13 1 0 1.20 0.60 13 1 0 3.10 0.60 13 1 0 2.60 0.30 13 1 0 3.10 0.40 13 1 0 2.30 0.70 -14 -1 0 0.80 0.30 14 1 0 0.80 0.40 14 1 0 0.60 0.20 14 1 0 0.70 0.30 14 1 0 1.00 0.30 14 1 0 0.30 0.50 14 1 0 1.00 0.30 14 1 0 1.20 0.30 14 1 0 0.30 0.50 -15 -1 0 2.20 0.30 15 1 0 3.30 0.30 15 1 0 2.50 0.50 15 1 0 2.40 0.40 15 1 0 2.90 0.30 15 1 0 2.80 0.30 -16 -1 0 1.50 0.20 -16 -1 0 2.10 0.30 16 1 0 2.30 0.40 16 1 0 2.10 0.20 16 1 0 2.30 0.30 16 1 0 2.20 0.30 16 -2 0 1.50 0.20 16 -2 0 1.20 0.30 16 -2 0 1.30 0.40 -16 2 0 1.40 0.20 -16 2 0 1.10 0.20 15 -2 0 0.20 0.20 15 -2 0 -0.30 0.40 15 -2 0 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10.80 5 -2 0 164.68 10.90 -5 2 0 191.58 10.80 4 -2 0 0.50 0.20 -4 2 0 0.10 0.20 -3 2 0 151.78 8.60 0 2 0 29.70 1.70 2 2 0 154.58 8.70 3 2 0 101.89 6.10 5 2 0 2.30 0.40 5 2 0 1.60 0.50 6 2 0 16.60 1.10 6 2 0 13.60 1.00 7 2 0 145.39 8.70 7 2 0 158.18 8.80 8 2 0 0.30 0.30 8 2 0 0.30 0.60 8 2 0 0.40 0.30 9 2 0 48.20 3.00 9 2 0 48.20 3.10 10 2 0 14.20 1.20 10 2 0 14.60 1.30 -11 -2 0 0.40 0.40 -11 -2 0 0.40 0.20 11 2 0 0.80 0.30 11 2 0 0.90 0.30 11 2 0 1.80 0.30 11 2 0 1.00 0.60 11 2 0 0.40 0.20 11 2 0 0.00 0.50 11 2 0 0.60 0.40 11 2 0 0.70 0.30 11 2 0 0.90 0.30 11 2 0 0.60 0.50 -12 -2 0 105.79 6.30 -12 -2 0 94.79 6.60 12 2 0 114.49 6.60 12 2 0 115.29 6.40 12 2 0 115.19 6.40 12 2 0 109.89 6.30 12 2 0 111.69 6.30 12 2 0 112.59 6.40 12 2 0 112.69 6.50 12 2 0 119.99 6.60 12 2 0 110.39 6.30 -13 -2 0 2.60 0.40 13 2 0 3.20 0.40 13 2 0 3.70 0.40 13 2 0 2.50 0.70 13 2 0 4.20 0.40 13 2 0 3.10 0.50 13 2 0 3.50 0.40 13 2 0 3.80 0.40 13 2 0 3.80 0.60 13 2 0 3.60 0.70 -14 -2 0 6.00 0.60 14 2 0 8.00 0.60 14 2 0 7.20 0.60 14 2 0 7.40 0.90 14 2 0 8.20 0.90 14 2 0 7.40 0.70 14 2 0 7.40 0.60 14 2 0 4.80 0.60 14 2 0 8.00 0.70 -15 -2 0 -0.40 0.20 15 2 0 0.30 0.20 15 2 0 0.20 0.20 15 2 0 0.30 0.20 15 2 0 -0.30 0.30 -16 -2 0 1.10 0.20 -16 -2 0 0.90 0.20 16 2 0 1.10 0.20 16 2 0 1.10 0.20 16 2 0 1.20 0.30 16 2 0 1.20 0.20 16 -3 0 0.60 0.30 16 -3 0 0.70 0.40 16 -3 0 0.60 0.20 -16 3 0 0.70 0.20 -16 3 0 0.80 0.20 15 -3 0 0.50 0.20 15 -3 0 0.20 0.30 15 -3 0 0.00 0.40 15 -3 0 0.40 0.30 -15 3 0 0.20 0.20 -15 3 0 0.50 0.30 14 -3 0 39.70 2.20 14 -3 0 37.60 2.20 14 -3 0 35.30 2.30 14 -3 0 39.00 2.40 14 -3 0 34.60 2.40 14 -3 0 36.10 2.10 -14 3 0 32.40 2.40 -14 3 0 34.50 2.20 13 -3 0 65.99 3.80 13 -3 0 70.99 4.10 13 -3 0 63.69 3.80 13 -3 0 64.99 3.90 13 -3 0 62.89 3.80 -13 3 0 66.79 4.10 -13 3 0 64.19 3.80 12 -3 0 5.70 0.90 12 -3 0 5.70 0.60 12 -3 0 7.10 0.60 12 -3 0 4.70 0.60 12 -3 0 5.30 0.80 12 -3 0 6.50 1.00 12 -3 0 5.80 0.60 -12 3 0 5.80 0.90 -12 3 0 5.60 0.60 11 -3 0 33.90 2.10 11 -3 0 33.20 2.30 11 -3 0 32.70 2.10 11 -3 0 36.80 2.10 11 -3 0 35.50 2.40 11 -3 0 31.90 2.60 11 -3 0 34.90 2.20 11 -3 0 33.80 2.10 -11 3 0 35.00 2.10 -11 3 0 38.60 2.50 10 -3 0 4.30 0.70 10 -3 0 3.80 0.60 -10 3 0 4.10 0.70 9 -3 0 17.70 1.30 9 -3 0 16.60 1.30 -9 3 0 17.90 1.40 8 -3 0 10.10 0.90 8 -3 0 11.50 0.90 -8 3 0 10.70 1.10 7 -3 0 163.88 9.00 7 -3 0 151.48 9.10 -7 3 0 159.38 9.20 6 -3 0 328.47 18.10 -6 3 0 311.97 18.10 5 -3 0 358.96 18.10 5 -3 0 318.97 18.20 -5 3 0 282.67 18.10 4 -3 0 311.37 17.60 -3 3 0 354.46 20.00 -1 3 0 1024.30 57.99 0 3 0 449.26 25.40 2 3 0 318.87 15.70 2 3 0 236.18 15.80 3 3 0 325.57 18.70 5 3 0 4.20 0.50 5 3 0 2.70 0.70 6 3 0 605.14 35.50 6 3 0 656.73 35.60 7 3 0 33.70 2.20 7 3 0 32.00 2.00 8 3 0 21.60 1.60 8 3 0 22.00 1.40 8 3 0 17.60 2.10 9 3 0 119.79 7.00 9 3 0 114.79 6.90 -10 -3 0 0.80 0.40 10 3 0 0.60 0.50 10 3 0 0.40 0.50 10 3 0 1.20 0.30 10 3 0 1.10 0.30 10 3 0 1.00 0.40 10 3 0 0.30 0.30 -11 -3 0 2.50 0.60 11 3 0 1.80 0.30 11 3 0 2.60 0.30 11 3 0 2.20 0.40 11 3 0 2.10 0.30 11 3 0 1.40 0.40 11 3 0 2.70 0.30 11 3 0 3.30 0.40 11 3 0 4.00 0.70 -12 -3 0 -0.60 0.20 -12 -3 0 0.60 0.50 12 3 0 -0.90 0.30 12 3 0 -0.30 0.20 12 3 0 0.00 0.30 12 3 0 -0.40 0.50 12 3 0 0.10 0.40 12 3 0 0.30 0.20 12 3 0 -0.20 0.30 12 3 0 -0.60 0.20 -13 -3 0 5.10 0.50 13 3 0 4.90 0.50 13 3 0 5.10 0.50 13 3 0 3.90 0.40 13 3 0 6.00 0.70 13 3 0 3.90 0.50 13 3 0 4.60 0.80 13 3 0 4.70 0.50 13 3 0 6.10 0.60 -14 -3 0 0.10 0.20 14 3 0 0.10 0.20 14 3 0 0.30 0.30 14 3 0 -0.10 0.20 14 3 0 0.40 0.20 14 3 0 0.20 0.20 14 3 0 0.40 0.30 14 3 0 0.00 0.30 14 3 0 -0.10 0.40 -15 -3 0 0.80 0.20 15 3 0 1.10 0.30 15 3 0 1.00 0.20 15 3 0 1.10 0.20 15 3 0 0.70 0.30 -16 -3 0 2.10 0.20 16 3 0 1.90 0.20 16 3 0 1.70 0.30 16 3 0 2.20 0.30 16 3 0 2.00 0.30 16 -4 0 0.30 0.20 16 -4 0 0.00 0.30 16 -4 0 0.10 0.30 -16 4 0 0.20 0.20 -16 4 0 0.00 0.20 15 -4 0 6.80 0.60 15 -4 0 6.70 0.60 15 -4 0 5.50 0.70 -15 4 0 6.00 0.60 -15 4 0 5.80 0.60 14 -4 0 17.90 1.20 14 -4 0 18.90 1.40 14 -4 0 16.80 1.30 14 -4 0 19.20 1.50 14 -4 0 19.30 1.20 14 -4 0 19.90 1.20 -14 4 0 18.30 1.20 -14 4 0 16.80 1.50 -14 4 0 18.50 1.20 13 -4 0 4.10 0.50 13 -4 0 3.90 0.50 13 -4 0 3.90 0.70 13 -4 0 3.70 0.60 13 -4 0 2.80 0.80 13 -4 0 2.80 0.70 13 -4 0 3.90 0.40 -13 4 0 4.20 0.50 -13 4 0 4.70 0.80 12 -4 0 -0.20 0.70 12 -4 0 0.10 0.30 12 -4 0 0.50 0.60 12 -4 0 0.60 0.30 12 -4 0 0.00 0.40 12 -4 0 0.50 0.30 12 -4 0 0.50 0.50 -12 4 0 0.90 0.60 -12 4 0 0.40 0.30 11 -4 0 0.90 0.30 11 -4 0 0.40 0.50 11 -4 0 0.60 0.80 11 -4 0 1.30 0.30 11 -4 0 0.30 0.40 11 -4 0 0.80 0.50 11 -4 0 0.80 0.30 -11 4 0 1.00 0.60 -11 4 0 1.50 0.30 10 -4 0 61.09 3.90 -10 4 0 68.59 4.10 9 -4 0 114.69 6.70 9 -4 0 105.69 6.70 -9 4 0 125.79 6.90 8 -4 0 0.80 0.30 8 -4 0 1.80 0.40 -8 4 0 0.90 0.50 7 -4 0 52.29 3.10 7 -4 0 48.60 3.10 -7 4 0 53.99 3.30 -7 4 0 54.79 3.20 6 -4 0 254.37 13.40 -6 4 0 235.78 13.50 -6 4 0 219.78 13.50 5 -4 0 323.17 16.30 -5 4 0 254.07 16.40 4 -4 0 10.80 0.80 3 -4 0 26.70 1.60 -2 4 0 196.28 11.20 -1 4 0 246.08 13.90 0 4 0 8.40 0.70 1 4 0 24.50 1.70 1 4 0 32.00 2.00 2 4 0 48.50 2.60 2 4 0 38.70 2.80 -3 -4 0 0.60 0.20 3 4 0 1.20 0.20 3 4 0 0.30 0.40 3 4 0 0.80 0.10 5 4 0 192.48 13.30 5 4 0 258.97 12.90 6 4 0 12.80 0.90 6 4 0 16.00 1.10 6 4 0 10.50 1.50 7 4 0 24.80 2.50 7 4 0 34.40 2.10 7 4 0 30.70 1.90 -8 -4 0 25.10 1.80 8 4 0 24.00 2.50 8 4 0 28.80 1.80 8 4 0 28.10 1.90 -9 -4 0 21.70 1.70 9 4 0 24.90 1.80 9 4 0 22.10 1.60 -10 -4 0 17.80 1.50 10 4 0 16.70 1.10 10 4 0 21.00 1.50 10 4 0 18.90 1.20 10 4 0 18.40 1.20 10 4 0 17.20 1.30 10 4 0 19.10 1.20 10 4 0 17.10 1.20 -11 -4 0 11.80 1.20 11 4 0 11.60 1.10 11 4 0 12.60 0.90 11 4 0 13.60 0.90 11 4 0 13.30 0.90 11 4 0 12.10 0.90 11 4 0 13.60 0.90 11 4 0 11.90 0.80 11 4 0 13.70 1.20 -12 -4 0 58.99 3.60 12 4 0 65.29 3.70 12 4 0 60.39 3.70 12 4 0 69.29 3.90 12 4 0 60.99 3.70 12 4 0 68.39 3.70 12 4 0 61.79 3.60 12 4 0 62.59 3.60 12 4 0 61.99 3.80 12 4 0 59.69 3.60 -13 -4 0 9.40 0.70 13 4 0 9.30 0.80 13 4 0 8.40 1.00 13 4 0 9.60 0.80 13 4 0 9.60 0.80 13 4 0 9.10 0.70 13 4 0 8.60 0.70 13 4 0 9.50 0.70 13 4 0 8.30 0.90 -14 -4 0 1.40 0.20 14 4 0 2.20 0.30 14 4 0 2.20 0.40 14 4 0 1.80 0.50 14 4 0 1.60 0.30 14 4 0 1.60 0.30 14 4 0 1.60 0.30 14 4 0 1.80 0.30 -15 -4 0 0.10 0.20 15 4 0 0.70 0.20 15 4 0 0.30 0.20 15 4 0 0.30 0.20 15 4 0 0.70 0.30 -16 -4 0 1.70 0.20 16 4 0 1.10 0.20 16 4 0 1.80 0.20 16 -5 0 0.40 0.30 16 -5 0 0.60 0.30 16 -5 0 0.60 0.10 -16 5 0 0.40 0.20 -16 5 0 0.30 0.20 15 -5 0 0.60 0.40 15 -5 0 1.40 0.40 15 -5 0 1.00 0.30 -15 5 0 0.90 0.30 -15 5 0 0.80 0.30 14 -5 0 0.50 0.50 14 -5 0 0.60 0.40 14 -5 0 0.40 0.60 14 -5 0 0.90 0.30 14 -5 0 1.00 0.50 14 -5 0 0.30 0.30 -14 5 0 0.40 0.50 -14 5 0 0.50 0.30 -14 5 0 0.70 0.30 13 -5 0 0.00 0.60 13 -5 0 0.20 0.30 13 -5 0 0.70 0.60 13 -5 0 0.00 0.40 13 -5 0 0.10 0.30 13 -5 0 0.10 0.50 13 -5 0 0.40 0.30 -13 5 0 0.40 0.60 -13 5 0 0.30 0.30 -13 5 0 0.30 0.30 12 -5 0 37.80 2.40 12 -5 0 38.50 2.50 12 -5 0 36.80 2.60 12 -5 0 42.70 2.70 12 -5 0 39.60 2.90 12 -5 0 40.00 2.40 12 -5 0 39.40 2.40 -12 5 0 38.80 2.40 -12 5 0 44.30 2.80 11 -5 0 99.99 6.00 11 -5 0 97.49 6.10 11 -5 0 104.39 6.10 11 -5 0 109.39 6.10 11 -5 0 110.79 6.30 11 -5 0 105.19 6.20 11 -5 0 100.99 6.50 -11 5 0 101.19 6.00 -11 5 0 119.29 6.40 10 -5 0 8.70 0.90 -10 5 0 11.10 1.10 9 -5 0 78.59 4.90 -9 5 0 88.69 5.10 8 -5 0 6.10 0.60 8 -5 0 6.00 0.70 -8 5 0 8.10 0.90 7 -5 0 77.29 4.40 7 -5 0 66.39 4.40 -7 5 0 78.59 4.50 -7 5 0 76.69 4.50 6 -5 0 46.40 2.70 -6 5 0 43.80 2.90 -6 5 0 47.10 2.90 5 -5 0 49.50 2.70 -5 5 0 39.40 2.80 4 -5 0 695.23 39.10 -3 5 0 22.20 1.40 -2 5 0 20.40 1.40 -1 5 0 1544.65 87.39 0 5 0 728.53 41.00 1 5 0 1.30 0.40 1 5 0 0.90 0.20 -2 -5 0 45.30 2.50 2 5 0 36.20 2.80 2 5 0 42.60 2.50 -3 -5 0 587.44 35.00 3 5 0 655.13 35.00 -4 -5 0 422.86 21.10 4 5 0 320.87 21.40 -5 -5 0 22.90 1.50 5 5 0 19.20 2.00 5 5 0 22.10 1.50 5 5 0 23.80 1.40 -6 -5 0 934.01 51.39 6 5 0 997.40 51.49 6 5 0 945.51 51.29 6 5 0 773.82 51.89 -7 -5 0 86.89 5.00 7 5 0 73.19 5.70 7 5 0 89.09 4.90 -8 -5 0 226.78 12.30 8 5 0 222.88 12.20 8 5 0 188.38 13.00 -9 -5 0 95.79 5.70 9 5 0 91.69 5.50 -10 -5 0 140.19 8.90 10 5 0 160.58 8.80 10 5 0 157.78 8.60 10 5 0 157.98 8.60 10 5 0 153.88 8.70 10 5 0 145.89 8.60 10 5 0 152.58 8.60 10 5 0 149.69 8.60 10 5 0 146.59 8.60 -11 -5 0 0.30 0.40 11 5 0 -0.30 0.20 11 5 0 0.20 0.20 11 5 0 -0.40 0.50 11 5 0 0.10 0.20 11 5 0 0.10 0.20 11 5 0 0.00 0.20 11 5 0 -0.10 0.20 11 5 0 0.00 0.40 -12 -5 0 12.20 1.30 -12 -5 0 12.30 1.00 12 5 0 13.50 1.10 12 5 0 15.60 1.00 12 5 0 14.30 1.00 12 5 0 14.70 1.00 12 5 0 15.60 1.30 12 5 0 14.30 0.90 12 5 0 14.00 1.00 12 5 0 13.80 1.00 12 5 0 14.70 1.00 -13 -5 0 40.00 2.40 13 5 0 42.20 2.40 13 5 0 40.90 2.40 13 5 0 43.00 2.60 13 5 0 45.10 2.50 13 5 0 41.20 2.50 13 5 0 41.50 2.70 13 5 0 41.30 2.50 13 5 0 38.90 2.40 -14 -5 0 4.10 0.40 14 5 0 4.10 0.40 14 5 0 3.70 0.40 14 5 0 4.20 0.40 14 5 0 4.00 0.40 14 5 0 3.60 0.50 14 5 0 3.60 0.40 -15 -5 0 4.00 0.40 -15 -5 0 4.60 0.40 15 5 0 4.60 0.50 15 5 0 4.20 0.40 15 5 0 4.60 0.40 15 5 0 4.20 0.40 16 -6 0 7.20 0.70 -16 6 0 6.70 0.50 -16 6 0 7.00 0.50 15 -6 0 1.80 0.50 15 -6 0 2.00 0.30 15 -6 0 1.80 0.50 -15 6 0 1.80 0.30 -15 6 0 1.80 0.30 14 -6 0 2.90 0.40 14 -6 0 3.30 0.60 14 -6 0 4.00 0.50 14 -6 0 2.90 0.70 14 -6 0 1.90 0.50 14 -6 0 2.90 0.40 -14 6 0 3.10 0.40 -14 6 0 3.40 0.40 -14 6 0 3.00 0.70 13 -6 0 0.40 0.30 13 -6 0 -0.30 0.50 13 -6 0 0.70 0.40 13 -6 0 -0.60 0.30 13 -6 0 0.20 0.70 13 -6 0 0.10 0.50 13 -6 0 -0.10 0.30 -13 6 0 0.30 0.30 -13 6 0 0.30 0.30 -13 6 0 0.40 0.60 12 -6 0 12.60 1.60 12 -6 0 14.00 1.00 12 -6 0 15.70 1.50 12 -6 0 12.30 0.90 12 -6 0 14.50 1.30 12 -6 0 13.40 1.00 12 -6 0 11.50 1.20 -12 6 0 15.20 1.40 -12 6 0 12.70 1.00 -12 6 0 14.60 1.00 11 -6 0 4.40 0.70 11 -6 0 4.30 0.50 11 -6 0 5.20 0.50 11 -6 0 3.80 0.70 11 -6 0 3.40 1.00 11 -6 0 4.70 0.50 -11 6 0 4.10 0.80 -11 6 0 4.20 0.50 10 -6 0 34.50 2.20 10 -6 0 27.00 1.90 10 -6 0 28.20 1.80 10 -6 0 24.00 2.30 -10 6 0 32.50 2.20 9 -6 0 172.28 10.40 -9 6 0 190.88 10.60 8 -6 0 18.00 1.30 -8 6 0 19.40 1.50 7 -6 0 274.07 17.10 7 -6 0 314.37 17.10 -7 6 0 313.87 17.30 -7 6 0 305.57 17.30 6 -6 0 135.59 8.10 6 -6 0 150.58 8.10 -6 6 0 141.59 8.20 -6 6 0 136.79 8.20 5 -6 0 87.09 4.70 -5 6 0 74.99 4.90 3 -6 0 8.40 0.60 -3 6 0 9.00 0.70 -2 6 0 371.66 21.10 -1 6 0 872.91 49.10 0 -6 0 221.98 12.70 0 6 0 228.38 13.00 1 6 0 14.20 1.10 1 6 0 16.70 1.40 -2 -6 0 1.60 0.30 2 6 0 1.40 0.30 2 6 0 1.30 0.60 -3 -6 0 63.09 3.40 3 6 0 48.40 3.70 -4 -6 0 151.98 8.10 4 6 0 126.39 8.50 -5 -6 0 95.09 5.10 5 6 0 90.89 5.00 5 6 0 72.89 5.60 -6 -6 0 91.59 5.30 6 6 0 92.99 5.20 6 6 0 81.19 6.00 -7 -6 0 129.79 7.20 7 6 0 127.79 7.10 7 6 0 109.59 8.00 -8 -6 0 160.68 9.10 8 6 0 161.88 8.90 8 6 0 140.59 9.90 -9 -6 0 1.10 0.50 9 6 0 1.70 0.50 9 6 0 1.20 0.30 9 6 0 1.60 0.30 9 6 0 0.90 0.20 9 6 0 1.00 0.30 9 6 0 0.60 0.30 9 6 0 0.80 0.20 9 6 0 1.20 0.40 9 6 0 1.40 1.10 -10 -6 0 2.70 0.60 10 6 0 3.70 0.40 10 6 0 4.70 0.80 10 6 0 3.40 0.40 10 6 0 3.00 0.50 10 6 0 3.70 0.40 10 6 0 3.30 0.40 10 6 0 4.10 0.40 10 6 0 3.90 0.40 -11 -6 0 18.10 1.70 11 6 0 21.60 1.30 11 6 0 22.40 1.40 11 6 0 21.60 1.40 11 6 0 22.10 1.30 11 6 0 23.20 1.40 11 6 0 22.00 1.40 11 6 0 20.60 1.60 11 6 0 22.20 1.50 -12 -6 0 -0.10 0.20 12 6 0 -0.10 0.20 12 6 0 -0.10 0.20 12 6 0 0.00 0.30 12 6 0 -0.10 0.30 12 6 0 0.00 0.30 12 6 0 -0.20 0.40 12 6 0 0.20 0.50 12 6 0 0.10 0.20 12 6 0 0.00 0.30 -13 -6 0 0.20 0.20 13 6 0 -0.20 0.20 13 6 0 -0.10 0.20 13 6 0 -0.20 0.30 13 6 0 -0.20 0.20 13 6 0 -0.10 0.20 13 6 0 0.00 0.20 13 6 0 0.10 0.50 13 6 0 0.10 0.30 -14 -6 0 0.30 0.20 14 6 0 -0.10 0.20 14 6 0 0.20 0.20 14 6 0 0.40 0.30 14 6 0 0.30 0.20 14 6 0 0.40 0.20 14 6 0 0.40 0.20 -15 -6 0 1.90 0.30 -15 -6 0 1.80 0.20 15 6 0 2.40 0.30 15 6 0 2.40 0.20 15 6 0 2.60 0.30 15 6 0 2.60 0.30 16 -7 0 3.00 0.50 16 -7 0 2.90 