#------------------------------------------------------------------------------ #$Date: 2020-04-25 01:18:02 +0300 (Sat, 25 Apr 2020) $ #$Revision: 251163 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/79/1557901.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_1557901 loop_ _publ_author_name 'Itami, Kenichiro' 'Okude, Ryo' 'Mori, Genki' 'Yagi, Akiko' _publ_section_title ; Programmable Synthesis of Multiply Arylated Cubanes through C-H Metalation and Arylation ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/D0SC01909G _journal_year 2020 _chemical_formula_moiety 'C42 H34 F9 N O' _chemical_formula_sum 'C42 H34 F9 N O' _chemical_formula_weight 739.70 _space_group_crystal_system orthorhombic _space_group_IT_number 56 _space_group_name_Hall '-P 2ab 2ac' _space_group_name_H-M_alt 'P c c n' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary iterative _audit_creation_date 2020-02-21 _audit_creation_method ; Olex2 1.3 (compiled 2019.11.21 svn.r41b79517 for OlexSys, GUI svn.r6003) ; _audit_update_record ; 2020-03-30 deposited with the CCDC. 2020-04-24 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 37.6320(10) _cell_length_b 14.8891(4) _cell_length_c 13.0219(4) _cell_measurement_reflns_used 9923 _cell_measurement_temperature 123(2) _cell_measurement_theta_max 26.3190 _cell_measurement_theta_min 2.1160 _cell_volume 7296.3(4) _computing_cell_refinement 'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)' _computing_data_collection 'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)' _computing_molecular_graphics 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.3 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT (Sheldrick, 2015)' _diffrn_ambient_temperature 123(2) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 5.8140 _diffrn_detector_type 'Pilatus 200K' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.841 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -69.00 -41.00 0.50 20.36 -- 11.29 -57.00-120.00 56 2 \w -21.00 11.00 0.50 20.36 -- 11.29 -57.00-120.00 64 3 \w -15.00 62.00 0.50 20.36 -- 11.29 -99.00 0.00 154 4 \w 2.00 39.00 0.50 20.36 -- 11.29 77.00 146.00 74 5 \w 60.00 86.00 0.50 20.36 -- 11.29 77.00 146.00 52 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'ROD, Synergy Custom system, Pilatus 200K' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0186332000 _diffrn_orient_matrix_UB_12 -0.0040060000 _diffrn