0.40 -16 7 0 2.70 0.30 15 -7 0 8.50 1.00 15 -7 0 8.30 0.90 15 -7 0 9.10 0.60 -15 7 0 7.20 0.60 -15 7 0 8.00 0.70 14 -7 0 16.00 1.10 14 -7 0 15.50 1.00 14 -7 0 15.60 1.30 14 -7 0 15.20 1.40 -14 7 0 15.90 1.10 -14 7 0 15.40 1.00 -14 7 0 16.30 1.40 13 -7 0 41.70 2.90 13 -7 0 35.00 2.60 13 -7 0 43.90 2.70 13 -7 0 44.50 2.50 13 -7 0 40.40 2.40 -13 7 0 41.00 2.80 -13 7 0 42.90 2.50 -13 7 0 38.90 2.40 12 -7 0 19.50 1.60 12 -7 0 21.20 1.40 12 -7 0 21.90 1.70 12 -7 0 20.10 1.90 12 -7 0 22.20 1.40 -12 7 0 19.60 1.40 -12 7 0 20.70 1.40 -12 7 0 22.00 1.80 11 -7 0 67.99 4.70 11 -7 0 72.49 4.30 11 -7 0 75.69 4.50 11 -7 0 77.59 4.30 11 -7 0 77.39 4.30 11 -7 0 73.29 4.50 -11 7 0 71.89 4.30 -11 7 0 68.29 4.30 -11 7 0 82.89 4.70 10 -7 0 11.60 1.00 10 -7 0 12.00 0.90 10 -7 0 11.70 1.20 10 -7 0 11.60 0.80 10 -7 0 11.20 0.90 10 -7 0 11.10 1.40 -10 7 0 13.10 1.30 -10 7 0 10.10 0.90 -10 7 0 10.80 0.80 9 -7 0 1.70 0.40 -9 7 0 1.70 0.60 8 -7 0 36.80 2.40 -8 7 0 39.50 2.60 -8 7 0 39.10 2.60 7 -7 0 33.10 2.10 -7 7 0 34.10 2.30 -7 7 0 35.50 2.30 6 -7 0 148.29 9.10 6 -7 0 173.38 9.00 -6 7 0 158.78 9.30 -6 7 0 153.98 9.20 5 -7 0 24.70 1.60 -5 7 0 25.60 1.80 -5 7 0 23.50 1.70 4 -7 0 61.69 3.40 -4 7 0 52.89 3.60 3 -7 0 144.69 8.60 -3 7 0 157.68 8.70 2 -7 0 0.40 0.20 -2 7 0 0.30 0.30 -2 7 0 0.50 0.30 1 -7 0 682.93 40.50 -1 7 0 757.32 40.70 0 -7 0 397.96 22.90 0 7 0 415.06 23.30 -1 -7 0 1.90 0.30 1 7 0 3.00 0.70 1 7 0 1.50 0.40 -2 -7 0 102.99 5.90 2 7 0 96.39 6.40 2 7 0 107.39 5.90 -3 -7 0 184.38 10.10 3 7 0 168.58 10.60 -4 -7 0 96.49 5.60 4 7 0 101.59 5.50 4 7 0 85.39 6.10 -5 -7 0 85.29 5.20 5 7 0 80.39 5.80 5 7 0 94.59 5.10 -6 -7 0 18.40 1.40 6 7 0 18.50 2.30 6 7 0 19.40 1.30 -7 -7 0 106.59 6.30 7 7 0 96.29 7.10 7 7 0 110.59 6.10 -8 -7 0 57.69 3.70 8 7 0 61.29 3.60 8 7 0 55.09 4.60 -9 -7 0 56.69 3.90 9 7 0 61.99 3.60 9 7 0 64.19 3.90 9 7 0 59.99 3.60 9 7 0 65.49 3.60 9 7 0 63.59 3.60 9 7 0 65.59 3.60 9 7 0 60.19 3.70 9 7 0 63.79 3.60 9 7 0 60.89 3.60 -10 -7 0 15.50 1.50 10 7 0 17.90 1.20 10 7 0 18.90 1.20 10 7 0 21.20 1.50 10 7 0 18.90 1.20 10 7 0 19.40 1.20 10 7 0 19.90 1.40 10 7 0 17.70 1.20 10 7 0 18.90 1.20 -11 -7 0 2.60 0.60 11 7 0 4.80 0.50 11 7 0 5.10 0.80 11 7 0 4.10 0.40 11 7 0 6.00 0.50 11 7 0 3.60 0.40 11 7 0 3.90 0.40 11 7 0 5.10 0.50 11 7 0 6.30 0.70 11 7 0 4.10 0.40 -12 -7 0 -0.10 0.20 12 7 0 -0.20 0.30 12 7 0 0.10 0.20 12 7 0 0.00 0.20 12 7 0 -0.10 0.30 12 7 0 0.10 0.20 12 7 0 -0.30 0.30 12 7 0 -0.30 0.20 12 7 0 0.20 0.50 12 7 0 0.00 0.30 -13 -7 0 0.00 0.20 13 7 0 -0.10 0.20 13 7 0 -0.40 0.20 13 7 0 -0.10 0.20 13 7 0 0.40 0.50 13 7 0 -0.10 0.20 13 7 0 0.10 0.20 13 7 0 -0.10 0.20 13 7 0 -0.30 0.30 -14 -7 0 0.70 0.20 14 7 0 0.60 0.20 14 7 0 0.60 0.30 14 7 0 0.90 0.20 14 7 0 1.10 0.20 14 7 0 0.90 0.20 14 7 0 0.70 0.20 -15 -7 0 0.30 0.20 15 7 0 0.50 0.10 15 7 0 0.20 0.20 16 -8 0 0.00 0.30 16 -8 0 -0.10 0.30 -16 8 0 0.30 0.20 15 -8 0 6.20 0.80 15 -8 0 7.60 0.70 -15 8 0 6.30 0.60 14 -8 0 1.10 0.60 14 -8 0 1.50 0.30 14 -8 0 1.30 0.50 14 -8 0 1.60 0.30 -14 8 0 1.70 0.30 -14 8 0 1.30 0.30 -14 8 0 1.60 0.30 -14 8 0 1.50 0.60 13 -8 0 0.20 0.30 13 -8 0 0.40 0.30 13 -8 0 -0.20 0.40 13 -8 0 -0.60 0.60 -13 8 0 -0.10 0.50 -13 8 0 -0.30 0.30 -13 8 0 0.10 0.30 12 -8 0 32.80 2.30 12 -8 0 35.30 2.10 12 -8 0 36.40 2.20 12 -8 0 35.30 2.60 12 -8 0 37.00 2.40 -12 8 0 33.90 2.10 -12 8 0 35.80 2.50 -12 8 0 34.90 2.20 11 -8 0 23.40 2.10 11 -8 0 24.80 1.60 11 -8 0 25.10 1.80 11 -8 0 24.60 1.60 11 -8 0 24.20 1.70 -11 8 0 23.40 1.50 -11 8 0 24.40 1.60 -11 8 0 25.30 1.90 10 -8 0 97.59 5.30 10 -8 0 77.99 5.40 10 -8 0 83.39 5.70 10 -8 0 89.89 5.50 10 -8 0 89.59 5.40 10 -8 0 95.89 5.30 -10 8 0 93.69 5.30 -10 8 0 94.79 5.30 -10 8 0 104.19 5.70 9 -8 0 11.40 1.00 -9 8 0 12.10 1.30 8 -8 0 70.69 4.30 -8 8 0 73.99 4.50 -8 8 0 72.89 4.50 7 -8 0 148.09 8.20 -7 8 0 141.09 8.50 -7 8 0 142.09 8.40 6 -8 0 236.88 14.40 6 -8 0 267.87 14.20 -6 8 0 244.98 14.50 -6 8 0 256.07 14.40 5 -8 0 298.17 18.20 5 -8 0 362.16 18.20 -5 8 0 322.47 18.30 -5 8 0 304.87 18.40 4 -8 0 147.69 8.40 -4 8 0 144.99 8.60 3 -8 0 152.58 9.40 -3 8 0 176.78 9.60 2 -8 0 980.30 57.49 -2 8 0 1066.69 57.69 1 -8 0 571.24 32.30 -1 8 0 487.25 32.50 -1 8 0 665.83 32.70 0 -8 0 758.62 42.30 0 8 0 832.02 42.70 0 8 0 663.23 42.30 -1 -8 0 3.30 0.40 1 8 0 2.20 0.40 1 8 0 1.90 0.60 1 8 0 1.30 0.50 -2 -8 0 144.39 8.50 2 8 0 162.98 8.60 2 8 0 137.89 9.00 -3 -8 0 22.80 1.50 3 8 0 19.50 2.00 3 8 0 23.30 1.40 -4 -8 0 172.38 9.80 4 8 0 155.58 10.40 4 8 0 179.88 9.70 -5 -8 0 578.34 30.90 5 8 0 464.35 31.10 5 8 0 521.25 31.60 5 8 0 614.84 30.70 -6 -8 0 25.50 1.80 6 8 0 26.50 1.70 6 8 0 21.20 2.60 -7 -8 0 169.58 9.40 7 8 0 167.08 9.30 7 8 0 143.29 10.20 -8 -8 0 26.80 2.10 8 8 0 29.50 3.30 8 8 0 30.20 1.80 8 8 0 29.80 1.80 8 8 0 29.90 1.80 8 8 0 31.40 1.80 8 8 0 30.00 1.80 8 8 0 29.40 1.80 8 8 0 30.50 1.80 8 8 0 32.40 2.10 -9 -8 0 41.80 3.10 9 8 0 45.60 2.70 9 8 0 47.60 2.70 9 8 0 49.60 2.80 9 8 0 47.00 2.70 9 8 0 47.00 2.70 9 8 0 45.90 2.70 9 8 0 47.20 3.00 9 8 0 46.80 2.70 -10 -8 0 0.60 0.50 -10 -8 0 0.50 0.20 10 8 0 0.40 0.30 10 8 0 0.10 0.20 10 8 0 0.10 0.20 10 8 0 0.20 0.20 10 8 0 0.40 0.50 10 8 0 0.10 0.30 10 8 0 0.50 0.40 10 8 0 0.50 0.20 -11 -8 0 -0.30 0.40 11 8 0 -0.20 0.20 11 8 0 0.00 0.20 11 8 0 -0.10 0.50 11 8 0 -0.40 0.30 11 8 0 0.00 0.20 11 8 0 -0.60 0.20 11 8 0 -0.60 0.30 11 8 0 -0.20 0.20 11 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10 -9 0 5.00 0.60 10 -9 0 3.30 0.70 10 -9 0 4.00 0.50 10 -9 0 3.30 0.50 10 -9 0 2.90 0.60 -10 9 0 4.40 0.80 -10 9 0 4.10 0.50 9 -9 0 2.40 0.80 9 -9 0 2.40 0.50 9 -9 0 3.10 0.40 9 -9 0 2.00 0.60 9 -9 0 2.60 0.40 -9 9 0 2.60 0.70 -9 9 0 2.00 0.40 8 -9 0 40.80 2.50 -8 9 0 40.50 2.80 -8 9 0 41.50 2.80 7 -9 0 36.20 2.20 -7 9 0 32.40 2.50 -7 9 0 36.00 2.40 6 -9 0 162.28 8.90 -6 9 0 149.88 9.20 -6 9 0 155.28 9.10 5 -9 0 2.70 0.40 5 -9 0 1.60 0.30 -5 9 0 2.70 0.50 -5 9 0 2.20 0.60 4 -9 0 43.10 2.80 4 -9 0 52.59 2.70 -4 9 0 45.20 3.10 -4 9 0 44.10 3.00 3 -9 0 130.59 7.40 -3 9 0 127.09 7.60 -3 9 0 129.19 7.70 2 -9 0 67.79 3.80 -2 9 0 56.29 4.00 -2 9 0 66.09 4.00 1 -9 0 879.31 50.39 -1 9 0 914.51 50.59 0 -9 0 258.17 14.80 0 9 0 262.77 14.90 -1 -9 0 12.40 1.00 1 9 0 13.30 1.50 1 9 0 14.40 0.90 1 9 0 13.60 1.10 -2 -9 0 7.60 0.80 2 9 0 9.80 0.70 2 9 0 8.10 1.20 -3 -9 0 104.79 6.40 3 9 0 103.29 7.00 3 9 0 121.09 6.30 -4 -9 0 4.00 0.60 4 9 0 2.80 1.00 4 9 0 2.50 0.70 -5 -9 0 9.90 1.00 5 9 0 9.20 1.70 5 9 0 9.20 1.20 5 9 0 11.80 0.90 -6 -9 0 43.90 2.80 6 9 0 37.20 3.60 6 9 0 41.90 2.60 -7 -9 0 10.40 1.10 7 9 0 9.90 0.70 7 9 0 12.60 1.00 7 9 0 9.70 0.90 7 9 0 8.60 0.90 7 9 0 11.10 0.80 7 9 0 9.60 1.90 -8 -9 0 15.80 1.50 8 9 0 17.30 1.10 8 9 0 17.20 1.10 8 9 0 16.90 1.10 8 9 0 17.30 1.10 8 9 0 16.30 1.10 8 9 0 17.80 1.20 8 9 0 16.40 1.30 8 9 0 17.60 1.10 -9 -9 0 2.10 0.60 9 9 0 2.90 0.40 9 9 0 3.30 0.40 9 9 0 2.40 0.30 9 9 0 2.50 0.30 9 9 0 1.80 0.30 9 9 0 2.00 0.30 9 9 0 2.70 0.40 -10 -9 0 13.10 1.40 -10 -9 0 16.00 1.00 10 9 0 16.70 1.10 10 9 0 16.90 1.10 10 9 0 16.40 1.10 10 9 0 15.90 1.40 10 9 0 16.50 1.10 10 9 0 17.30 1.10 10 9 0 16.70 1.10 10 9 0 15.90 1.00 11 9 0 2.40 0.40 11 9 0 1.50 0.30 11 9 0 1.70 0.50 11 9 0 2.00 0.30 11 9 0 2.00 0.30 11 9 0 1.70 0.30 11 9 0 1.80 0.30 11 9 0 1.90 0.40 -12 -9 0 8.80 0.70 12 9 0 10.50 0.70 12 9 0 8.90 0.70 12 9 0 10.70 0.70 12 9 0 9.30 0.70 12 9 0 10.00 1.00 12 9 0 9.90 0.70 12 9 0 8.80 0.70 12 9 0 9.20 0.60 -13 -9 0 0.60 0.20 13 9 0 0.00 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143.59 10.20 8 -10 0 160.88 10.80 -8 10 0 187.08 10.10 -8 10 0 193.48 10.00 -8 10 0 163.88 9.80 -7 10 0 19.20 1.70 -7 10 0 19.70 1.50 -6 10 0 44.20 2.80 -6 10 0 39.50 2.90 5 -10 0 4.50 0.70 -5 10 0 3.50 0.80 4 -10 0 31.40 2.10 4 -10 0 37.60 2.20 -4 10 0 36.10 2.50 -4 10 0 34.40 2.40 3 -10 0 456.75 22.90 3 -10 0 360.36 22.90 -3 10 0 449.95 22.90 -3 10 0 391.06 23.20 -3 10 0 374.06 23.20 2 -10 0 430.16 25.00 -2 10 0 392.26 25.20 -2 10 0 496.35 24.90 -2 10 0 448.16 25.20 1 -10 0 137.29 8.90 -1 10 0 149.19 9.10 -1 10 0 167.48 9.30 -1 10 0 164.28 8.80 0 -10 0 221.68 14.40 0 10 0 275.97 15.00 0 10 0 266.07 14.40 0 10 0 254.07 14.60 -1 -10 0 97.99 6.30 1 10 0 114.29 6.40 1 10 0 114.39 6.20 1 10 0 105.09 6.80 -2 -10 0 3.80 0.60 2 10 0 3.30 1.00 2 10 0 2.60 0.70 2 10 0 3.80 0.50 -3 -10 0 2.60 0.50 3 10 0 1.90 0.70 3 10 0 2.40 1.00 3 10 0 2.20 0.40 -4 -10 0 343.97 18.50 4 10 0 338.57 18.40 4 10 0 321.07 19.30 4 10 0 290.37 18.70 -5 -10 0 5.00 0.80 5 10 0 4.50 0.60 5 10 0 5.70 1.50 5 10 0 5.90 1.10 -6 -10 0 44.00 2.90 6 10 0 46.90 2.80 6 10 0 38.90 3.70 -7 -10 0 96.29 6.20 7 10 0 102.09 5.80 7 10 0 103.39 5.80 7 10 0 104.89 6.00 7 10 0 102.39 5.80 7 10 0 99.49 5.80 7 10 0 98.09 5.80 7 10 0 100.59 5.80 7 10 0 105.19 5.80 -8 -10 0 2.60 0.70 8 10 0 3.00 0.40 8 10 0 3.20 0.40 8 10 0 3.30 0.40 8 10 0 3.80 0.40 8 10 0 3.40 0.40 8 10 0 3.30 0.60 8 10 0 3.60 0.40 8 10 0 3.80 0.40 -9 -10 0 0.30 0.30 -9 -10 0 0.30 0.50 9 10 0 0.00 0.30 9 10 0 0.30 0.20 9 10 0 0.10 0.20 9 10 0 0.30 0.30 9 10 0 0.40 0.50 9 10 0 0.30 0.20 9 10 0 0.50 0.20 9 10 0 -0.10 0.20 -10 -10 0 27.30 1.70 10 10 0 27.60 1.70 10 10 0 28.90 1.70 10 10 0 29.30 1.70 10 10 0 27.50 1.70 10 10 0 27.40 1.70 10 10 0 29.00 1.70 10 10 0 26.90 1.70 10 10 0 25.60 1.90 -11 -10 0 16.90 1.20 11 10 0 18.10 1.20 11 10 0 19.60 1.20 11 10 0 18.50 1.20 11 10 0 18.80 1.50 11 10 0 18.90 1.20 11 10 0 20.80 1.20 11 10 0 20.50 1.20 11 10 0 20.10 1.20 -12 -10 0 2.00 0.30 12 10 0 1.80 0.20 12 10 0 2.40 0.30 12 10 0 2.40 0.30 12 10 0 1.40 0.30 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45.80 3.10 3 -11 0 73.79 4.40 -3 11 0 77.29 4.80 -3 11 0 74.49 4.70 2 -11 0 896.01 51.49 -2 11 0 973.80 51.79 -2 11 0 877.71 51.79 1 -11 0 163.88 10.50 -1 11 0 205.78 11.00 -1 11 0 156.98 10.80 -1 11 0 193.58 10.70 -1 11 0 193.88 10.40 0 -11 0 27.70 1.90 0 11 0 28.60 1.80 0 11 0 30.90 2.40 0 11 0 23.70 2.20 0 11 0 30.70 2.10 -1 -11 0 22.90 1.70 1 11 0 27.50 1.60 1 11 0 20.00 2.00 1 11 0 26.80 2.30 -2 -11 0 0.20 0.30 2 11 0 0.20 0.60 2 11 0 1.00 0.80 2 11 0 0.60 0.30 -3 -11 0 8.10 0.90 3 11 0 8.80 0.80 3 11 0 7.10 1.30 3 11 0 8.50 1.60 -4 -11 0 126.49 7.20 4 11 0 115.19 7.40 4 11 0 114.39 8.00 4 11 0 126.19 7.00 -5 -11 0 46.50 3.10 5 11 0 41.10 3.80 5 11 0 51.69 2.70 5 11 0 46.70 2.90 5 11 0 40.90 2.70 5 11 0 47.10 3.30 -6 -11 0 68.29 4.40 6 11 0 67.99 4.00 6 11 0 69.89 4.00 6 11 0 70.19 4.20 6 11 0 67.19 3.90 6 11 0 66.29 3.90 6 11 0 70.19 4.00 6 11 0 69.19 3.90 6 11 0 67.29 3.90 -7 -11 0 2.10 0.70 7 11 0 2.90 0.60 7 11 0 1.60 0.30 7 11 0 1.70 0.30 7 11 0 2.40 0.30 7 11 0 2.20 0.30 7 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0 1.40 0.30 -14 12 0 1.90 0.20 13 -12 0 0.10 0.30 13 -12 0 -0.30 0.50 -13 12 0 0.10 0.20 -13 12 0 0.30 0.30 12 -12 0 8.70 1.00 12 -12 0 9.00 1.20 -12 12 0 7.40 0.60 -12 12 0 8.20 0.80 -12 12 0 8.30 1.00 11 -12 0 0.50 0.50 11 -12 0 0.20 0.70 -11 12 0 0.40 0.50 -11 12 0 0.10 0.30 -11 12 0 0.10 0.30 10 -12 0 0.60 0.70 10 -12 0 0.20 0.50 10 -12 0 0.90 0.20 -10 12 0 0.30 0.50 -10 12 0 0.80 0.30 -10 12 0 1.20 0.40 9 -12 0 232.48 13.50 9 -12 0 240.88 13.10 9 -12 0 209.68 13.30 -9 12 0 230.48 13.10 -9 12 0 232.98 13.10 -9 12 0 241.28 13.40 8 -12 0 394.96 23.50 8 -12 0 439.46 23.10 8 -12 0 347.67 23.30 -8 12 0 418.86 23.20 -8 12 0 456.15 23.40 -8 12 0 405.16 23.10 7 -12 0 443.56 27.70 7 -12 0 525.75 27.40 -7 12 0 492.85 27.50 -7 12 0 488.25 27.50 -6 12 0 99.09 6.80 -6 12 0 125.79 6.50 -5 12 0 24.90 2.00 -4 12 0 0.10 0.50 -4 12 0 -0.10 0.50 -3 12 0 0.80 0.60 -3 12 0 1.90 0.70 2 -12 0 197.68 11.70 -2 12 0 217.58 12.00 -2 12 0 196.88 12.00 1 -12 0 107.99 6.60 -1 12 0 122.79 7.20 -1 12 0 116.29 6.80 -1 12 0 104.79 7.00 0 -12 0 15.10 1.30 0 12 0 20.30 1.50 0 12 0 18.00 1.80 0 12 0 16.00 1.70 -1 -12 0 4.90 0.60 1 12 0 4.20 1.00 1 12 0 4.70 1.00 1 12 0 4.40 0.50 -2 -12 0 0.90 0.40 2 12 0 1.20 0.80 2 12 0 0.60 0.70 2 12 0 0.50 0.30 -3 -12 0 70.49 4.30 3 12 0 66.89 4.70 3 12 0 67.79 5.10 3 12 0 73.49 4.20 -4 -12 0 72.19 4.40 4 12 0 69.79 4.00 4 12 0 69.39 4.10 4 12 0 74.79 4.20 4 12 0 68.49 4.10 4 12 0 69.99 4.00 4 12 0 68.69 4.70 4 12 0 65.79 5.20 -5 -12 0 5.30 0.90 -5 -12 0 5.60 0.70 5 12 0 5.30 0.50 5 12 0 4.30 0.50 5 12 0 4.70 0.50 5 12 0 5.30 0.50 5 12 0 5.30 1.10 5 12 0 5.30 0.50 5 12 0 5.30 0.50 5 12 0 6.30 0.70 5 12 0 3.70 0.40 -6 -12 0 -0.50 0.50 6 12 0 -0.60 0.30 6 12 0 -0.20 0.20 6 12 0 -0.30 0.20 6 12 0 0.00 0.20 6 12 0 0.00 0.40 6 12 0 -0.40 0.20 6 12 0 0.00 0.20 6 12 0 -0.60 0.20 -7 -12 0 9.70 1.30 7 12 0 10.70 0.80 7 12 0 11.40 0.80 7 12 0 10.70 0.80 7 12 0 11.40 0.80 7 12 0 11.40 0.90 7 12 0 11.50 0.80 7 12 0 12.20 1.10 7 12 0 11.00 0.90 7 12 0 11.60 0.80 -8 -12 0 13.90 1.40 8 12 0 14.70 1.00 8 12 0 14.40 1.00 8 12 0 15.60 1.00 8 12 0 15.90 1.00 8 12 0 16.00 1.00 8 12 0 16.00 1.10 8 12 0 16.10 1.30 8 12 0 15.80 1.00 8 12 0 13.70 1.00 -9 -12 0 12.40 0.90 9 12 0 13.80 0.90 9 12 0 14.80 1.20 9 12 0 13.70 0.90 9 12 0 13.20 0.90 9 12 0 12.60 0.90 9 12 0 13.80 0.90 9 12 0 13.00 1.00 9 12 0 13.00 0.90 9 12 0 13.80 0.90 -10 -12 0 6.40 0.50 10 12 0 5.80 0.50 10 12 0 5.70 0.60 10 12 0 6.70 0.60 10 12 0 5.60 0.50 10 12 0 7.00 0.60 10 12 0 6.90 0.80 10 12 0 6.10 0.50 10 12 0 6.90 0.60 -11 -12 0 1.60 0.20 11 12 0 1.70 0.30 11 12 0 2.10 0.20 11 12 0 1.80 0.20 11 12 0 2.70 0.30 11 12 0 2.00 0.30 11 12 0 1.50 0.30 -12 -12 0 0.30 0.20 12 12 0 0.10 0.20 12 12 0 0.00 0.20 12 12 0 0.00 0.20 12 12 0 -0.20 0.20 14 -13 0 2.30 0.50 -14 13 0 2.40 0.30 13 -13 0 0.70 0.30 13 -13 0 0.80 0.50 -13 13 0 0.50 0.30 -13 13 0 0.50 0.20 12 -13 0 2.90 0.70 12 -13 0 4.00 0.60 -12 13 0 2.90 0.30 -12 13 0 2.50 0.40 11 -13 0 1.20 0.70 11 -13 0 0.70 0.50 -11 13 0 0.70 0.30 -11 13 0 0.50 0.50 -11 13 0 0.60 0.30 10 -13 0 50.09 3.20 10 -13 0 50.29 3.30 -10 13 0 48.30 2.90 -10 13 0 48.30 3.20 -10 13 0 49.00 2.90 9 -13 0 31.70 2.30 9 -13 0 35.60 2.50 -9 13 0 35.10 2.10 -9 13 0 34.70 2.10 8 -13 0 0.60 0.60 8 -13 0 0.00 0.40 8 -13 0 0.90 0.60 -8 13 0 0.30 0.30 -8 13 0 0.40 0.30 7 -13 0 38.20 2.80 7 -13 0 42.70 2.90 -7 13 0 47.00 2.70 -7 13 0 50.79 2.70 6 -13 0 42.10 3.20 -6 13 0 51.79 2.90 -6 13 0 51.49 3.00 -6 13 0 55.29 3.00 5 -13 0 45.50 3.40 -5 13 0 54.09 3.10 -5 13 0 57.49 3.20 -5 13 0 57.29 3.20 4 -13 0 5.00 1.10 -4 13 0 8.50 1.20 -4 13 0 9.30 1.20 -3 13 0 36.80 2.80 -3 13 0 39.10 2.70 2 -13 0 272.67 16.10 -2 13 0 293.47 16.40 -2 13 0 279.67 16.50 1 -13 0 13.10 1.10 -1 13 0 13.00 1.60 -1 13 0 14.50 1.40 0 -13 0 191.48 11.20 0 13 0 192.08 11.60 0 13 0 199.18 11.80 -1 -13 0 16.90 1.40 1 13 0 16.90 1.90 1 13 0 18.20 2.00 -2 -13 0 43.20 2.70 2 13 0 36.20 2.50 2 13 0 40.70 2.50 2 13 0 38.10 2.40 2 13 0 40.30 3.20 2 13 0 42.50 3.50 2 13 0 46.70 2.40 -3 -13 0 82.59 5.10 3 13 0 85.99 5.60 3 13 0 77.99 4.90 3 13 0 87.89 4.80 3 13 0 87.99 4.80 3 13 0 81.19 4.80 3 13 0 77.59 4.80 3 13 0 74.09 4.80 3 13 0 93.59 5.00 3 13 0 86.19 4.80 -4 -13 0 362.86 21.10 4 13 0 364.46 20.90 4 13 0 408.06 21.60 4 13 0 381.96 20.80 4 13 0 340.37 20.80 4 13 0 352.26 20.80 4 13 0 370.36 20.80 4 13 0 362.76 20.80 4 13 0 380.06 20.80 -5 -13 0 450.05 28.70 -5 -13 0 467.55 29.00 5 13 0 499.85 28.60 5 13 0 499.05 28.60 5 13 0 504.15 28.60 5 13 0 505.25 28.60 5 13 0 521.35 28.60 5 13 0 559.84 28.80 5 13 0 572.24 29.30 5 13 0 510.45 28.60 -6 -13 0 73.39 5.10 6 13 0 83.19 4.80 6 13 0 82.49 4.80 6 13 0 82.19 4.80 6 13 0 88.79 5.00 6 13 0 83.99 4.80 6 13 0 83.79 4.80 6 13 0 84.19 4.80 6 13 0 83.99 4.80 6 13 0 85.19 4.80 -7 -13 0 1.50 0.60 7 13 0 1.80 0.30 7 13 0 1.30 0.30 7 13 0 1.60 0.30 7 13 0 1.20 0.30 7 13 0 2.00 0.30 7 13 0 2.60 0.60 7 13 0 1.20 0.30 7 13 0 1.50 0.40 7 13 0 1.40 0.30 8 13 0 19.90 1.30 8 13 0 20.20 1.30 8 13 0 20.60 1.30 8 13 0 20.00 1.30 8 13 0 19.20 1.50 8 13 0 20.30 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189.08 10.70 11 -10 4 200.28 11.00 11 -10 4 189.98 10.70 -12 10 -4 21.60 1.50 -12 10 -4 22.10 1.50 -12 10 -4 21.20 1.90 12 -10 4 22.70 1.60 12 -10 4 23.50 1.90 12 -10 4 23.80 1.50 -13 10 -4 11.40 0.90 -13 10 -4 10.80 0.90 -13 10 -4 10.20 1.20 13 -10 4 13.70 1.30 13 -10 4 11.80 1.00 13 -10 4 12.20 1.00 13 -10 4 13.00 0.90 -14 10 -4 2.40 0.30 -14 10 -4 2.20 0.30 14 -10 4 2.20 0.40 14 -10 4 2.30 0.60 14 -10 4 2.50 0.30 -15 10 -4 2.60 0.30 -15 10 -4 2.80 0.30 15 -10 4 3.70 0.50 15 -10 4 3.40 0.40 12 9 -4 0.20 0.10 12 9 -4 0.40 0.20 -12 -9 4 0.30 0.20 11 9 -4 6.40 0.50 11 9 -4 5.90 0.50 11 9 -4 6.50 0.50 11 9 -4 6.10 0.50 -11 -9 4 6.60 0.50 -11 -9 4 5.10 0.50 10 9 -4 0.50 0.20 10 9 -4 0.00 0.20 10 9 -4 0.30 0.20 10 9 -4 -0.10 0.20 -10 -9 4 0.20 0.20 -10 -9 4 0.60 0.20 9 9 -4 35.30 2.10 9 9 -4 36.40 2.10 9 9 -4 32.10 2.10 9 9 -4 34.50 2.10 9 9 -4 34.40 2.10 -9 -9 4 35.70 2.10 8 9 -4 17.40 1.20 8 9 -4 17.90 1.20 8 9 -4 17.40 1.10 8 9 -4 17.90 1.10 -8 -9 4 18.90 1.10 -8 -9 4 14.30 1.50 7 9 -4 7.20 0.60 7 9 -4 6.30 0.60 7 9 -4 7.90 0.70 7 9 -4 7.50 0.60 -7 -9 4 8.00 0.60 -7 -9 4 6.10 1.00 6 9 -4 16.40 1.10 6 9 -4 16.20 1.10 6 9 -4 14.90 1.10 6 9 -4 17.20 1.00 6 9 -4 13.60 1.00 -6 -9 4 16.30 1.00 -6 -9 4 15.30 1.50 5 9 -4 38.70 2.10 5 9 -4 30.50 2.10 5 9 -4 32.90 2.10 5 9 -4 33.30 2.10 5 9 -4 37.20 2.10 -5 -9 4 36.80 2.50 4 9 -4 8.10 1.80 4 9 -4 7.30 1.30 -4 -9 4 10.80 1.10 3 9 -4 29.90 2.80 3 9 -4 20.90 2.20 2 9 -4 28.20 2.90 -2 -9 4 35.90 2.20 1 9 -4 31.40 2.90 -1 -9 4 38.60 2.30 0 9 -4 13.40 1.60 0 -9 4 15.50 1.20 -1 9 -4 0.60 0.50 -1 9 -4 0.20 0.50 -1 9 -4 0.30 0.50 1 -9 4 0.50 0.30 -2 9 -4 77.29 4.90 -2 9 -4 76.19 4.80 -3 9 -4 30.80 2.40 -3 9 -4 35.30 2.50 -4 9 -4 8.70 1.10 -4 9 -4 7.30 1.10 -5 9 -4 40.80 2.70 -5 9 -4 32.90 2.70 -6 9 -4 0.70 0.60 -6 9 -4 0.80 0.50 6 -9 4 0.80 0.30 -7 9 -4 20.10 1.60 -7 9 -4 16.60 1.70 -8 9 -4 36.00 2.90 -8 9 -4 45.20 2.60 8 -9 4 44.40 2.70 8 -9 4 46.30 2.60 8 -9 4 40.40 2.80 -9 9 -4 1.50 0.70 -9 9 -4 1.40 0.30 -9 9 -4 1.90 0.30 9 -9 4 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0.40 0 -5 14 1.50 0.30 0 -5 14 1.20 0.40 -1 5 -14 44.40 2.60 1 -5 14 44.20 2.60 1 -5 14 43.90 2.60 1 -5 14 42.80 2.60 1 -5 14 40.80 2.90 -2 5 -14 0.00 0.30 -2 5 -14 -0.70 0.80 2 -5 14 0.80 0.30 2 -5 14 0.40 0.40 2 -5 14 -0.20 0.20 2 -5 14 -0.10 0.30 2 -5 14 0.10 0.30 3 -5 14 33.20 1.90 3 -5 14 30.20 1.90 3 -5 14 29.70 1.90 3 -5 14 30.20 1.90 3 -5 14 31.30 2.20 3 -5 14 27.90 2.10 3 -5 14 30.00 1.90 -4 5 -14 31.00 2.00 4 -5 14 33.70 2.10 4 -5 14 36.60 2.10 4 -5 14 34.10 2.10 4 -5 14 32.90 2.10 4 -5 14 34.30 2.10 4 -5 14 34.10 2.10 4 -5 14 32.10 2.30 -5 5 -14 8.90 0.80 5 -5 14 11.60 1.10 5 -5 14 11.40 0.90 5 -5 14 11.20 0.80 5 -5 14 10.30 0.90 5 -5 14 10.70 0.90 5 -5 14 10.90 1.20 5 -5 14 8.70 1.10 5 -5 14 11.40 0.90 5 -5 14 11.30 0.80 5 -5 14 9.90 0.90 -6 5 -14 0.20 0.30 -6 5 -14 -0.30 0.60 6 -5 14 0.40 0.30 6 -5 14 0.10 0.50 6 -5 14 0.20 0.30 6 -5 14 0.00 0.30 6 -5 14 0.30 0.30 6 -5 14 0.20 0.30 6 -5 14 0.20 0.50 6 -5 14 0.10 0.30 6 -5 14 0.70 0.30 6 -5 14 -0.10 0.40 7 -5 14 26.90 1.80 7 -5 14 27.10 1.70 7 -5 14 25.50 2.00 7 -5 14 27.40 2.00 7 -5 14 27.80 1.80 7 -5 14 27.20 1.70 7 -5 14 26.60 1.80 7 -5 14 26.90 1.90 8 -5 14 0.30 0.30 8 -5 14 -0.30 0.30 8 -5 14 0.40 0.30 8 -5 14 0.30 0.30 8 -5 14 0.50 0.30 8 -5 14 -0.20 0.50 8 -5 14 0.00 0.50 8 -5 14 0.30 0.40 8 -5 14 0.30 0.40 9 -5 14 1.20 0.60 9 -5 14 1.10 0.40 9 -5 14 1.30 0.40 9 -5 14 2.10 0.50 9 -5 14 1.10 0.40 9 -5 14 0.40 0.40 9 -5 14 0.80 0.50 9 -5 14 1.70 0.40 9 -5 14 0.70 0.60 10 -5 14 51.79 3.90 10 -5 14 63.19 3.80 10 -5 14 60.19 3.70 10 -5 14 59.49 3.60 10 -5 14 63.69 3.90 10 -5 14 62.79 3.70 10 -5 14 61.19 3.60 10 -5 14 64.99 3.70 10 -5 14 64.29 3.60 -11 5 -14 0.30 0.70 11 -5 14 0.00 0.40 11 -5 14 0.10 0.30 11 -5 14 0.30 0.40 11 -5 14 0.70 0.50 11 -5 14 -0.10 0.30 11 -5 14 0.20 0.50 11 -5 14 -0.50 0.30 -12 5 -14 2.40 0.90 12 -5 14 3.10 0.50 12 -5 14 3.30 0.50 12 -5 14 2.70 0.40 12 -5 14 3.10 0.50 12 -5 14 3.00 0.40 12 -5 14 4.20 0.70 12 -5 14 3.30 0.50 -13 5 -14 0.30 0.20 13 -5 14 0.40 0.30 13 -5 14 0.40 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14 15.70 1.20 6 -4 14 15.30 1.30 6 -4 14 15.90 1.40 6 -4 14 15.00 1.20 6 -4 14 15.50 1.10 6 -4 14 15.60 1.20 6 -4 14 13.80 1.40 7 -4 14 8.90 0.90 7 -4 14 9.40 0.80 7 -4 14 10.10 0.90 7 -4 14 9.60 1.10 7 -4 14 10.10 1.10 7 -4 14 9.50 0.80 7 -4 14 11.40 0.90 7 -4 14 9.30 0.90 7 -4 14 9.00 0.80 8 -4 14 152.88 8.50 8 -4 14 157.58 8.70 8 -4 14 142.69 8.50 8 -4 14 147.99 8.50 8 -4 14 138.29 8.70 8 -4 14 144.79 8.40 8 -4 14 145.49 8.60 8 -4 14 140.99 8.40 8 -4 14 153.58 8.40 9 -4 14 17.40 1.40 9 -4 14 18.40 1.40 9 -4 14 16.30 1.60 9 -4 14 19.10 1.40 9 -4 14 19.70 1.50 9 -4 14 18.70 1.30 9 -4 14 20.30 1.60 9 -4 14 18.50 1.30 9 -4 14 18.80 1.30 10 -4 14 13.90 1.00 10 -4 14 12.00 1.40 10 -4 14 16.20 1.40 10 -4 14 14.80 1.10 10 -4 14 15.10 1.30 10 -4 14 13.70 1.20 10 -4 14 13.40 1.10 10 -4 14 13.60 1.10 11 -4 14 17.20 1.50 11 -4 14 15.40 1.20 11 -4 14 17.10 1.50 11 -4 14 16.60 1.20 11 -4 14 16.60 1.30 11 -4 14 16.80 1.20 11 -4 14 16.70 1.30 -12 4 -14 1.10 0.70 12 -4 14 1.80 0.40 12 -4 14 1.80 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25 17.70 1.10 7 7 25 -0.10 0.20 7 7 25 -0.20 0.20 7 7 25 0.10 0.30 7 7 25 0.20 0.30 7 7 25 0.00 0.20 8 7 25 1.50 0.30 8 7 25 0.90 0.30 8 7 25 0.80 0.20 8 7 25 1.20 0.30 9 7 25 0.30 0.20 9 7 25 0.20 0.20 9 7 25 0.10 0.20 9 7 25 0.20 0.20 0 -8 -25 0.20 0.50 0 8 25 0.80 0.30 0 8 25 1.10 0.20 0 8 25 0.40 0.30 -1 -8 -25 2.50 0.60 1 8 25 5.20 0.40 1 8 25 5.00 0.40 1 8 25 5.10 0.60 1 8 25 4.50 0.40 1 8 25 4.70 0.50 1 8 25 4.50 0.40 2 8 25 13.80 0.90 2 8 25 12.80 0.90 2 8 25 11.90 0.90 2 8 25 13.70 1.00 2 8 25 12.60 0.80 2 8 25 13.10 0.90 2 8 25 12.20 0.90 3 8 25 -0.10 0.20 3 8 25 0.00 0.30 3 8 25 0.30 0.30 3 8 25 0.20 0.20 3 8 25 0.00 0.30 3 8 25 0.20 0.30 4 8 25 37.00 2.30 4 8 25 37.00 2.20 4 8 25 37.40 2.20 4 8 25 36.70 2.20 4 8 25 34.30 2.20 5 8 25 3.30 0.40 5 8 25 3.50 0.40 5 8 25 3.10 0.40 5 8 25 3.80 0.50 5 8 25 2.60 0.40 6 8 25 1.10 0.30 6 8 25 1.00 0.30 6 8 25 1.80 0.30 6 8 25 1.70 0.40 6 8 25 1.90 0.30 7 8 25 0.30 0.30 7 8 25 -0.30 0.20 7 8 25 -0.20 0.20 7 8 25 0.20 0.20 7 8 25 -0.10 0.30 8 8 25 15.80 1.00 8 8 25 14.30 1.00 8 8 25 15.30 1.10 8 8 25 15.30 1.00 9 8 25 8.80 0.70 9 8 25 8.10 0.70 9 8 25 8.20 0.60 0 9 25 3.70 0.50 0 9 25 3.80 0.50 0 9 25 3.80 0.40 0 9 25 3.70 0.40 -1 -9 -25 -0.30 0.50 1 9 25 -0.10 0.20 1 9 25 0.00 0.20 1 9 25 0.10 0.20 1 9 25 -0.10 0.30 1 9 25 0.20 0.20 1 9 25 -0.20 0.20 2 9 25 15.90 1.10 2 9 25 16.60 1.10 2 9 25 15.50 1.00 2 9 25 16.10 1.10 2 9 25 15.00 1.00 2 9 25 15.80 1.00 3 9 25 8.10 0.60 3 9 25 8.70 0.70 3 9 25 7.40 0.70 3 9 25 6.80 0.70 3 9 25 7.70 0.80 4 9 25 7.60 0.80 4 9 25 6.50 0.70 4 9 25 8.90 0.70 4 9 25 8.20 0.70 4 9 25 7.80 0.70 5 9 25 1.80 0.40 5 9 25 2.40 0.40 5 9 25 1.70 0.30 5 9 25 1.40 0.30 5 9 25 1.80 0.30 6 9 25 -0.40 0.20 6 9 25 0.00 0.30 6 9 25 0.20 0.30 6 9 25 0.00 0.30 6 9 25 0.10 0.30 7 9 25 9.40 0.90 7 9 25 11.00 0.80 7 9 25 10.40 0.80 7 9 25 11.00 0.80 8 9 25 9.60 0.70 8 9 25 8.70 0.70 8 9 25 8.60 0.70 9 9 25 0.00 0.30 9 9 25 0.10 0.20 0 10 25 0.30 0.20 0 10 25 0.20 0.30 0 10 25 0.00 0.20 0 10 25 0.10 0.30 -1 -10 -25 1.60 0.60 1 10 25 3.50 0.40 1 10 25 3.20 0.30 1 10 25 3.30 0.40 1 10 25 3.80 0.40 1 10 25 2.70 0.30 1 10 25 3.10 0.30 -2 -10 -25 0.60 0.50 2 10 25 2.30 0.30 2 10 25 1.60 0.40 2 10 25 1.70 0.30 2 10 25 1.60 0.30 2 10 25 1.60 0.20 2 10 25 1.70 0.30 -3 -10 -25 -0.30 0.50 3 10 25 0.60 0.30 3 10 25 0.60 0.30 3 10 25 0.50 0.30 4 10 25 10.70 0.80 4 10 25 11.30 0.80 4 10 25 11.20 0.80 4 10 25 10.30 0.90 5 10 25 5.30 0.60 5 10 25 4.80 0.60 5 10 25 5.90 0.60 5 10 25 5.50 0.60 6 10 25 0.50 0.30 6 10 25 0.70 0.30 6 10 25 0.20 0.30 6 10 25 0.30 0.30 7 10 25 9.80 0.80 7 10 25 10.50 0.80 7 10 25 10.50 0.80 7 10 25 10.90 0.80 8 10 25 2.30 0.40 8 10 25 3.10 0.30 8 10 25 2.90 0.40 0 -11 -25 0.10 0.40 0 11 25 0.10 0.20 0 11 25 0.00 0.20 0 11 25 0.20 0.20 1 11 25 4.10 0.40 1 11 25 4.10 0.40 1 11 25 2.80 0.40 1 11 25 4.00 0.40 1 11 25 3.10 0.40 1 11 25 3.00 0.30 2 11 25 0.00 0.20 2 11 25 0.00 0.30 2 11 25 0.10 0.20 2 11 25 -0.20 0.20 2 11 25 0.00 0.20 2 11 25 0.00 0.20 3 11 25 2.40 0.30 3 11 25 2.80 0.40 3 11 25 2.50 0.40 3 11 25 2.30 0.40 3 11 25 2.10 0.30 4 11 25 3.90 0.50 4 11 25 4.20 0.50 4 11 25 3.70 0.40 4 11 25 4.20 0.50 5 11 25 0.20 0.30 5 11 25 0.50 0.30 5 11 25 0.30 0.30 5 11 25 0.60 0.30 6 11 25 1.20 0.30 6 11 25 1.20 0.30 6 11 25 1.50 0.30 6 11 25 1.40 0.30 7 11 25 5.70 0.50 7 11 25 5.30 0.60 7 11 25 6.60 0.60 7 11 25 4.90 0.60 8 11 25 16.50 1.10 8 11 25 17.40 1.10 0 12 25 4.40 0.40 0 12 25 4.80 0.60 1 12 25 0.40 0.20 1 12 25 0.10 0.20 1 12 25 -0.10 0.20 1 12 25 0.00 0.20 1 12 25 0.20 0.20 1 12 25 0.20 0.20 2 12 25 0.40 0.20 2 12 25 0.40 0.20 2 12 25 0.50 0.30 2 12 25 0.40 0.20 2 12 25 0.20 0.30 2 12 25 0.40 0.30 3 12 25 3.40 0.30 3 12 25 3.10 0.40 3 12 25 3.20 0.40 3 12 25 2.80 0.40 3 12 25 3.30 0.40 4 12 25 2.70 0.40 4 12 25 2.00 0.40 4 12 25 2.20 0.40 4 12 25 2.30 0.40 5 12 25 0.00 0.30 5 12 25 0.20 0.30 5 12 25 0.20 0.30 5 12 25 -0.10 0.30 6 12 25 0.20 0.20 6 12 25 0.30 0.30 6 12 25 0.00 0.30 6 12 25 0.20 0.20 7 12 25 0.20 0.30 7 12 25 0.10 0.20 7 12 25 0.30 0.20 1 13 25 6.50 0.60 1 13 25 5.80 0.60 1 13 25 7.70 0.60 1 13 25 6.70 0.60 1 13 25 6.80 0.60 2 13 25 3.80 0.40 2 13 25 4.90 0.50 2 13 25 3.90 0.50 2 13 25 4.50 0.40 2 13 25 3.00 0.40 3 13 25 3.40 0.40 3 13 25 2.90 0.30 3 13 25 2.50 0.40 3 13 25 2.70 0.40 3 13 25 3.20 0.40 4 13 25 7.10 0.60 4 13 25 7.30 0.60 4 13 25 7.50 0.60 4 13 25 6.70 0.60 4 13 25 6.50 0.70 5 13 25 1.40 0.40 5 13 25 1.70 0.30 5 13 25 2.30 0.30 5 13 25 2.00 0.30 6 13 25 28.70 1.80 6 13 25 31.00 1.80 6 13 25 29.50 1.80 7 13 25 0.60 0.30 2 14 25 2.80 0.30 2 14 25 2.70 0.30 2 14 25 3.30 0.40 3 14 25 3.10 0.40 3 14 25 3.40 0.40 3 14 25 3.70 0.40 3 14 25 4.40 0.50 4 14 25 1.90 0.30 4 14 25 2.20 0.30 4 14 25 1.50 0.30 5 14 25 9.20 0.70 5 14 25 8.20 0.70 5 14 25 10.20 0.70 6 14 25 0.90 0.30 3 15 25 5.90 0.50 3 15 25 6.00 0.50 3 15 25 5.20 0.60 4 15 25 1.00 0.30 4 15 25 1.30 0.30 5 15 25 -0.40 0.30 5 5 26 0.10 0.20 5 5 26 0.00 0.30 5 5 26 0.20 0.20 6 5 26 8.80 0.70 6 5 26 8.70 0.70 6 5 26 8.00 0.60 6 5 26 7.80 0.70 7 5 26 2.90 0.40 7 5 26 2.60 0.50 3 6 26 0.00 0.30 4 6 26 6.60 0.50 4 6 26 7.60 0.60 4 6 26 6.90 0.60 4 6 26 7.60 0.60 4 6 26 8.10 0.70 5 6 26 2.00 0.30 5 6 26 2.40 0.30 5 6 26 2.10 0.30 5 6 26 2.40 0.30 5 6 26 2.00 0.30 6 6 26 2.40 0.40 6 6 26 2.80 0.30 6 6 26 2.70 0.30 6 6 26 2.50 0.30 7 6 26 2.80 0.40 7 6 26 2.70 0.40 7 6 26 2.60 0.30 7 6 26 2.80 0.30 -3 -7 -26 1.70 0.80 3 7 26 4.00 0.40 3 7 26 4.20 0.50 3 7 26 3.70 0.40 3 7 26 3.80 0.50 -4 -7 -26 -0.80 0.40 4 7 26 0.50 0.30 4 7 26 0.30 0.20 4 7 26 0.40 0.20 4 7 26 0.60 0.20 4 7 26 0.50 0.20 5 7 26 1.40 0.30 5 7 26 1.40 0.30 5 7 26 0.90 0.30 5 7 26 1.10 0.20 5 7 26 0.90 0.20 6 7 26 3.70 0.40 6 7 26 3.60 0.40 6 7 26 3.20 0.40 6 7 26 3.80 0.40 7 7 26 1.20 0.20 7 7 26 1.00 0.30 7 7 26 1.40 0.30 8 7 26 11.60 1.00 8 7 26 11.20 0.90 3 8 26 0.20 0.20 3 8 26 0.10 0.30 3 8 26 0.20 0.20 3 8 26 0.30 0.20 4 8 26 46.50 2.70 4 8 26 48.40 2.70 4 8 26 47.80 2.70 4 8 26 49.30 2.80 4 8 26 41.30 2.70 5 8 26 26.20 1.60 5 8 26 21.00 1.60 5 8 26 27.40 1.60 5 8 26 25.80 1.50 5 8 26 27.50 1.60 6 8 26 3.00 0.40 6 8 26 3.90 0.40 6 8 26 4.00 0.50 6 8 26 3.90 0.50 7 8 26 22.20 1.40 7 8 26 23.60 1.40 7 8 26 23.00 1.50 2 9 26 0.00 0.50 2 9 26 0.10 0.20 3 9 26 0.50 0.20 3 9 26 0.40 0.20 3 9 26 0.50 0.30 3 9 26 0.60 0.20 4 9 26 0.50 0.20 4 9 26 1.00 0.20 4 9 26 0.80 0.30 4 9 26 0.50 0.30 5 9 26 7.20 0.70 5 9 26 7.00 0.60 5 9 26 7.30 0.60 5 9 26 7.20 0.60 6 9 26 34.20 2.00 6 9 26 32.20 2.00 6 9 26 35.00 2.00 6 9 26 33.00 2.10 7 9 26 1.00 0.30 7 9 26 1.20 0.20 7 9 26 1.10 0.30 3 10 26 8.20 0.60 3 10 26 8.30 0.70 3 10 26 7.70 0.60 3 10 26 7.80 0.60 4 10 26 37.00 2.30 4 10 26 38.10 2.20 4 10 26 36.60 2.20 4 10 26 37.70 2.20 5 10 26 2.60 0.30 5 10 26 2.30 0.30 5 10 26 2.20 0.40 5 10 26 2.60 0.30 6 10 26 1.20 0.30 6 10 26 0.90 0.30 6 10 26 1.10 0.30 7 10 26 21.60 1.40 7 10 26 21.10 1.30 3 11 26 10.10 0.70 3 11 26 9.90 0.80 3 11 26 10.40 0.70 3 11 26 10.20 0.70 4 11 26 40.30 2.30 4 11 26 36.80 2.30 4 11 26 40.50 2.30 4 11 26 40.10 2.30 5 11 26 32.30 1.90 5 11 26 33.40 1.90 5 11 26 33.50 1.90 5 11 26 29.30 2.00 6 11 26 0.90 0.20 6 11 26 1.10 0.30 3 12 26 0.20 0.30 3 12 26 0.70 0.40 4 12 26 6.60 0.50 4 12 26 6.00 0.50 4 12 26 6.80 0.60 5 12 26 3.30 0.30 5 12 26 2.70 0.40 5 12 26 2.70 0.30 6 12 26 23.20 1.50 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 28041 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N1 N 0.45674(18) 0.17485(12) 0.26788(11) 0.0236(5) Uani 1 1 d . . . . . N2 N 0.37975(18) 0.79842(12) 0.05719(12) 0.0239(5) Uani 1 1 d . . . . . N3 N 0.59218(18) 0.19300(12) 0.45404(12) 0.0233(5) Uani 1 1 d . . . . . N4 N 0.55555(18) 0.82472(12) 0.22569(11) 0.0230(5) Uani 1 1 d . . . . . N5 N 0.23615(18) 0.51992(14) 0.07380(12) 0.0287(5) Uani 1 1 d . . . . . N6 N 0.32679(16) 0.55947(12) 0.39614(12) 0.0207(4) Uani 1 1 d . . . . . C1 C 0.6206(2) 0.11938(14) -0.01426(15) 0.0279(6) Uani 1 1 d . . . . . H1A H 0.687933 0.105530 -0.026620 0.033 Uiso 1 1 calc R U . . . H1B H 0.578448 0.087510 -0.024690 0.033 Uiso 1 1 calc R U . . . C2 C 0.5833(2) 0.10502(13) 0.06321(14) 0.0217(5) Uani 1 1 d . . . . . C3 C 0.6483(2) 0.11208(14) 0.09744(15) 0.0245(5) Uani 1 1 d . . . . . H3 H 0.716741 0.120844 0.073215 0.029 Uiso 1 1 calc R U . . . C4 C 0.6140(2) 0.10641(14) 0.16655(15) 0.0244(5) Uani 1 1 d . . . . . H4 H 0.658985 0.111101 0.189532 0.029 Uiso 1 1 calc R U . . . C5 C 0.5138(2) 0.09386(13) 0.20257(13) 0.0214(5) Uani 1 1 d . . . . . C6 C 0.4490(2) 0.08269(13) 0.16963(14) 0.0219(5) Uani 1 1 d . . . . . H6 H 0.380926 0.071230 0.194823 0.026 Uiso 1 1 calc R U . . . C7 C 0.4829(2) 0.08811(14) 0.10019(14) 0.0231(5) Uani 1 1 d . . . . . H7 H 0.438248 0.080378 0.078126 0.028 Uiso 1 1 calc R U . . . C8 C 0.4760(2) 0.09563(14) 0.27525(14) 0.0270(6) Uani 1 1 d . . . . . H8A H 0.414901 0.060279 0.303392 0.032 Uiso 1 1 calc R U . . . H8B H 0.524978 0.079365 0.299895 0.032 Uiso 1 1 calc R U . . . C9 C 0.5312(2) 0.22624(16) 0.25396(16) 0.0283(6) Uani 1 1 d . . . . . H9 H 0.593504 0.210462 0.254594 0.034 Uiso 1 1 calc R U . . . C10 C 0.5181(2) 0.30117(16) 0.23887(16) 0.0285(6) Uani 1 1 d . . . . . H10 H 0.571180 0.336577 0.230017 0.034 Uiso 1 1 calc R U . . . C11 C 0.4276(2) 0.32630(14) 0.23629(13) 0.0206(5) Uani 1 1 d . . . . . C12 C 0.3509(2) 0.27088(15) 0.25418(14) 0.0245(5) Uani 1 1 d . . . . . H12 H 0.287191 0.284755 0.255693 0.029 Uiso 1 1 calc R U . . . C13 C 0.3673(2) 0.19588(15) 0.26971(14) 0.0263(6) Uani 1 1 d . . . . . H13 H 0.314540 0.158564 0.281866 0.032 Uiso 1 1 calc R U . . . C14 C 0.4151(2) 0.40789(14) 0.21259(13) 0.0195(5) Uani 1 1 d . . . . . C15 C 0.4952(2) 0.46086(14) 0.16443(13) 0.0215(5) Uani 1 1 d . . . . . H15 H 0.556814 0.443958 0.149508 0.026 Uiso 1 1 calc R U . . . C16 C 0.4860(2) 0.53768(14) 0.13808(13) 0.0221(5) Uani 1 1 d . . . . . H16 H 0.541429 0.573043 0.105545 0.027 Uiso 1 1 calc R U . . . C17 C 0.3961(2) 0.56343(14) 0.15900(12) 0.0193(5) Uani 1 1 d . . . . . C18 C 0.3158(2) 0.51063(15) 0.20861(13) 0.0232(5) Uani 1 1 d . . . . . H18 H 0.254412 0.527705 0.224029 0.028 Uiso 1 1 calc R U . . . C19 C 0.3252(2) 0.43355(15) 0.23538(13) 0.0233(5) Uani 1 1 d . . . . . H19 H 0.270549 0.398230 0.269218 0.028 Uiso 1 1 calc R U . . . C20 C 0.3876(2) 0.64523(14) 0.12672(12) 0.0213(5) Uani 1 1 d . . . . . C21 C 0.4688(2) 0.69951(15) 0.10360(14) 0.0241(5) Uani 1 1 d . . . . . H21 H 0.528039 0.683779 0.111804 0.029 Uiso 1 1 calc R U . . . C22 C 0.4629(2) 0.77498(15) 0.06929(14) 0.0259(6) Uani 1 1 d . . . . . H22 H 0.518249 0.811224 0.053856 0.031 Uiso 1 1 calc R U . . . C23 C 0.2992(2) 0.74813(15) 0.07993(15) 0.0276(6) Uani 1 1 d . . . . . H23 H 0.240601 0.765788 0.071821 0.033 Uiso 1 1 calc R U . . . C24 C 0.3014(2) 0.67168(15) 0.11469(14) 0.0249(5) Uani 1 1 d . . . . . H24 H 0.244499 0.636823 0.130533 0.030 Uiso 1 1 calc R U . . . C25 C 0.4601(2) 0.09492(14) 0.78323(14) 0.0260(6) Uani 1 1 d . . . . . H25A H 0.398287 0.060865 0.812584 0.031 Uiso 1 1 calc R U . . . H25B H 0.509793 0.078120 0.807178 0.031 Uiso 1 1 calc R U . . . C26 C 0.4945(2) 0.09114(13) 0.71131(13) 0.0216(5) Uani 1 1 d . . . . . C27 C 0.5942(2) 0.10361(14) 0.67325(15) 0.0242(5) Uani 1 1 d . . . . . H27 H 0.641028 0.109954 0.694255 0.029 Uiso 1 1 calc R U . . . C28 C 0.6248(2) 0.10673(14) 0.60499(15) 0.0248(5) Uani 1 1 d . . . . . H28 H 0.692777 0.114982 0.579471 0.030 Uiso 1 1 calc R U . . . C29 C 0.5571(2) 0.09790(13) 0.57313(14) 0.0222(5) Uani 1 1 d . . . . . C30 C 0.4574(2) 0.08206(14) 0.61220(14) 0.0235(5) Uani 1 1 d . . . . . H30 H 0.410798 0.073641 0.591848 0.028 Uiso 1 1 calc R U . . . C31 C 0.4267(2) 0.07870(13) 0.68097(14) 0.0225(5) Uani 1 1 d . . . . . H31 H 0.359030 0.067837 0.707472 0.027 Uiso 1 1 calc R U . . . C32 C 0.5897(2) 0.11004(14) 0.49645(14) 0.0275(6) Uani 1 1 d . . . . . H32A H 0.655530 0.093960 0.482877 0.033 Uiso 1 1 calc R U . . . H32B H 0.543606 0.079575 0.487635 0.033 Uiso 1 1 calc R U . . . C33 C 0.6707(2) 0.24150(16) 0.43930(15) 0.0284(6) Uani 1 1 d . . . . . H33 H 0.726552 0.222125 0.451223 0.034 Uiso 1 1 calc R U . . . C34 C 0.6709(2) 0.31831(16) 0.40737(15) 0.0270(6) Uani 1 1 d . . . . . H34 H 0.726804 0.351691 0.397431 0.032 Uiso 1 1 calc R U . . . C35 C 0.5897(2) 0.34828(14) 0.38917(13) 0.0208(5) Uani 1 1 d . . . . . C36 C 0.5099(2) 0.29639(14) 0.40511(14) 0.0216(5) Uani 1 1 d . . . . . H36 H 0.453172 0.314187 0.393641 0.026 Uiso 1 1 calc R U . . . C37 C 0.5128(2) 0.21926(15) 0.43750(14) 0.0236(5) Uani 1 1 d . . . . . H37 H 0.458034 0.184450 0.448171 0.028 Uiso 1 1 calc R U . . . C38 C 0.58802(19) 0.43106(14) 0.35584(13) 0.0193(5) Uani 1 1 d . . . . . C39 C 0.6549(2) 0.48281(15) 0.35708(14) 0.0240(5) Uani 1 1 d . . . . . H39 H 0.702835 0.464672 0.379370 0.029 Uiso 1 1 calc R U . . . C40 C 0.6519(2) 0.56071(15) 0.32589(14) 0.0245(5) Uani 1 1 d . . . . . H40 H 0.697305 0.595194 0.327620 0.029 Uiso 1 1 calc R U . . . C41 C 0.5829(2) 0.58880(14) 0.29213(13) 0.0201(5) Uani 1 1 d . . . . . C42 C 0.5153(2) 0.53698(15) 0.29232(14) 0.0233(5) Uani 1 1 d . . . . . H42 H 0.466644 0.555110 0.270784 0.028 Uiso 1 1 calc R U . . . C43 C 0.5178(2) 0.45938(14) 0.32343(14) 0.0222(5) Uani 1 1 d . . . . . H43 H 0.471104 0.425044 0.322697 0.027 Uiso 1 1 calc R U . . . C44 C 0.5760(2) 0.67138(14) 0.26416(13) 0.0206(5) Uani 1 1 d . . . . . C45 C 0.6545(2) 0.72482(15) 0.24681(15) 0.0261(6) Uani 1 1 d . . . . . H45 H 0.716768 0.708870 0.247562 0.031 Uiso 1 1 calc R U . . . C46 C 0.6425(2) 0.80067(15) 0.22856(15) 0.0273(6) Uani 1 1 d . . . . . H46 H 0.696289 0.836441 0.217867 0.033 Uiso 1 1 calc R U . . . C47 C 0.4793(2) 0.77510(15) 0.23880(14) 0.0243(5) Uani 1 1 d . . . . . H47 H 0.418946 0.792993 0.234834 0.029 Uiso 1 1 calc R U . . . C48 C 0.4879(2) 0.69890(15) 0.25784(14) 0.0234(5) Uani 1 1 d . . . . . H48 H 0.433500 0.664566 0.266786 0.028 Uiso 1 1 calc R U . . . C49 C 0.5495(2) 0.43435(14) 0.01441(13) 0.0210(5) Uani 1 1 d . . . . . C50 C 0.5955(2) 0.36597(15) 0.03368(14) 0.0255(6) Uani 1 1 d . . . . . H50 H 0.664532 0.369448 0.023272 0.031 Uiso 1 1 calc R U . . . C51 C 0.5414(2) 0.29632(15) 0.06667(14) 0.0289(6) Uani 1 1 d . . . . . H51 H 0.573319 0.252029 0.079446 0.035 Uiso 1 1 calc R U . . . C52 C 0.4398(2) 0.28868(15) 0.08209(15) 0.0308(6) Uani 1 1 d . . . . . H52 H 0.403861 0.239527 0.102951 0.037 Uiso 1 1 calc R U . . . C53 C 0.3922(2) 0.35193(16) 0.06716(14) 0.0273(6) Uani 1 1 d . . . . . H53 H 0.322895 0.346142 0.079479 0.033 Uiso 1 1 calc R U . . . C54 C 0.4449(2) 0.42675(15) 0.03329(13) 0.0219(5) Uani 1 1 d . . . . . C55 C 0.3961(2) 0.49254(15) 0.02003(13) 0.0227(5) Uani 1 1 d . . . . . C56 C 0.2890(2) 0.48136(15) 0.04293(14) 0.0265(6) Uani 1 1 d . . . . . H56 H 0.257654 0.443854 0.034425 0.032 Uiso 1 1 calc R U . . . C57 C 0.1340(2) 0.49976(18) 0.09633(15) 0.0298(6) Uani 1 1 d . . . . . C58 C 0.0903(2) 0.42502(19) 0.13069(17) 0.0354(7) Uani 1 1 d . . . . . H58 H 0.129480 0.384679 0.140093 0.043 Uiso 1 1 calc R U . . . C59 C -0.0107(2) 0.4091(2) 0.15139(18) 0.0391(7) Uani 1 1 d . . . . . H59 H -0.039643 0.357658 0.175368 0.047 Uiso 1 1 calc R U . . . C60 C -0.0705(2) 0.4660(2) 0.13809(16) 0.0365(7) Uani 1 1 d . . . . . C61 C -0.0259(2) 0.5407(2) 0.10420(16) 0.0375(7) Uani 1 1 d . . . . . H61 H -0.065111 0.580904 0.094093 0.045 Uiso 1 1 calc R U . . . C62 C 0.0750(2) 0.55805(19) 0.08470(16) 0.0343(6) Uani 1 1 d . . . . . H62 H 0.103497 0.609590 0.063483 0.041 Uiso 1 1 calc R U . . . C63 C -0.1815(3) 0.4466(3) 0.15887(19) 0.0469(9) Uani 1 1 d . . . . . C64A C -0.2317(9) 0.5152(9) 0.1785(9) 0.076(5) Uani 0.55(2) 1 d . . P A 1 H64A H -0.221147 0.514322 0.221506 0.114 Uiso 0.55(2) 1 calc R U P A 1 H64B H -0.302082 0.508568 0.186098 0.114 Uiso 0.55(2) 1 calc R U P A 1 H64C H -0.202152 0.563992 0.139564 0.114 Uiso 0.55(2) 1 calc R U P A 1 C65A C -0.2127(14) 0.3795(13) 0.2223(14) 0.141(11) Uani 0.55(2) 1 d . . P A 1 H65A H -0.176402 0.380850 0.253714 0.211 Uiso 0.55(2) 1 calc R U P A 1 H65B H -0.200282 0.334554 0.210864 0.211 Uiso 0.55(2) 1 calc R U P A 1 H65C H -0.282887 0.377058 0.245940 0.211 Uiso 0.55(2) 1 calc R U P A 1 C66A C -0.1993(7) 0.4586(15) 0.0926(8) 0.092(6) Uani 0.55(2) 1 d . . P A 1 H66A H -0.269595 0.448629 0.101639 0.138 Uiso 0.55(2) 1 calc R U P A 1 H66B H -0.164514 0.423925 0.072452 0.138 Uiso 0.55(2) 1 calc R U P A 1 H66C H -0.175612 0.511250 0.059416 0.138 Uiso 0.55(2) 1 calc R U P A 1 C64B C -0.2391(10) 0.5121(9) 0.1503(8) 0.046(3) Uani 0.45(2) 1 d . . P A 2 H64D H -0.307888 0.493811 0.178583 0.069 Uiso 0.45(2) 1 calc R U P A 2 H64E H -0.233744 0.538182 0.100533 0.069 Uiso 0.45(2) 1 calc R U P A 2 H64F H -0.213706 0.547429 0.166263 0.069 Uiso 0.45(2) 1 calc R U P A 2 C65B C -0.2229(8) 0.3832(7) 0.2333(6) 0.028(2) Uani 0.45(2) 1 d . . P A 2 H65D H -0.194268 0.336522 0.233694 0.041 Uiso 0.45(2) 1 calc R U P A 2 H65E H -0.294159 0.373892 0.246142 0.041 Uiso 0.45(2) 1 calc R U P A 2 H65F H -0.206596 0.399099 0.267446 0.041 Uiso 0.45(2) 1 calc R U P A 2 C66B C -0.2066(5) 0.4047(7) 0.1118(4) 0.031(2) Uani 0.45(2) 1 d . . P A 2 H66D H -0.277624 0.397433 0.122308 0.047 Uiso 0.45(2) 1 calc R U P A 2 H66E H -0.181731 0.355158 0.123085 0.047 Uiso 0.45(2) 1 calc R U P A 2 H66F H -0.175579 0.436204 0.061625 0.047 Uiso 0.45(2) 1 calc R U P A 2 C67 C 0.56254(17) 0.56528(14) 0.48529(12) 0.0166(5) Uani 1 1 d . . . . . C68 C 0.62398(19) 0.63258(14) 0.46950(14) 0.0215(5) Uani 1 1 d . . . . . H68 H 0.682388 0.627908 0.481674 0.026 Uiso 1 1 calc R U . . . C69 C 0.6001(2) 0.70289(15) 0.43744(14) 0.0238(5) Uani 1 1 d . . . . . H69 H 0.642864 0.746686 0.426148 0.029 Uiso 1 1 calc R U . . . C70 C 0.5118(2) 0.71136(14) 0.42071(14) 0.0233(5) Uani 1 1 d . . . . . H70 H 0.495052 0.760800 0.399383 0.028 Uiso 1 1 calc R U . . . C71 C 0.45075(19) 0.64886(14) 0.43508(13) 0.0207(5) Uani 1 1 d . . . . . H71 H 0.391161 0.655532 0.424543 0.025 Uiso 1 1 calc R U . . . C72 C 0.47480(18) 0.57356(14) 0.46569(12) 0.0166(5) Uani 1 1 d . . . . . C73 C 0.41437(18) 0.50831(14) 0.47948(13) 0.0178(5) Uani 1 1 d . . . . . C74 C 0.32599(18) 0.51431(14) 0.45708(14) 0.0202(5) Uani 1 1 d . . . . . H74 H 0.266869 0.483404 0.489315 0.024 Uiso 1 1 calc R U . . . C75 C 0.24165(18) 0.55803(15) 0.37608(14) 0.0211(5) Uani 1 1 d . . . . . C76 C 0.2229(2) 0.62548(15) 0.32983(15) 0.0258(5) Uani 1 1 d . . . . . H76 H 0.265843 0.670673 0.313768 0.031 Uiso 1 1 calc R U . . . C77 C 0.1424(2) 0.62812(16) 0.30657(16) 0.0276(6) Uani 1 1 d . . . . . H77 H 0.130830 0.675071 0.275288 0.033 Uiso 1 1 calc R U . . . C78 C 0.0784(2) 0.56242(17) 0.32871(15) 0.0264(6) Uani 1 1 d . . . . . C79 C 0.0999(2) 0.49486(17) 0.37324(17) 0.0318(6) Uani 1 1 d . . . . . H79 H 0.058207 0.449263 0.388267 0.038 Uiso 1 1 calc R U . . . C80 C 0.1803(2) 0.49196(16) 0.39643(16) 0.0284(6) Uani 1 1 d . . . . . H80 H 0.193450 0.444720 0.426271 0.034 Uiso 1 1 calc R U . . . C81 C -0.0145(2) 0.5655(2) 0.30761(18) 0.0356(7) Uani 1 1 d . . . . . C82 C -0.0079(3) 0.6352(2) 0.2419(2) 0.0496(9) Uani 1 1 d . . . . . H82A H -0.067592 0.633689 0.229460 0.074 Uiso 1 1 calc R U . . . H82B H 0.048877 0.635816 0.202884 0.074 Uiso 1 1 calc R U . . . H82C H -0.000793 0.681141 0.251026 0.074 Uiso 1 1 calc R U . . . C83 C -0.0995(2) 0.5682(3) 0.3707(2) 0.0481(9) Uani 1 1 d . . . . . H83A H -0.160881 0.570352 0.359683 0.072 Uiso 1 1 calc R U . . . H83B H -0.086147 0.613367 0.379305 0.072 Uiso 1 1 calc R U . . . H83C H -0.105300 0.522469 0.412899 0.072 Uiso 1 1 calc R U . . . C84 C -0.0357(3) 0.4943(2) 0.2950(2) 0.0483(9) Uani 1 1 d . . . . . H84A H -0.094099 0.498113 0.280321 0.072 Uiso 1 1 calc R U . . . H84B H -0.046788 0.449222 0.338769 0.072 Uiso 1 1 calc R U . . . H84C H 0.020329 0.489873 0.258024 0.072 Uiso 1 1 calc R U . . . P1 P 0.19689(5) 0.25894(4) 0.45500(3) 0.02247(18) Uani 1 1 d . . . . . F1 F 0.10712(12) 0.19479(9) 0.50738(9) 0.0299(4) Uani 1 1 d . . . . . F2 F 0.12489(13) 0.30991(10) 0.41911(11) 0.0371(4) Uani 1 1 d . . . . . F3 F 0.17794(13) 0.29838(10) 0.51054(10) 0.0340(4) Uani 1 1 d . . . . . F4 F 0.28741(13) 0.32298(11) 0.40217(10) 0.0398(5) Uani 1 1 d . . . . . F5 F 0.26965(13) 0.20787(10) 0.49076(10) 0.0342(4) Uani 1 1 d . . . . . F6 F 0.21586(16) 0.21828(12) 0.40010(10) 0.0420(5) Uani 1 1 d . . . . . P2 P 0.20037(6) 0.87806(5) 0.20659(4) 0.0312(2) Uani 1 1 d . . . . . F7A F 0.1804(2) 0.8639(2) 0.14341(16) 0.0672(9) Uani 0.886(4) 1 d . . P B 1 F8A F 0.1068(2) 0.81602(19) 0.2577(2) 0.0702(10) Uani 0.886(4) 1 d . . P B 1 F9A F 0.1295(2) 0.94156(17) 0.1995(2) 0.0737(11) Uani 0.886(4) 1 d . . P B 1 F10A F 0.2234(5) 0.8985(7) 0.2638(5) 0.179(4) Uani 0.886(4) 1 d . . P B 1 F11A F 0.2907(2) 0.9364(2) 0.1532(3) 0.1012(15) Uani 0.886(4) 1 d . . P B 1 F12A F 0.2694(3) 0.8118(2) 0.2101(2) 0.0878(12) Uani 0.886(4) 1 d . . P B 1 F7B F 0.1038(19) 0.904(2) 0.2294(16) 0.0672(9) Uani 0.114(4) 1 d . . P B 2 F8B F 0.101(2) 0.8464(16) 0.2557(18) 0.0702(10) Uani 0.114(4) 1 d . . P B 2 F9B F 0.2019(17) 0.9315(12) 0.1328(16) 0.0737(11) Uani 0.114(4) 1 d . . P B 2 F10B F 0.2125(12) 0.8560(13) 0.2790(8) 0.029(5) Uani 0.114(4) 1 d . . P B 2 F11B F 0.3174(19) 0.8742(19) 0.170(2) 0.1012(15) Uani 0.114(4) 1 d . . P B 2 F12B F 0.2419(18) 0.8191(8) 0.2605(12) 0.042(5) Uani 0.114(4) 1 d . . P B 2 P3 P 0.77474(8) 0.73971(6) 0.03631(7) 0.0543(3) Uani 1 1 d . . . . . F13 F 0.6907(2) 0.67101(16) 0.0872(2) 0.1137(17) Uani 1 1 d . . . . . F14 F 0.7014(2) 0.78326(17) -0.0040(2) 0.0879(10) Uani 1 1 d . . . . . F15 F 0.7423(3) 0.78271(18) 0.08838(15) 0.0977(13) Uani 1 1 d . . . . . F16 F 0.85844(18) 0.80943(13) -0.01472(13) 0.0557(6) Uani 1 1 d . . . . . F17 F 0.8495(2) 0.69900(14) 0.07506(19) 0.0736(8) Uani 1 1 d . . . . . F18 F 0.8094(3) 0.6987(2) -0.0166(2) 0.0999(13) Uani 1 1 d . . . . . P4 P 0.20934(7) -0.11334(6) 0.69410(5) 0.0405(2) Uani 1 1 d . . . . . F19A F 0.1301(6) -0.1842(4) 0.7452(3) 0.120(3) Uani 0.650(6) 1 d D . P C 1 F20A F 0.2056(7) -0.0970(8) 0.7607(5) 0.156(5) Uani 0.650(6) 1 d D . P C 1 F21A F 0.2989(7) -0.1505(8) 0.6937(6) 0.172(5) Uani 0.650(6) 1 d D . P C 1 F22A F 0.2688(6) -0.0347(4) 0.6410(5) 0.155(4) Uani 0.650(6) 1 d D . P C 1 F23A F 0.2016(3) -0.1279(3) 0.6290(2) 0.0662(15) Uani 0.650(6) 1 d D . P C 1 F24A F 0.1125(4) -0.0668(4) 0.6895(4) 0.098(2) Uani 0.650(6) 1 d D . P C 1 F19B F 0.2322(5) -0.1809(4) 0.7634(3) 0.059(2) Uani 0.350(6) 1 d D . P C 2 F20B F 0.1043(4) -0.1254(6) 0.7291(4) 0.057(3) Uani 0.350(6) 1 d D . P C 2 F21B F 0.3339(5) -0.1090(5) 0.6589(4) 0.0471(19) Uani 0.350(6) 1 d D . P C 2 F22B F 0.2132(7) -0.0577(5) 0.6226(4) 0.079(3) Uani 0.350(6) 1 d D . P C 2 F23B F 0.2113(6) -0.1804(5) 0.6647(5) 0.059(2) Uani 0.350(6) 1 d D . P C 2 F24B F 0.2336(6) -0.0530(4) 0.7225(5) 0.052(2) Uani 0.350(6) 1 d D . P C 2 N7 N 0.1251(3) -0.1558(2) 0.5190(2) 0.0600(9) Uani 1 1 d . . . . . C85 C 0.0077(4) -0.2347(5) 0.6437(3) 0.109(3) Uani 1 1 d . . . . . H85A H -0.014532 -0.284001 0.645358 0.164 Uiso 1 1 calc R U . . . H85B H -0.048965 -0.208212 0.655739 0.164 Uiso 1 1 calc R U . . . H85C H 0.043172 -0.242737 0.677559 0.164 Uiso 1 1 calc R U . . . C86 C 0.0718(3) -0.1895(3) 0.5735(2) 0.0546(10) Uani 1 1 d . . . . . N8 N 0.2069(2) 0.03737(18) 0.83494(19) 0.0483(8) Uani 1 1 d . . . . . C87 C 0.0479(3) -0.0469(3) 0.8636(3) 0.0637(12) Uani 1 1 d . . . . . H87A H 0.027544 -0.083266 0.912813 0.096 Uiso 1 1 calc R U . . . H87B H 0.059695 -0.074547 0.832322 0.096 Uiso 1 1 calc R U . . . H87C H -0.003781 -0.014481 0.855927 0.096 Uiso 1 1 calc R U . . . C88 C 0.1373(3) 0.00006(19) 0.84842(18) 0.0384(7) Uani 1 1 d . . . . . N9 N 0.3888(2) 0.07071(14) 0.44114(15) 0.0361(6) Uani 1 1 d . . . . . C89 C 0.1998(3) 0.0404(2) 0.4927(2) 0.0471(9) Uani 1 1 d . . . . . H89A H 0.169757 0.076069 0.460478 0.071 Uiso 1 1 calc R U . . . H89B H 0.176967 0.044757 0.538572 0.071 Uiso 1 1 calc R U . . . H89C H 0.181219 -0.011617 0.498739 0.071 Uiso 1 1 calc R U . . . C90 C 0.3057(3) 0.05811(15) 0.46356(17) 0.0327(7) Uani 1 1 d . . . . . N10 N 0.2208(2) 0.03566(17) 0.3299(2) 0.0500(8) Uani 1 1 d . . . . . C91 C 0.0585(3) -0.0509(3) 0.3750(3) 0.0631(12) Uani 1 1 d . . . . . H91A H 0.051422 -0.090953 0.421252 0.095 Uiso 1 1 calc R U . . . H91B H 0.059110 -0.073941 0.341310 0.095 Uiso 1 1 calc R U . . . H91C H 0.003542 -0.020725 0.379133 0.095 Uiso 1 1 calc R U . . . C92 C 0.1498(3) -0.0018(2) 0.3505(2) 0.0448(8) Uani 1 1 d . . . . . N11 N 0.1686(3) 0.2371(2) 0.2071(2) 0.0626(10) Uani 1 1 d . . . . . C93 C 0.1448(7) 0.1220(3) 0.1779(3) 0.109(3) Uani 1 1 d . . . . . H93A H 0.080725 0.093236 0.208541 0.163 Uiso 1 1 calc R U . . . H93B H 0.196231 0.089311 0.185800 0.163 Uiso 1 1 calc R U . . . H93C H 0.147669 0.139084 0.128491 0.163 Uiso 1 1 calc R U . . . C94 C 0.1591(3) 0.1864(3) 0.1939(2) 0.0561(10) Uani 1 1 d . . . . . N12 N 0.8209(3) 0.3576(3) 0.4795(3) 0.0784(13) Uani 1 1 d . . . . . C95 C 0.9246(4) 0.2926(4) 0.5594(3) 0.0773(17) Uani 1 1 d . . . . . H95A H 0.970231 0.331741 0.557493 0.116 Uiso 1 1 calc R U . . . H95B H 0.961462 0.256103 0.543082 0.116 Uiso 1 1 calc R U . . . H95C H 0.881350 0.266114 0.607995 0.116 Uiso 1 1 calc R U . . . C96 C 0.8674(3) 0.3275(3) 0.5149(2) 0.0546(10) Uani 1 1 d . . . . . N13 N 0.8282(3) 0.7688(3) 0.2910(2) 0.0661(11) Uani 1 1 d . . . . . C97 C 0.8764(4) 0.8731(3) 0.3280(2) 0.0626(11) Uani 1 1 d . . . . . H97A H 0.828701 0.909829 0.325244 0.094 Uiso 1 1 calc R U . . . H97B H 0.941366 0.899094 0.296093 0.094 Uiso 1 1 calc R U . . . H97C H 0.878213 0.849958 0.376414 0.094 Uiso 1 1 calc R U . . . C98 C 0.8487(3) 0.8149(3) 0.30759(19) 0.0492(9) Uani 1 1 d . . . . . N14A N 0.9869(5) 1.0465(4) -0.0175(4) 0.054(2) Uani 0.477(7) 1 d D . P D 1 C99A C 1.0055(5) 1.1048(4) -0.0608(4) 0.0418(19) Uani 0.477(7) 1 d D . P D 1 C12A C 1.0362(4) 1.1726(4) -0.1159(3) 0.0758(15) Uani 0.477(7) 1 d D . P D 1 H12A H 1.100461 1.192366 -0.118664 0.114 Uiso 0.477(7) 1 calc R U P D 1 H12B H 0.989216 1.208451 -0.109406 0.114 Uiso 0.477(7) 1 calc R U P D 1 H12C H 1.041240 1.166018 -0.159717 0.114 Uiso 0.477(7) 1 calc R U P D 1 N14B N 0.8835(6) 1.1692(8) -0.0250(5) 0.099(4) Uani 0.523(7) 1 d D . P D 2 C99B C 0.9545(6) 1.1676(5) -0.0639(4) 0.051(2) Uani 0.523(7) 1 d D . P D 2 C12B C 1.0362(4) 1.1726(4) -0.1159(3) 0.0758(15) Uani 0.523(7) 1 d D . P D 2 H12D H 1.021919 1.187828 -0.160466 0.114 Uiso 0.523(7) 1 calc R U P D 2 H12E H 1.061012 1.123009 -0.105395 0.114 Uiso 0.523(7) 1 calc R U P D 2 H12F H 1.085676 1.210473 -0.120078 0.114 Uiso 0.523(7) 1 calc R U P D 2 N15 N 0.5900(2) 0.92884(14) 0.05071(15) 0.0372(6) Uani 1 1 d . . . . . C101 C 0.7782(3) 0.9625(2) 0.0029(2) 0.0494(9) Uani 1 1 d . . . . . H10A H 0.810082 0.918055 -0.000481 0.074 Uiso 1 1 calc R U . . . H10B H 0.799304 0.979247 0.034788 0.074 Uiso 1 1 calc R U . . . H10C H 0.796444 1.003761 -0.044023 0.074 Uiso 1 1 calc R U . . . C102 C 0.6728(2) 0.94258(15) 0.02997(17) 0.0313(6) Uani 1 1 d . . . . . N16A N 1.1314(5) 0.7719(4) -0.0084(4) 0.068(2) Uani 0.594(8) 1 d . . P E 1 C10A C 1.0918(5) 0.7554(4) -0.0407(4) 0.0524(18) Uani 0.594(8) 1 d . . P E 1 C11A C 1.0468(4) 0.7320(3) -0.0789(3) 0.0705(13) Uani 0.594(8) 1 d . . P E 1 H11A H 1.086814 0.753248 -0.128765 0.106 Uiso 0.594(8) 1 calc R U P E 1 H11B H 0.982191 0.749723 -0.073687 0.106 Uiso 0.594(8) 1 calc R U P E 1 H11C H 1.039473 0.676346 -0.061260 0.106 Uiso 0.594(8) 1 calc R U P E 1 N16B N 1.2425(9) 0.7322(6) -0.1033(9) 0.097(5) Uani 0.406(8) 1 d . . P E 2 C10B C 1.1595(9) 0.7315(6) -0.0904(8) 0.071(4) Uani 0.406(8) 1 d . . P E 2 C11B C 1.0468(4) 0.7320(3) -0.0789(3) 0.0705(13) Uani 0.406(8) 1 d . . P E 2 H11D H 1.019167 0.759321 -0.048410 0.106 Uiso 0.406(8) 1 calc R U P E 2 H11E H 1.014645 0.679562 -0.056467 0.106 Uiso 0.406(8) 1 calc R U P E 2 H11F H 1.036356 0.757351 -0.124505 0.106 Uiso 0.406(8) 1 calc R U P E 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N1 0.0396(13) 0.0137(10) 0.0171(10) -0.0049(8) -0.0100(9) 0.0033(9) N2 0.0375(13) 0.0143(10) 0.0186(10) -0.0069(8) -0.0065(9) 0.0025(9) N3 0.0332(12) 0.0165(10) 0.0191(10) -0.0065(8) -0.0076(9) 0.0065(8) N4 0.0375(12) 0.0133(10) 0.0172(10) -0.0052(8) -0.0085(9) 0.0033(8) N5 0.0298(12) 0.0332(12) 0.0235(11) -0.0121(10) -0.0076(10) 0.0074(10) N6 0.0203(10) 0.0218(10) 0.0265(11) -0.0121(9) -0.0133(9) 0.0054(8) C1 0.0423(16) 0.0138(11) 0.0246(13) -0.0080(10) -0.0062(12) 0.0053(10) C2 0.0304(13) 0.0105(10) 0.0223(12) -0.0053(9) -0.0071(10) 0.0050(9) C3 0.0269(13) 0.0149(11) 0.0285(13) -0.0056(10) -0.0082(11) 0.0030(9) C4 0.0300(13) 0.0147(11) 0.0280(13) -0.0053(10) -0.0126(11) 0.0024(9) C5 0.0312(13) 0.0087(10) 0.0205(12) -0.0017(9) -0.0081(10) 0.0028(9) C6 0.0251(12) 0.0143(10) 0.0240(12) -0.0055(9) -0.0073(10) 0.0031(9) C7 0.0297(13) 0.0152(11) 0.0260(13) -0.0075(10) -0.0117(11) 0.0030(9) C8 0.0439(16) 0.0126(11) 0.0219(12) -0.0036(9) -0.0107(12) 0.0035(10) C9 0.0364(15) 0.0222(13) 0.0334(14) -0.0102(11) -0.0220(12) 0.0056(11) C10 0.0378(15) 0.0218(13) 0.0354(15) -0.0130(11) -0.0228(13) 0.0025(11) C11 0.0306(13) 0.0187(12) 0.0138(11) -0.0070(9) -0.0082(10) 0.0021(10) C12 0.0270(13) 0.0182(12) 0.0229(12) -0.0070(10) -0.0018(10) 0.0007(10) C13 0.0308(14) 0.0192(12) 0.0221(12) -0.0065(10) -0.0010(11) -0.0013(10) C14 0.0308(13) 0.0173(11) 0.0150(11) -0.0081(9) -0.0112(10) 0.0001(9) C15 0.0257(12) 0.0232(12) 0.0174(11) -0.0097(10) -0.0073(10) 0.0003(10) C16 0.0291(13) 0.0220(12) 0.0167(11) -0.0095(10) -0.0068(10) -0.0021(10) C17 0.0289(13) 0.0175(11) 0.0141(10) -0.0074(9) -0.0090(10) 0.0008(9) C18 0.0280(13) 0.0234(12) 0.0184(11) -0.0086(10) -0.0069(10) 0.0014(10) C19 0.0299(13) 0.0215(12) 0.0169(11) -0.0057(10) -0.0077(10) -0.0012(10) C20 0.0341(14) 0.0182(11) 0.0128(10) -0.0079(9) -0.0067(10) 0.0003(10) C21 0.0357(14) 0.0189(12) 0.0219(12) -0.0083(10) -0.0147(11) -0.0001(10) C22 0.0385(15) 0.0176(12) 0.0221(12) -0.0074(10) -0.0108(11) -0.0034(10) C23 0.0325(14) 0.0221(13) 0.0250(13) -0.0095(11) -0.0045(11) 0.0031(10) C24 0.0286(13) 0.0195(12) 0.0237(12) -0.0078(10) -0.0052(11) 0.0005(10) C25 0.0410(15) 0.0108(11) 0.0231(13) -0.0038(9) -0.0097(11) 0.0034(10) C26 0.0336(14) 0.0093(10) 0.0202(12) -0.0032(9) -0.0096(10) 0.0041(9) C27 0.0298(13) 0.0137(11) 0.0290(13) -0.0050(10) -0.0137(11) 0.0024(9) C28 0.0286(13) 0.0163(11) 0.0273(13) -0.0057(10) -0.0095(11) 0.0070(9) C29 0.0347(14) 0.0101(10) 0.0219(12) -0.0059(9) -0.0097(11) 0.0065(9) C30 0.0309(13) 0.0141(11) 0.0265(13) -0.0067(10) -0.0122(11) 0.0023(9) C31 0.0274(13) 0.0131(10) 0.0263(13) -0.0063(9) -0.0094(11) 0.0025(9) C32 0.0439(16) 0.0148(12) 0.0236(13) -0.0082(10) -0.0100(12) 0.0087(10) C33 0.0273(13) 0.0242(13) 0.0307(14) -0.0065(11) -0.0107(11) 0.0068(10) C34 0.0248(13) 0.0225(12) 0.0318(14) -0.0059(11) -0.0124(11) 0.0025(10) C35 0.0270(13) 0.0188(12) 0.0195(11) -0.0085(10) -0.0104(10) 0.0033(10) C36 0.0263(12) 0.0189(12) 0.0224(12) -0.0087(10) -0.0108(10) 0.0042(9) C37 0.0316(13) 0.0195(12) 0.0205(12) -0.0076(10) -0.0099(10) 0.0019(10) C38 0.0243(12) 0.0186(12) 0.0180(11) -0.0082(9) -0.0097(10) 0.0046(9) C39 0.0252(12) 0.0270(13) 0.0231(12) -0.0108(10) -0.0108(10) 0.0034(10) C40 0.0278(13) 0.0255(13) 0.0246(12) -0.0133(10) -0.0098(11) 0.0013(10) C41 0.0291(13) 0.0175(11) 0.0171(11) -0.0091(9) -0.0093(10) 0.0025(9) C42 0.0297(13) 0.0256(12) 0.0234(12) -0.0136(10) -0.0155(11) 0.0067(10) C43 0.0271(13) 0.0225(12) 0.0230(12) -0.0109(10) -0.0137(10) 0.0027(10) C44 0.0313(13) 0.0186(12) 0.0141(11) -0.0079(9) -0.0083(10) 0.0033(10) C45 0.0267(13) 0.0224(13) 0.0266(13) -0.0101(11) -0.0041(11) 0.0016(10) C46 0.0315(14) 0.0195(12) 0.0264(13) -0.0085(10) -0.0032(11) 0.0003(10) C47 0.0351(14) 0.0204(12) 0.0216(12) -0.0076(10) -0.0157(11) 0.0056(10) C48 0.0346(14) 0.0192(12) 0.0216(12) -0.0082(10) -0.0160(11) 0.0019(10) C49 0.0317(14) 0.0200(11) 0.0164(11) -0.0106(9) -0.0103(10) 0.0073(10) C50 0.0342(14) 0.0267(13) 0.0212(12) -0.0128(10) -0.0124(11) 0.0110(11) C51 0.0484(17) 0.0185(12) 0.0215(12) -0.0092(10) -0.0122(12) 0.0106(11) C52 0.0449(17) 0.0195(12) 0.0237(13) -0.0091(11) -0.0044(12) 0.0009(11) C53 0.0309(14) 0.0265(13) 0.0229(12) -0.0112(11) -0.0044(11) 0.0003(11) C54 0.0288(13) 0.0211(12) 0.0174(11) -0.0103(10) -0.0060(10) 0.0051(10) C55 0.0296(13) 0.0252(12) 0.0183(11) -0.0123(10) -0.0097(10) 0.0066(10) C56 0.0313(14) 0.0268(13) 0.0232(12) -0.0110(11) -0.0096(11) 0.0043(11) C57 0.0284(14) 0.0386(15) 0.0234(13) -0.0135(12) -0.0080(11) 0.0075(12) C58 0.0294(15) 0.0353(16) 0.0357(16) -0.0089(13) -0.0087(13) 0.0074(12) C59 0.0303(15) 0.0432(17) 0.0359(16) -0.0096(14) -0.0072(13) 0.0030(13) C60 0.0287(15) 0.0566(19) 0.0244(14) -0.0170(14) -0.0073(12) 0.0069(14) C61 0.0338(16) 0.0517(18) 0.0292(15) -0.0178(14) -0.0108(13) 0.0190(14) C62 0.0354(16) 0.0385(16) 0.0295(14) -0.0147(13) -0.0092(12) 0.0103(13) C63 0.0294(16) 0.080(3) 0.0343(17) -0.0266(19) -0.0096(14) 0.0111(17) C64A 0.028(5) 0.089(8) 0.074(9) -0.012(7) 0.008(6) 0.020(5) C65A 0.040(8) 0.101(14) 0.21(2) -0.037(13) 0.034(10) -0.016(8) C66A 0.045(5) 0.173(19) 0.089(9) -0.084(11) -0.024(5) 0.010(7) C64B 0.030(4) 0.060(6) 0.054(7) -0.026(6) -0.016(5) 0.013(4) C65B 0.008(4) 0.039(5) 0.036(4) -0.015(4) -0.005(3) -0.005(3) C66B 0.019(3) 0.057(6) 0.029(4) -0.026(4) -0.011(3) 0.002(3) C67 0.0162(11) 0.0201(11) 0.0158(10) -0.0090(9) -0.0059(9) 0.0020(8) C68 0.0210(12) 0.0243(12) 0.0240(12) -0.0119(10) -0.0108(10) 0.0012(10) C69 0.0297(13) 0.0209(12) 0.0230(12) -0.0107(10) -0.0088(11) -0.0019(10) C70 0.0359(14) 0.0176(11) 0.0208(12) -0.0083(10) -0.0139(11) 0.0052(10) C71 0.0266(12) 0.0218(12) 0.0204(11) -0.0105(10) -0.0140(10) 0.0074(10) C72 0.0200(11) 0.0198(11) 0.0154(10) -0.0090(9) -0.0102(9) 0.0051(9) C73 0.0170(11) 0.0231(12) 0.0180(11) -0.0108(9) -0.0088(9) 0.0046(9) C74 0.0172(11) 0.0242(12) 0.0250(12) -0.0128(10) -0.0108(10) 0.0051(9) C75 0.0188(11) 0.0266(12) 0.0245(12) -0.0128(10) -0.0125(10) 0.0076(9) C76 0.0253(13) 0.0234(12) 0.0329(14) -0.0102(11) -0.0159(11) 0.0046(10) C77 0.0263(13) 0.0305(14) 0.0323(14) -0.0132(12) -0.0171(11) 0.0118(11) C78 0.0202(12) 0.0382(15) 0.0300(14) -0.0193(12) -0.0132(11) 0.0087(11) C79 0.0264(14) 0.0337(15) 0.0395(16) -0.0132(13) -0.0175(12) -0.0011(11) C80 0.0288(14) 0.0256(13) 0.0341(14) -0.0086(11) -0.0186(12) 0.0046(11) C81 0.0233(14) 0.0559(19) 0.0411(17) -0.0259(15) -0.0202(13) 0.0105(13) C82 0.0425(19) 0.067(2) 0.051(2) -0.0209(19) -0.0344(17) 0.0144(17) C83 0.0213(14) 0.082(3) 0.052(2) -0.034(2) -0.0177(15) 0.0149(16) C84 0.0444(19) 0.063(2) 0.057(2) -0.0320(19) -0.0335(18) 0.0048(16) P1 0.0211(3) 0.0238(3) 0.0223(3) -0.0077(3) -0.0082(3) 0.0006(3) F1 0.0267(8) 0.0289(8) 0.0334(9) -0.0136(7) -0.0068(7) -0.0038(6) F2 0.0340(9) 0.0358(9) 0.0466(10) -0.0111(8) -0.0262(8) 0.0048(7) F3 0.0358(9) 0.0350(9) 0.0402(10) -0.0234(8) -0.0135(8) 0.0007(7) F4 0.0284(9) 0.0355(9) 0.0382(10) 0.0026(8) -0.0083(8) -0.0052(7) F5 0.0303(9) 0.0330(9) 0.0381(9) -0.0087(7) -0.0160(8) 0.0075(7) F6 0.0502(11) 0.0501(11) 0.0285(9) -0.0226(8) -0.0071(8) 0.0057(9) P2 0.0287(4) 0.0384(4) 0.0313(4) -0.0162(3) -0.0131(3) 0.0068(3) F7A 0.0543(16) 0.109(3) 0.0605(17) -0.0580(18) -0.0169(13) 0.0102(16) F8A 0.0561(16) 0.0389(16) 0.0739(19) 0.0018(17) 0.0061(14) 0.0051(15) F9A 0.0544(17) 0.0345(14) 0.116(3) -0.0228(16) -0.0130(18) 0.0138(12) F10A 0.120(5) 0.383(13) 0.192(7) -0.241(9) -0.103(5) 0.088(7) F11A 0.0484(18) 0.077(2) 0.145(4) -0.040(2) 0.011(2) -0.0331(17) F12A 0.062(2) 0.097(3) 0.100(3) -0.034(2) -0.028(2) 0.052(2) F7B 0.0543(16) 0.109(3) 0.0605(17) -0.0580(18) -0.0169(13) 0.0102(16) F8B 0.0561(16) 0.0389(16) 0.0739(19) 0.0018(17) 0.0061(14) 0.0051(15) F9B 0.0544(17) 0.0345(14) 0.116(3) -0.0228(16) -0.0130(18) 0.0138(12) F10B 0.012(6) 0.063(13) 0.007(6) -0.008(8) -0.005(5) 0.013(7) F11B 0.0484(18) 0.077(2) 0.145(4) -0.040(2) 0.011(2) -0.0331(17) F12B 0.076(14) 0.003(6) 0.059(12) -0.002(7) -0.048(12) 0.005(7) P3 0.0425(5) 0.0388(5) 0.0691(7) -0.0173(5) -0.0056(5) 0.0026(4) F13 0.0393(14) 0.0468(15) 0.182(4) 0.0184(19) -0.0142(18) 0.0016(11) F14 0.0629(17) 0.0625(17) 0.117(3) -0.0075(17) -0.0351(18) 0.0013(13) F15 0.138(3) 0.0663(17) 0.0435(14) -0.0069(13) 0.0144(17) 0.0393(19) F16 0.0586(14) 0.0516(13) 0.0526(13) -0.0257(11) -0.0045(11) -0.0103(10) F17 0.0658(16) 0.0432(13) 0.107(2) -0.0193(14) -0.0340(16) 0.0032(11) F18 0.089(2) 0.093(2) 0.159(4) -0.097(3) -0.037(2) 0.0044(18) P4 0.0431(5) 0.0551(5) 0.0345(4) -0.0275(4) -0.0151(4) -0.0019(4) F19A 0.149(6) 0.090(4) 0.069(3) 0.024(3) -0.031(4) -0.023(4) F20A 0.132(7) 0.306(15) 0.118(6) -0.161(9) -0.063(6) 0.035(8) F21A 0.123(7) 0.298(14) 0.169(10) -0.123(10) -0.113(7) 0.157(9) F22A 0.134(6) 0.107(5) 0.194(9) -0.010(5) -0.071(6) -0.078(5) F23A 0.066(3) 0.102(4) 0.054(2) -0.057(3) -0.017(2) 0.009(2) F24A 0.080(4) 0.106(5) 0.123(5) -0.059(4) -0.036(4) 0.052(3) F19B 0.061(4) 0.068(5) 0.037(3) -0.008(3) -0.018(3) -0.014(3) F20B 0.021(3) 0.104(8) 0.057(5) -0.052(5) 0.000(3) -0.004(3) F21B 0.036(3) 0.072(5) 0.040(3) -0.030(3) -0.010(3) -0.002(3) F22B 0.097(7) 0.074(6) 0.064(5) -0.006(4) -0.049(5) 0.026(5) F23B 0.064(4) 0.077(5) 0.069(5) -0.054(5) -0.034(4) 0.012(4) F24B 0.047(4) 0.064(4) 0.059(5) -0.048(4) -0.004(3) -0.003(3) N7 0.0449(18) 0.072(2) 0.058(2) -0.0204(19) -0.0159(18) -0.0020(17) C85 0.072(3) 0.185(7) 0.057(3) -0.044(4) -0.005(3) -0.070(4) C86 0.0380(19) 0.078(3) 0.058(2) -0.035(2) -0.0176(19) -0.0015(19) N8 0.0342(15) 0.0415(16) 0.062(2) -0.0233(15) -0.0006(14) -0.0029(12) C87 0.044(2) 0.069(3) 0.073(3) -0.031(2) -0.008(2) -0.014(2) C88 0.0368(17) 0.0363(16) 0.0374(17) -0.0122(14) -0.0081(14) 0.0008(14) N9 0.0454(16) 0.0216(11) 0.0425(15) -0.0182(11) -0.0085(13) 0.0039(10) C89 0.0445(19) 0.0342(17) 0.063(2) -0.0245(17) -0.0113(17) 0.0016(14) C90 0.0477(19) 0.0169(12) 0.0348(15) -0.0135(11) -0.0107(14) 0.0027(11) N10 0.0422(17) 0.0338(15) 0.063(2) -0.0116(14) -0.0115(15) -0.0087(13) C91 0.045(2) 0.073(3) 0.060(3) -0.020(2) -0.0080(19) -0.016(2) C92 0.044(2) 0.0378(17) 0.0431(19) -0.0071(15) -0.0126(16) -0.0046(15) N11 0.0475(19) 0.064(2) 0.072(3) -0.023(2) -0.0181(18) -0.0045(17) C93 0.209(9) 0.049(3) 0.080(4) -0.003(3) -0.091(5) -0.023(4) C94 0.054(2) 0.053(2) 0.055(2) -0.0071(19) -0.0256(19) -0.0103(18) N12 0.072(3) 0.098(3) 0.074(3) -0.030(3) -0.039(2) -0.009(2) C95 0.061(3) 0.137(5) 0.058(3) -0.059(3) -0.026(2) 0.049(3) C96 0.0408(19) 0.083(3) 0.048(2) -0.033(2) -0.0148(17) 0.0004(19) N13 0.0408(18) 0.104(3) 0.068(2) -0.050(2) -0.0168(17) 0.0060(19) C97 0.072(3) 0.071(3) 0.042(2) -0.016(2) -0.022(2) -0.001(2) C98 0.0337(17) 0.074(3) 0.0329(17) -0.0153(18) -0.0081(14) 0.0063(17) N14A 0.050(4) 0.065(5) 0.041(4) -0.018(4) -0.012(3) -0.009(3) C99A 0.027(3) 0.063(5) 0.037(4) -0.023(4) -0.009(3) -0.006(3) C12A 0.061(3) 0.106(4) 0.053(3) -0.035(3) -0.002(2) -0.011(3) N14B 0.047(4) 0.198(13) 0.060(5) -0.061(7) -0.014(4) 0.024(6) C99B 0.048(4) 0.066(5) 0.037(4) -0.018(3) -0.013(3) 0.009(3) C12B 0.061(3) 0.106(4) 0.053(3) -0.035(3) -0.002(2) -0.011(3) N15 0.0467(17) 0.0230(12) 0.0429(15) -0.0169(11) -0.0106(13) -0.0007(11) C101 0.0394(18) 0.0342(17) 0.073(3) -0.0161(17) -0.0213(18) 0.0044(14) C102 0.0438(18) 0.0188(12) 0.0354(15) -0.0122(11) -0.0164(14) 0.0042(11) N16A 0.058(4) 0.073(4) 0.060(4) -0.012(3) -0.016(3) -0.015(3) C10A 0.044(3) 0.054(4) 0.048(4) -0.010(3) -0.012(3) -0.006(3) C11A 0.059(3) 0.089(4) 0.064(3) -0.037(3) -0.010(2) -0.002(2) N16B 0.059(7) 0.054(6) 0.155(14) -0.016(7) -0.034(7) -0.006(5) C10B 0.048(6) 0.049(6) 0.102(10) -0.005(6) -0.033(6) -0.007(4) C11B 0.059(3) 0.089(4) 0.064(3) -0.037(3) -0.010(2) -0.002(2) 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' F F 0.0727 0.0534 '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' P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C9 N1 C13 120.3(2) . . ? C9 N1 C8 119.4(2) . . ? C13 N1 C8 120.1(2) . . ? C22 N2 C23 120.8(2) . . ? C22 N2 C1 118.8(2) . 2_665 ? C23 N2 C1 120.4(2) . 2_665 ? C37 N3 C33 120.5(2) . . ? C37 N3 C32 119.8(2) . . ? C33 N3 C32 119.3(2) . . ? C46 N4 C47 120.4(2) . . ? C46 N4 C25 119.7(2) . 2_666 ? C47 N4 C25 119.5(2) . 2_666 ? C56 N5 C57 116.1(3) . . ? C74 N6 C75 119.2(2) . . ? N2 C1 C2 109.6(2) 2_665 . ? N2 C1 H1A 109.7 2_665 . ? C2 C1 H1A 109.7 . . ? N2 C1 H1B 109.7 2_665 . ? C2 C1 H1B 109.7 . . ? H1A C1 H1B 108.2 . . ? C3 C2 C7 119.6(3) . . ? C3 C2 C1 120.0(3) . . ? C7 C2 C1 120.4(3) . . ? C4 C3 C2 120.4(3) . . ? C4 C3 H3 119.8 . . ? C2 C3 H3 119.8 . . ? C3 C4 C5 120.3(3) . . ? C3 C4 H4 119.8 . . ? C5 C4 H4 119.8 . . ? C6 C5 C4 119.2(2) . . ? C6 C5 C8 120.6(2) . . ? C4 C5 C8 120.2(3) . . ? C5 C6 C7 120.8(2) . . ? C5 C6 H6 119.6 . . ? C7 C6 H6 119.6 . . ? C6 C7 C2 119.5(3) . . ? C6 C7 H7 120.3 . . ? C2 C7 H7 120.3 . . ? N1 C8 C5 108.8(2) . . ? N1 C8 H8A 109.9 . . ? C5 C8 H8A 109.9 . . ? N1 C8 H8B 109.9 . . ? C5 C8 H8B 109.9 . . ? H8A C8 H8B 108.3 . . ? N1 C9 C10 120.7(3) . . ? N1 C9 H9 119.7 . . ? C10 C9 H9 119.7 . . ? C9 C10 C11 120.9(3) . . ? C9 C10 H10 119.5 . . ? C11 C10 H10 119.5 . . ? C12 C11 C10 116.8(2) . . ? C12 C11 C14 121.6(2) . . ? C10 C11 C14 121.6(2) . . ? C13 C12 C11 120.2(3) . . ? C13 C12 H12 119.9 . . ? C11 C12 H12 119.9 . . ? N1 C13 C12 121.0(3) . . ? N1 C13 H13 119.5 . . ? C12 C13 H13 119.5 . . ? C15 C14 C19 119.1(2) . . ? C15 C14 C11 118.7(2) . . ? C19 C14 C11 122.2(2) . . ? C16 C15 C14 120.9(2) . . ? C16 C15 H15 119.6 . . ? C14 C15 H15 119.6 . . ? C15 C16 C17 120.3(2) . . ? C15 C16 H16 119.8 . . ? C17 C16 H16 119.8 . . ? C16 C17 C18 119.0(2) . . ? C16 C17 C20 118.9(2) . . ? C18 C17 C20 122.0(2) . . ? C19 C18 C17 120.5(2) . . ? C19 C18 H18 119.7 . . ? C17 C18 H18 119.7 . . ? C18 C19 C14 120.1(2) . . ? C18 C19 H19 119.9 . . ? C14 C19 H19 119.9 . . ? C24 C20 C21 117.5(2) . . ? C24 C20 C17 122.1(2) . . ? C21 C20 C17 120.3(2) . . ? C22 C21 C20 120.3(3) . . ? C22 C21 H21 119.8 . . ? C20 C21 H21 119.8 . . ? N2 C22 C21 120.8(3) . . ? N2 C22 H22 119.6 . . ? C21 C22 H22 119.6 . . ? N2 C23 C24 120.6(3) . . ? N2 C23 H23 119.7 . . ? C24 C23 H23 119.7 . . ? C23 C24 C20 120.0(3) . . ? C23 C24 H24 120.0 . . ? C20 C24 H24 120.0 . . ? N4 C25 C26 108.8(2) 2_666 . ? N4 C25 H25A 109.9 2_666 . ? C26 C25 H25A 109.9 . . ? N4 C25 H25B 109.9 2_666 . ? C26 C25 H25B 109.9 . . ? H25A C25 H25B 108.3 . . ? C31 C26 C27 119.4(2) . . ? C31 C26 C25 120.3(2) . . ? C27 C26 C25 120.2(3) . . ? C28 C27 C26 120.0(3) . . ? C28 C27 H27 120.0 . . ? C26 C27 H27 120.0 . . ? C27 C28 C29 120.8(3) . . ? C27 C28 H28 119.6 . . ? C29 C28 H28 119.6 . . ? C28 C29 C30 119.3(2) . . ? C28 C29 C32 120.7(3) . . ? C30 C29 C32 120.0(3) . . ? C31 C30 C29 119.8(3) . . ? C31 C30 H30 120.1 . . ? C29 C30 H30 120.1 . . ? C30 C31 C26 120.6(3) . . ? C30 C31 H31 119.7 . . ? C26 C31 H31 119.7 . . ? N3 C32 C29 108.0(2) . . ? N3 C32 H32A 110.1 . . ? C29 C32 H32A 110.1 . . ? N3 C32 H32B 110.1 . . ? C29 C32 H32B 110.1 . . ? H32A C32 H32B 108.4 . . ? N3 C33 C34 120.7(3) . . ? N3 C33 H33 119.7 . . ? C34 C33 H33 119.7 . . ? C33 C34 C35 120.8(3) . . ? C33 C34 H34 119.6 . . ? C35 C34 H34 119.6 . . ? C36 C35 C34 116.9(2) . . ? C36 C35 C38 121.6(2) . . ? C34 C35 C38 121.4(2) . . ? C37 C36 C35 120.3(2) . . ? C37 C36 H36 119.8 . . ? C35 C36 H36 119.8 . . ? N3 C37 C36 120.8(2) . . ? N3 C37 H37 119.6 . . ? C36 C37 H37 119.6 . . ? C43 C38 C39 118.4(2) . . ? C43 C38 C35 120.4(2) . . ? C39 C38 C35 121.2(2) . . ? C40 C39 C38 120.5(2) . . ? C40 C39 H39 119.8 . . ? C38 C39 H39 119.8 . . ? C39 C40 C41 120.9(2) . . ? C39 C40 H40 119.6 . . ? C41 C40 H40 119.6 . . ? C42 C41 C40 118.4(2) . . ? C42 C41 C44 121.3(2) . . ? C40 C41 C44 119.9(2) . . ? C43 C42 C41 121.0(2) . . ? C43 C42 H42 119.5 . . ? C41 C42 H42 119.5 . . ? C42 C43 C38 120.8(2) . . ? C42 C43 H43 119.6 . . ? C38 C43 H43 119.6 . . ? C45 C44 C48 117.1(2) . . ? C45 C44 C41 121.8(2) . . ? C48 C44 C41 121.0(2) . . ? C46 C45 C44 120.4(3) . . ? C46 C45 H45 119.8 . . ? C44 C45 H45 119.8 . . ? N4 C46 C45 120.8(3) . . ? N4 C46 H46 119.6 . . ? C45 C46 H46 119.6 . . ? N4 C47 C48 120.6(3) . . ? N4 C47 H47 119.7 . . ? C48 C47 H47 119.7 . . ? C47 C48 C44 120.6(3) . . ? C47 C48 H48 119.7 . . ? C44 C48 H48 119.7 . . ? C55 C49 C54 120.0(2) 2_665 . ? C55 C49 C50 122.1(3) 2_665 . ? C54 C49 C50 117.8(2) . . ? C51 C50 C49 120.9(3) . . ? C51 C50 H50 119.6 . . ? C49 C50 H50 119.6 . . ? C50 C51 C52 121.4(3) . . ? C50 C51 H51 119.3 . . ? C52 C51 H51 119.3 . . ? C53 C52 C51 120.0(3) . . ? C53 C52 H52 120.0 . . ? C51 C52 H52 120.0 . . ? C52 C53 C54 121.2(3) . . ? C52 C53 H53 119.4 . . ? C54 C53 H53 119.4 . . ? C55 C54 C53 121.6(3) . . ? C55 C54 C49 119.7(2) . . ? C53 C54 C49 118.6(2) . . ? C54 C55 C49 120.2(3) . 2_665 ? C54 C55 C56 117.4(2) . . ? C49 C55 C56 122.4(2) 2_665 . ? N5 C56 C55 122.6(3) . . ? N5 C56 H56 118.7 . . ? C55 C56 H56 118.7 . . ? C58 C57 C62 119.0(3) . . ? C58 C57 N5 123.0(3) . . ? C62 C57 N5 118.0(3) . . ? C57 C58 C59 120.0(3) . . ? C57 C58 H58 120.0 . . ? C59 C58 H58 120.0 . . ? C60 C59 C58 121.9(3) . . ? C60 C59 H59 119.0 . . ? C58 C59 H59 119.0 . . ? C59 C60 C61 117.4(3) . . ? C59 C60 C63 120.8(3) . . ? C61 C60 C63 121.8(3) . . ? C60 C61 C62 121.6(3) . . ? C60 C61 H61 119.2 . . ? C62 C61 H61 119.2 . . ? C61 C62 C57 119.9(3) . . ? C61 C62 H62 120.0 . . ? C57 C62 H62 120.0 . . ? C65A C63 C66A 126.6(13) . . ? C65A C63 C60 108.6(9) . . ? C66A C63 C60 104.8(5) . . ? C64B C63 C60 115.7(7) . . ? C64B C63 C65B 111.7(8) . . ? C60 C63 C65B 111.3(4) . . ? C64B C63 C66B 105.8(6) . . ? C60 C63 C66B 110.6(3) . . ? C65B C63 C66B 100.5(6) . . ? C65A C63 C64A 106.5(11) . . ? C66A C63 C64A 102.2(9) . . ? C60 C63 C64A 106.7(6) . . ? C63 C64A H64A 109.5 . . ? C63 C64A H64B 109.5 . . ? H64A C64A H64B 109.5 . . ? C63 C64A H64C 109.5 . . ? H64A C64A H64C 109.5 . . ? H64B C64A H64C 109.5 . . ? C63 C65A H65A 109.5 . . ? C63 C65A H65B 109.5 . . ? H65A C65A H65B 109.5 . . ? C63 C65A H65C 109.5 . . ? H65A C65A H65C 109.5 . . ? H65B C65A H65C 109.5 . . ? C63 C66A H66A 109.5 . . ? C63 C66A H66B 109.5 . . ? H66A C66A H66B 109.5 . . ? C63 C66A H66C 109.5 . . ? H66A C66A H66C 109.5 . . ? H66B C66A H66C 109.5 . . ? C63 C64B H64D 109.5 . . ? C63 C64B H64E 109.5 . . ? H64D C64B H64E 109.5 . . ? C63 C64B H64F 109.5 . . ? H64D C64B H64F 109.5 . . ? H64E C64B H64F 109.5 . . ? C63 C65B H65D 109.5 . . ? C63 C65B H65E 109.5 . . ? H65D C65B H65E 109.5 . . ? C63 C65B H65F 109.5 . . ? H65D C65B H65F 109.5 . . ? H65E C65B H65F 109.5 . . ? C63 C66B H66D 109.5 . . ? C63 C66B H66E 109.5 . . ? H66D C66B H66E 109.5 . . ? C63 C66B H66F 109.5 . . ? H66D C66B H66F 109.5 . . ? H66E C66B H66F 109.5 . . ? C73 C67 C68 121.4(2) 2_666 . ? C73 C67 C72 120.0(2) 2_666 . ? C68 C67 C72 118.6(2) . . ? C69 C68 C67 121.2(2) . . ? C69 C68 H68 119.4 . . ? C67 C68 H68 119.4 . . ? C68 C69 C70 120.5(2) . . ? C68 C69 H69 119.8 . . ? C70 C69 H69 119.8 . . ? C71 C70 C69 120.4(2) . . ? C71 C70 H70 119.8 . . ? C69 C70 H70 119.8 . . ? C70 C71 C72 121.3(2) . . ? C70 C71 H71 119.4 . . ? C72 C71 H71 119.4 . . ? C73 C72 C71 122.5(2) . . ? C73 C72 C67 119.6(2) . . ? C71 C72 C67 117.9(2) . . ? C72 C73 C67 120.4(2) . 2_666 ? C72 C73 C74 121.3(2) . . ? C67 C73 C74 118.3(2) 2_666 . ? N6 C74 C73 122.2(2) . . ? N6 C74 H74 118.9 . . ? C73 C74 H74 118.9 . . ? C76 C75 C80 118.4(2) . . ? C76 C75 N6 118.0(2) . . ? C80 C75 N6 123.5(2) . . ? C75 C76 C77 121.2(3) . . ? C75 C76 H76 119.4 . . ? C77 C76 H76 119.4 . . ? C76 C77 C78 120.7(3) . . ? C76 C77 H77 119.6 . . ? C78 C77 H77 119.6 . . ? C79 C78 C77 117.4(3) . . ? C79 C78 C81 121.3(3) . . ? C77 C78 C81 121.2(3) . . ? C80 C79 C78 122.1(3) . . ? C80 C79 H79 119.0 . . ? C78 C79 H79 119.0 . . ? C79 C80 C75 120.2(3) . . ? C79 C80 H80 119.9 . . ? C75 C80 H80 119.9 . . ? C82 C81 C84 108.9(3) . . ? C82 C81 C78 112.4(3) . . ? C84 C81 C78 110.8(3) . . ? C82 C81 C83 109.3(3) . . ? C84 C81 C83 109.1(3) . . ? C78 C81 C83 106.3(3) . . ? C81 C82 H82A 109.5 . . ? C81 C82 H82B 109.5 . . ? H82A C82 H82B 109.5 . . ? C81 C82 H82C 109.5 . . ? H82A C82 H82C 109.5 . . ? H82B C82 H82C 109.5 . . ? C81 C83 H83A 109.5 . . ? C81 C83 H83B 109.5 . . ? H83A C83 H83B 109.5 . . ? C81 C83 H83C 109.5 . . ? H83A C83 H83C 109.5 . . ? H83B C83 H83C 109.5 . . ? C81 C84 H84A 109.5 . . ? C81 C84 H84B 109.5 . . ? H84A C84 H84B 109.5 . . ? C81 C84 H84C 109.5 . . ? H84A C84 H84C 109.5 . . ? H84B C84 H84C 109.5 . . ? F2 P1 F3 90.19(11) . . ? F2 P1 F1 90.18(10) . . ? F3 P1 F1 90.15(9) . . ? F2 P1 F5 179.75(13) . . ? F3 P1 F5 89.93(10) . . ? F1 P1 F5 90.04(10) . . ? F2 P1 F6 90.39(11) . . ? F3 P1 F6 179.23(11) . . ? F1 P1 F6 89.35(10) . . ? F5 P1 F6 89.49(11) . . ? F2 P1 F4 90.01(10) . . ? F3 P1 F4 90.19(11) . . ? F1 P1 F4 179.61(12) . . ? F5 P1 F4 89.77(10) . . ? F6 P1 F4 90.31(11) . . ? F8B P2 F10B 76.3(17) . . ? F8B P2 F9B 113.3(17) . . ? F10B P2 F9B 156.6(13) . . ? F8B P2 F12B 88.8(16) . . ? F10B P2 F12B 36.8(11) . . ? F9B P2 F12B 154.8(14) . . ? F8B P2 F7B 41.0(16) . . ? F10B P2 F7B 92.4(12) . . ? F9B P2 F7B 83.7(16) . . ? F12B P2 F7B 121.5(17) . . ? F10A P2 F11A 86.0(4) . . ? F10A P2 F9A 88.0(4) . . ? F11A P2 F9A 92.2(2) . . ? F10A P2 F7A 175.3(5) . . ? F11A P2 F7A 89.9(2) . . ? F9A P2 F7A 89.9(2) . . ? F10A P2 F12A 96.2(4) . . ? F11A P2 F12A 88.6(2) . . ? F9A P2 F12A 175.8(2) . . ? F7A P2 F12A 86.1(2) . . ? F10A P2 F8A 97.6(4) . . ? F11A P2 F8A 176.3(2) . . ? F9A P2 F8A 88.55(18) . . ? F7A P2 F8A 86.5(2) . . ? F12A P2 F8A 90.4(2) . . ? F8B P2 F11B 154.5(17) . . ? F10B P2 F11B 91.7(17) . . ? F9B P2 F11B 86.5(17) . . ? F12B P2 F11B 69.0(18) . . ? F7B P2 F11B 164.2(19) . . ? F8B F7B P2 69(2) . . ? F8B F7B F9B 106(3) . . ? P2 F7B F9B 49.2(10) . . ? F7B F8B P2 70(2) . . ? P2 F9B F7B 47.2(12) . . ? F12B F10B P2 73.2(15) . . ? F10B F12B P2 70.0(13) . . ? F18 P3 F17 89.3(2) . . ? F18 P3 F15 178.5(2) . . ? F17 P3 F15 90.5(2) . . ? F18 P3 F13 90.2(2) . . ? F17 P3 F13 91.16(17) . . ? F15 P3 F13 91.3(2) . . ? F18 P3 F16 90.20(17) . . ? F17 P3 F16 89.28(15) . . ? F15 P3 F16 88.29(16) . . ? F13 P3 F16 179.39(18) . . ? F18 P3 F14 91.1(2) . . ? F17 P3 F14 178.22(16) . . ? F15 P3 F14 89.1(2) . . ? F13 P3 F14 90.57(17) . . ? F16 P3 F14 88.99(16) . . ? F20B P4 F22B 99.4(5) . . ? F21A P4 F22A 92.2(6) . . ? F21A P4 F23A 92.6(4) . . ? F22A P4 F23A 87.7(4) . . ? F21A P4 F20A 93.1(5) . . ? F22A P4 F20A 93.7(6) . . ? F23A P4 F20A 174.0(4) . . ? F20B P4 F24B 96.8(4) . . ? F22B P4 F24B 96.6(5) . . ? F21A P4 F19A 99.7(7) . . ? F22A P4 F19A 168.0(5) . . ? F23A P4 F19A 90.0(3) . . ? F20A P4 F19A 87.4(5) . . ? F20B P4 F23B 95.6(4) . . ? F22B P4 F23B 88.1(5) . . ? F24B P4 F23B 165.9(4) . . ? F21A P4 F24A 176.2(6) . . ? F22A P4 F24A 84.2(4) . . ? F23A P4 F24A 85.9(3) . . ? F20A P4 F24A 88.5(4) . . ? F19A P4 F24A 83.9(4) . . ? F20B P4 F19B 93.8(5) . . ? F22B P4 F19B 165.5(5) . . ? F24B P4 F19B 87.7(4) . . ? F23B P4 F19B 84.8(4) . . ? F20B P4 F21B 173.7(5) . . ? F22B P4 F21B 86.1(5) . . ? F24B P4 F21B 85.4(4) . . ? F23B P4 F21B 81.6(4) . . ? F19B P4 F21B 80.4(4) . . ? C86 C85 H85A 109.5 . . ? C86 C85 H85B 109.5 . . ? H85A C85 H85B 109.5 . . ? C86 C85 H85C 109.5 . . ? H85A C85 H85C 109.5 . . ? H85B C85 H85C 109.5 . . ? N7 C86 C85 177.1(6) . . ? C88 C87 H87A 109.5 . . ? C88 C87 H87B 109.5 . . ? H87A C87 H87B 109.5 . . ? C88 C87 H87C 109.5 . . ? H87A C87 H87C 109.5 . . ? H87B C87 H87C 109.5 . . ? N8 C88 C87 178.3(5) . . ? C90 C89 H89A 109.5 . . ? C90 C89 H89B 109.5 . . ? H89A C89 H89B 109.5 . . ? C90 C89 H89C 109.5 . . ? H89A C89 H89C 109.5 . . ? H89B C89 H89C 109.5 . . ? N9 C90 C89 178.9(3) . . ? C92 C91 H91A 109.5 . . ? C92 C91 H91B 109.5 . . ? H91A C91 H91B 109.5 . . ? C92 C91 H91C 109.5 . . ? H91A C91 H91C 109.5 . . ? H91B C91 H91C 109.5 . . ? N10 C92 C91 178.1(5) . . ? C94 C93 H93A 109.5 . . ? C94 C93 H93B 109.5 . . ? H93A C93 H93B 109.5 . . ? C94 C93 H93C 109.5 . . ? H93A C93 H93C 109.5 . . ? H93B C93 H93C 109.5 . . ? N11 C94 C93 178.7(7) . . ? C96 C95 H95A 109.5 . . ? C96 C95 H95B 109.5 . . ? H95A C95 H95B 109.5 . . ? C96 C95 H95C 109.5 . . ? H95A C95 H95C 109.5 . . ? H95B C95 H95C 109.5 . . ? N12 C96 C95 177.9(6) . . ? C98 C97 H97A 109.5 . . ? C98 C97 H97B 109.5 . . ? H97A C97 H97B 109.5 . . ? C98 C97 H97C 109.5 . . ? H97A C97 H97C 109.5 . . ? H97B C97 H97C 109.5 . . ? N13 C98 C97 179.0(5) . . ? C99A N14A N14A 150.0(9) . 2_775 ? N14A C99A C12A 174.4(9) . . ? C99A C12A H12A 109.5 . . ? C99A C12A H12B 109.5 . . ? H12A C12A H12B 109.5 . . ? C99A C12A H12C 109.5 . . ? H12A C12A H12C 109.5 . . ? H12B C12A H12C 109.5 . . ? N14B C99B C12B 173.3(10) . . ? C99B C12B H12D 109.5 . . ? C99B C12B H12E 109.5 . . ? H12D C12B H12E 109.5 . . ? C99B C12B H12F 109.5 . . ? H12D C12B H12F 109.5 . . ? H12E C12B H12F 109.5 . . ? C102 C101 H10A 109.5 . . ? C102 C101 H10B 109.5 . . ? H10A C101 H10B 109.5 . . ? C102 C101 H10C 109.5 . . ? H10A C101 H10C 109.5 . . ? H10B C101 H10C 109.5 . . ? N15 C102 C101 178.3(3) . . ? N16A C10A C11A 176.9(9) . . ? C10A C11A H11A 109.5 . . ? C10A C11A H11B 109.5 . . ? H11A C11A H11B 109.5 . . ? C10A C11A H11C 109.5 . . ? H11A C11A H11C 109.5 . . ? H11B C11A H11C 109.5 . . ? N16B C10B C11B 175.5(17) . . ? C10B C11B H11D 109.5 . . ? C10B C11B H11E 109.5 . . ? H11D C11B H11E 109.5 . . ? C10B C11B H11F 109.5 . . ? H11D C11B H11F 109.5 . . ? H11E C11B H11F 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 C9 1.343(4) . ? N1 C13 1.344(4) . ? N1 C8 1.495(3) . ? N2 C22 1.343(4) . ? N2 C23 1.353(4) . ? N2 C1 1.497(3) 2_665 ? N3 C37 1.340(4) . ? N3 C33 1.349(4) . ? N3 C32 1.499(3) . ? N4 C46 1.346(4) . ? N4 C47 1.347(4) . ? N4 C25 1.499(3) 2_666 ? N5 C56 1.274(4) . ? N5 C57 1.412(4) . ? N6 C74 1.272(3) . ? N6 C75 1.424(3) . ? C1 C2 1.509(4) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 C3 1.392(4) . ? C2 C7 1.399(4) . ? C3 C4 1.385(4) . ? C3 H3 0.9500 . ? C4 C5 1.394(4) . ? C4 H4 0.9500 . ? C5 C6 1.392(4) . ? C5 C8 1.511(4) . ? C6 C7 1.393(4) . ? C6 H6 0.9500 . ? C7 H7 0.9500 . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C9 C10 1.370(4) . ? C9 H9 0.9500 . ? C10 C11 1.399(4) . ? C10 H10 0.9500 . ? C11 C12 1.395(4) . ? C11 C14 1.477(3) . ? C12 C13 1.381(4) . ? C12 H12 0.9500 . ? C13 H13 0.9500 . ? C14 C15 1.395(4) . ? C14 C19 1.398(4) . ? C15 C16 1.383(4) . ? C15 H15 0.9500 . ? C16 C17 1.392(4) . ? C16 H16 0.9500 . ? C17 C18 1.403(4) . ? C17 C20 1.476(3) . ? C18 C19 1.389(4) . ? C18 H18 0.9500 . ? C19 H19 0.9500 . ? C20 C24 1.400(4) . ? C20 C21 1.404(4) . ? C21 C22 1.369(4) . ? C21 H21 0.9500 . ? C22 H22 0.9500 . ? C23 C24 1.376(4) . ? C23 H23 0.9500 . ? C24 H24 0.9500 . ? C25 C26 1.510(4) . ? C25 H25A 0.9900 . ? C25 H25B 0.9900 . ? C26 C31 1.395(4) . ? C26 C27 1.397(4) . ? C27 C28 1.383(4) . ? C27 H27 0.9500 . ? C28 C29 1.396(4) . ? C28 H28 0.9500 . ? C29 C30 1.400(4) . ? C29 C32 1.503(4) . ? C30 C31 1.392(4) . ? C30 H30 0.9500 . ? C31 H31 0.9500 . ? C32 H32A 0.9900 . ? C32 H32B 0.9900 . ? C33 C34 1.368(4) . ? C33 H33 0.9500 . ? C34 C35 1.399(4) . ? C34 H34 0.9500 . ? C35 C36 1.396(4) . ? C35 C38 1.476(3) . ? C36 C37 1.382(4) . ? C36 H36 0.9500 . ? C37 H37 0.9500 . ? C38 C43 1.396(4) . ? C38 C39 1.398(4) . ? C39 C40 1.392(4) . ? C39 H39 0.9500 . ? C40 C41 1.395(4) . ? C40 H40 0.9500 . ? C41 C42 1.392(4) . ? C41 C44 1.479(3) . ? C42 C43 1.386(4) . ? C42 H42 0.9500 . ? C43 H43 0.9500 . ? C44 C45 1.392(4) . ? C44 C48 1.399(4) . ? C45 C46 1.377(4) . ? C45 H45 0.9500 . ? C46 H46 0.9500 . ? C47 C48 1.373(4) . ? C47 H47 0.9500 . ? C48 H48 0.9500 . ? C49 C55 1.416(4) 2_665 ? C49 C54 1.435(4) . ? C49 C50 1.439(4) . ? C50 C51 1.362(4) . ? C50 H50 0.9500 . ? C51 C52 1.398(5) . ? C51 H51 0.9500 . ? C52 C53 1.368(4) . ? C52 H52 0.9500 . ? C53 C54 1.432(4) . ? C53 H53 0.9500 . ? C54 C55 1.415(4) . ? C55 C56 1.464(4) . ? C56 H56 0.9500 . ? C57 C58 1.387(5) . ? C57 C62 1.393(4) . ? C58 C59 1.390(4) . ? C58 H58 0.9500 . ? C59 C60 1.384(5) . ? C59 H59 0.9500 . ? C60 C61 1.390(5) . ? C60 C63 1.534(5) . ? C61 C62 1.392(5) . ? C61 H61 0.9500 . ? C62 H62 0.9500 . ? C63 C65A 1.43(2) . ? C63 C66A 1.462(13) . ? C63 C64B 1.483(14) . ? C63 C65B 1.543(12) . ? C63 C66B 1.623(9) . ? C63 C64A 1.625(16) . ? C64A H64A 0.9800 . ? C64A H64B 0.9800 . ? C64A H64C 0.9800 . ? C65A H65A 0.9800 . ? C65A H65B 0.9800 . ? C65A H65C 0.9800 . ? C66A H66A 0.9800 . ? C66A H66B 0.9800 . ? C66A H66C 0.9800 . ? C64B H64D 0.9800 . ? C64B H64E 0.9800 . ? C64B H64F 0.9800 . ? C65B H65D 0.9800 . ? C65B H65E 0.9800 . ? C65B H65F 0.9800 . ? C66B H66D 0.9800 . ? C66B H66E 0.9800 . ? C66B H66F 0.9800 . ? C67 C73 1.419(3) 2_666 ? C67 C68 1.435(3) . ? C67 C72 1.441(3) . ? C68 C69 1.359(4) . ? C68 H68 0.9500 . ? C69 C70 1.418(4) . ? C69 H69 0.9500 . ? C70 C71 1.367(4) . ? C70 H70 0.9500 . ? C71 C72 1.431(3) . ? C71 H71 0.9500 . ? C72 C73 1.407(3) . ? C73 C74 1.484(3) . ? C74 H74 0.9500 . ? C75 C76 1.389(4) . ? C75 C80 1.390(4) . ? C76 C77 1.391(4) . ? C76 H76 0.9500 . ? C77 C78 1.398(4) . ? C77 H77 0.9500 . ? C78 C79 1.390(4) . ? C78 C81 1.535(4) . ? C79 C80 1.389(4) . ? C79 H79 0.9500 . ? C80 H80 0.9500 . ? C81 C82 1.517(5) . ? C81 C84 1.533(5) . ? C81 C83 1.552(5) . ? C82 H82A 0.9800 . ? C82 H82B 0.9800 . ? C82 H82C 0.9800 . ? C83 H83A 0.9800 . ? C83 H83B 0.9800 . ? C83 H83C 0.9800 . ? C84 H84A 0.9800 . ? C84 H84B 0.9800 . ? C84 H84C 0.9800 . ? P1 F2 1.5932(18) . ? P1 F3 1.5982(18) . ? P1 F1 1.6000(17) . ? P1 F5 1.6015(17) . ? P1 F6 1.6036(19) . ? P1 F4 1.6071(18) . ? P2 F8B 1.47(3) . ? P2 F10B 1.525(17) . ? P2 F9B 1.53(3) . ? P2 F12B 1.554(15) . ? P2 F10A 1.549(5) . ? P2 F7B 1.48(3) . ? P2 F11A 1.557(3) . ? P2 F9A 1.577(3) . ? P2 F7A 1.589(3) . ? P2 F12A 1.601(3) . ? P2 F8A 1.609(3) . ? P2 F11B 1.65(3) . ? F7B F8B 1.03(4) . ? F7B F9B 2.01(4) . ? F10B F12B 0.97(3) . ? P3 F18 1.577(3) . ? P3 F17 1.587(3) . ? P3 F15 1.589(3) . ? P3 F13 1.594(3) . ? P3 F16 1.602(2) . ? P3 F14 1.604(3) . ? P4 F20B 1.452(6) . ? P4 F21A 1.470(6) . ? P4 F22B 1.495(7) . ? P4 F22A 1.564(6) . ? P4 F23A 1.565(4) . ? P4 F20A 1.567(6) . ? P4 F24B 1.577(7) . ? P4 F19A 1.581(6) . ? P4 F23B 1.625(7) . ? P4 F24A 1.661(5) . ? P4 F19B 1.692(7) . ? P4 F21B 1.718(7) . ? N7 C86 1.135(6) . ? C85 C86 1.444(7) . ? C85 H85A 0.9800 . ? C85 H85B 0.9800 . ? C85 H85C 0.9800 . ? N8 C88 1.131(5) . ? C87 C88 1.455(5) . ? C87 H87A 0.9800 . ? C87 H87B 0.9800 . ? C87 H87C 0.9800 . ? N9 C90 1.138(5) . ? C89 C90 1.456(5) . ? C89 H89A 0.9800 . ? C89 H89B 0.9800 . ? C89 H89C 0.9800 . ? N10 C92 1.120(5) . ? C91 C92 1.455(5) . ? C91 H91A 0.9800 . ? C91 H91B 0.9800 . ? C91 H91C 0.9800 . ? N11 C94 1.125(6) . ? C93 C94 1.428(7) . ? C93 H93A 0.9800 . ? C93 H93B 0.9800 . ? C93 H93C 0.9800 . ? N12 C96 1.159(6) . ? C95 C96 1.428(6) . ? C95 H95A 0.9800 . ? C95 H95B 0.9800 . ? C95 H95C 0.9800 . ? N13 C98 1.137(6) . ? C97 C98 1.437(7) . ? C97 H97A 0.9800 . ? C97 H97B 0.9800 . ? C97 H97C 0.9800 . ? N14A C99A 1.123(10) . ? N14A N14A 1.741(16) 2_775 ? C99A C12A 1.352(9) . ? C12A H12A 0.9800 . ? C12A H12B 0.9800 . ? C12A H12C 0.9800 . ? N14B C99B 1.122(10) . ? C99B C12B 1.337(8) . ? C12B H12D 0.9800 . ? C12B H12E 0.9800 . ? C12B H12F 0.9800 . ? N15 C102 1.137(4) . ? C101 C102 1.451(5) . ? C101 H10A 0.9800 . ? C101 H10B 0.9800 . ? C101 H10C 0.9800 . ? N16A C10A 1.148(10) . ? C10A C11A 1.377(10) . ? C11A H11A 0.9800 . ? C11A H11B 0.9800 . ? C11A H11C 0.9800 . ? N16B C10B 1.145(16) . ? C10B C11B 1.570(12) . ? C11B H11D 0.9800 . ? C11B H11E 0.9800 . ? C11B H11F 0.9800 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 C1 C2 C3 -89.9(3) 2_665 . . . ? N2 C1 C2 C7 87.1(3) 2_665 . . . ? C7 C2 C3 C4 -3.4(4) . . . . ? C1 C2 C3 C4 173.6(2) . . . . ? C2 C3 C4 C5 -0.3(4) . . . . ? C3 C4 C5 C6 3.7(4) . . . . ? C3 C4 C5 C8 -173.8(2) . . . . ? C4 C5 C6 C7 -3.6(3) . . . . ? C8 C5 C6 C7 173.9(2) . . . . ? C5 C6 C7 C2 0.0(4) . . . . ? C3 C2 C7 C6 3.5(3) . . . . ? C1 C2 C7 C6 -173.5(2) . . . . ? C9 N1 C8 C5 -82.4(3) . . . . ? C13 N1 C8 C5 92.4(3) . . . . ? C6 C5 C8 N1 -86.7(3) . . . . ? C4 C5 C8 N1 90.8(3) . . . . ? C13 N1 C9 C10 -2.4(4) . . . . ? C8 N1 C9 C10 172.4(3) . . . . ? N1 C9 C10 C11 -1.2(5) . . . . ? C9 C10 C11 C12 4.0(4) . . . . ? C9 C10 C11 C14 -173.2(3) . . . . ? C10 C11 C12 C13 -3.4(4) . . . . ? C14 C11 C12 C13 173.9(2) . . . . ? C9 N1 C13 C12 3.1(4) . . . . ? C8 N1 C13 C12 -171.7(2) . . . . ? C11 C12 C13 N1 0.0(4) . . . . ? C12 C11 C14 C15 -148.4(3) . . . . ? C10 C11 C14 C15 28.7(4) . . . . ? C12 C11 C14 C19 29.9(4) . . . . ? C10 C11 C14 C19 -153.0(3) . . . . ? C19 C14 C15 C16 -1.4(4) . . . . ? C11 C14 C15 C16 176.9(2) . . . . ? C14 C15 C16 C17 -0.4(4) . . . . ? C15 C16 C17 C18 1.8(4) . . . . ? C15 C16 C17 C20 -176.5(2) . . . . ? C16 C17 C18 C19 -1.4(4) . . . . ? C20 C17 C18 C19 176.8(2) . . . . ? C17 C18 C19 C14 -0.5(4) . . . . ? C15 C14 C19 C18 1.8(4) . . . . ? C11 C14 C19 C18 -176.4(2) . . . . ? C16 C17 C20 C24 146.8(3) . . . . ? C18 C17 C20 C24 -31.4(4) . . . . ? C16 C17 C20 C21 -30.0(3) . . . . ? C18 C17 C20 C21 151.8(3) . . . . ? C24 C20 C21 C22 -1.4(4) . . . . ? C17 C20 C21 C22 175.5(2) . . . . ? C23 N2 C22 C21 1.4(4) . . . . ? C1 N2 C22 C21 -175.0(2) 2_665 . . . ? C20 C21 C22 N2 0.0(4) . . . . ? C22 N2 C23 C24 -1.3(4) . . . . ? C1 N2 C23 C24 174.9(2) 2_665 . . . ? N2 C23 C24 C20 -0.1(4) . . . . ? C21 C20 C24 C23 1.5(4) . . . . ? C17 C20 C24 C23 -175.4(2) . . . . ? N4 C25 C26 C31 -88.1(3) 2_666 . . . ? N4 C25 C26 C27 88.9(3) 2_666 . . . ? C31 C26 C27 C28 2.7(3) . . . . ? C25 C26 C27 C28 -174.3(2) . . . . ? C26 C27 C28 C29 0.3(4) . . . . ? C27 C28 C29 C30 -3.1(4) . . . . ? C27 C28 C29 C32 173.0(2) . . . . ? C28 C29 C30 C31 2.9(3) . . . . ? C32 C29 C30 C31 -173.3(2) . . . . ? C29 C30 C31 C26 0.1(4) . . . . ? C27 C26 C31 C30 -2.9(3) . . . . ? C25 C26 C31 C30 174.1(2) . . . . ? C37 N3 C32 C29 -91.2(3) . . . . ? C33 N3 C32 C29 81.9(3) . . . . ? C28 C29 C32 N3 -86.7(3) . . . . ? C30 C29 C32 N3 89.4(3) . . . . ? C37 N3 C33 C34 0.1(4) . . . . ? C32 N3 C33 C34 -173.0(3) . . . . ? N3 C33 C34 C35 -0.1(4) . . . . ? C33 C34 C35 C36 0.0(4) . . . . ? C33 C34 C35 C38 178.9(3) . . . . ? C34 C35 C36 C37 0.1(4) . . . . ? C38 C35 C36 C37 -178.8(2) . . . . ? C33 N3 C37 C36 0.0(4) . . . . ? C32 N3 C37 C36 173.0(2) . . . . ? C35 C36 C37 N3 -0.1(4) . . . . ? C36 C35 C38 C43 -16.1(4) . . . . ? C34 C35 C38 C43 165.1(3) . . . . ? C36 C35 C38 C39 162.6(3) . . . . ? C34 C35 C38 C39 -16.2(4) . . . . ? C43 C38 C39 C40 -0.7(4) . . . . ? C35 C38 C39 C40 -179.5(2) . . . . ? C38 C39 C40 C41 -0.7(4) . . . . ? C39 C40 C41 C42 2.0(4) . . . . ? C39 C40 C41 C44 175.3(2) . . . . ? C40 C41 C42 C43 -1.8(4) . . . . ? C44 C41 C42 C43 -175.0(2) . . . . ? C41 C42 C43 C38 0.4(4) . . . . ? C39 C38 C43 C42 0.9(4) . . . . ? C35 C38 C43 C42 179.7(2) . . . . ? C42 C41 C44 C45 -163.3(3) . . . . ? C40 C41 C44 C45 23.6(4) . . . . ? C42 C41 C44 C48 20.4(4) . . . . ? C40 C41 C44 C48 -152.7(3) . . . . ? C48 C44 C45 C46 3.9(4) . . . . ? C41 C44 C45 C46 -172.6(2) . . . . ? C47 N4 C46 C45 -1.8(4) . . . . ? C25 N4 C46 C45 170.6(3) 2_666 . . . ? C44 C45 C46 N4 -1.4(4) . . . . ? C46 N4 C47 C48 2.4(4) . . . . ? C25 N4 C47 C48 -170.0(2) 2_666 . . . ? N4 C47 C48 C44 0.2(4) . . . . ? C45 C44 C48 C47 -3.3(4) . . . . ? C41 C44 C48 C47 173.2(2) . . . . ? C55 C49 C50 C51 -179.9(2) 2_665 . . . ? C54 C49 C50 C51 2.2(4) . . . . ? C49 C50 C51 C52 0.9(4) . . . . ? C50 C51 C52 C53 -3.2(4) . . . . ? C51 C52 C53 C54 2.4(4) . . . . ? C52 C53 C54 C55 -177.6(3) . . . . ? C52 C53 C54 C49 0.7(4) . . . . ? C55 C49 C54 C55 -2.6(4) 2_665 . . . ? C50 C49 C54 C55 175.4(2) . . . . ? C55 C49 C54 C53 179.1(2) 2_665 . . . ? C50 C49 C54 C53 -2.9(4) . . . . ? C53 C54 C55 C49 -179.2(2) . . . 2_665 ? C49 C54 C55 C49 2.6(4) . . . 2_665 ? C53 C54 C55 C56 0.6(4) . . . . ? C49 C54 C55 C56 -177.6(2) . . . . ? C57 N5 C56 C55 -176.5(2) . . . . ? C54 C55 C56 N5 136.4(3) . . . . ? C49 C55 C56 N5 -43.9(4) 2_665 . . . ? C56 N5 C57 C58 44.8(4) . . . . ? C56 N5 C57 C62 -136.7(3) . . . . ? C62 C57 C58 C59 1.6(5) . . . . ? N5 C57 C58 C59 -179.9(3) . . . . ? C57 C58 C59 C60 0.7(5) . . . . ? C58 C59 C60 C61 -1.3(5) . . . . ? C58 C59 C60 C63 177.5(3) . . . . ? C59 C60 C61 C62 -0.5(5) . . . . ? C63 C60 C61 C62 -179.2(3) . . . . ? C60 C61 C62 C57 2.8(5) . . . . ? C58 C57 C62 C61 -3.3(5) . . . . ? N5 C57 C62 C61 178.1(3) . . . . ? C59 C60 C63 C65A 33.8(12) . . . . ? C61 C60 C63 C65A -147.5(12) . . . . ? C59 C60 C63 C66A -103.8(11) . . . . ? C61 C60 C63 C66A 74.9(11) . . . . ? C59 C60 C63 C64B 172.5(7) . . . . ? C61 C60 C63 C64B -8.8(8) . . . . ? C59 C60 C63 C65B 43.6(6) . . . . ? C61 C60 C63 C65B -137.7(5) . . . . ? C59 C60 C63 C66B -67.2(6) . . . . ? C61 C60 C63 C66B 111.5(5) . . . . ? C59 C60 C63 C64A 148.2(7) . . . . ? C61 C60 C63 C64A -33.1(8) . . . . ? C73 C67 C68 C69 -178.2(2) 2_666 . . . ? C72 C67 C68 C69 0.7(4) . . . . ? C67 C68 C69 C70 1.9(4) . . . . ? C68 C69 C70 C71 -1.6(4) . . . . ? C69 C70 C71 C72 -1.5(4) . . . . ? C70 C71 C72 C73 -178.5(2) . . . . ? C70 C71 C72 C67 4.0(4) . . . . ? C73 C67 C72 C73 -2.2(4) 2_666 . . . ? C68 C67 C72 C73 178.8(2) . . . . ? C73 C67 C72 C71 175.4(2) 2_666 . . . ? C68 C67 C72 C71 -3.6(3) . . . . ? C71 C72 C73 C67 -175.3(2) . . . 2_666 ? C67 C72 C73 C67 2.3(4) . . . 2_666 ? C71 C72 C73 C74 5.5(4) . . . . ? C67 C72 C73 C74 -177.0(2) . . . . ? C75 N6 C74 C73 175.0(2) . . . . ? C72 C73 C74 N6 44.6(4) . . . . ? C67 C73 C74 N6 -134.6(3) 2_666 . . . ? C74 N6 C75 C76 148.8(3) . . . . ? C74 N6 C75 C80 -35.7(4) . . . . ? C80 C75 C76 C77 2.8(4) . . . . ? N6 C75 C76 C77 178.5(3) . . . . ? C75 C76 C77 C78 -0.6(4) . . . . ? C76 C77 C78 C79 -1.4(4) . . . . ? C76 C77 C78 C81 175.7(3) . . . . ? C77 C78 C79 C80 1.2(5) . . . . ? C81 C78 C79 C80 -175.8(3) . . . . ? C78 C79 C80 C75 1.0(5) . . . . ? C76 C75 C80 C79 -2.9(4) . . . . ? N6 C75 C80 C79 -178.4(3) . . . . ? C79 C78 C81 C82 -160.9(3) . . . . ? C77 C78 C81 C82 22.1(4) . . . . ? C79 C78 C81 C84 -38.9(4) . . . . ? C77 C78 C81 C84 144.2(3) . . . . ? C79 C78 C81 C83 79.5(4) . . . . ? C77 C78 C81 C83 -97.4(4) . . . . ? F10B P2 F7B F8B -66(3) . . . . ? F9B P2 F7B F8B 137(3) . . . . ? F12B P2 F7B F8B -42(3) . . . . ? F11B P2 F7B F8B -171(6) . . . . ? F8B P2 F7B F9B -137(3) . . . . ? F10B P2 F7B F9B 156.9(13) . . . . ? F12B P2 F7B F9B -179.4(13) . . . . ? F11B P2 F7B F9B 52(6) . . . . ? F9B F7B F8B P2 32.3(19) . . . . ? F10B P2 F8B F7B 110(3) . . . . ? F9B P2 F8B F7B -47(3) . . . . ? F12B P2 F8B F7B 145(2) . . . . ? F11B P2 F8B F7B 174(4) . . . . ? F8B P2 F9B F7B 29.0(18) . . . . ? F10B P2 F9B F7B -81(3) . . . . ? F12B P2 F9B F7B 179(3) . . . . ? F11B P2 F9B F7B -167.5(17) . . . . ? F8B P2 F10B F12B 107(2) . . . . ? F9B P2 F10B F12B -135(3) . . . . ? F7B P2 F10B F12B 145(2) . . . . ? F11B P2 F10B F12B -50(2) . . . . ? F8B P2 F12B F10B -68(2) . . . . ? F9B P2 F12B F10B 139(3) . . . . ? F7B P2 F12B F10B -42(2) . . . . ? F11B P2 F12B F10B 124(2) . . . . ?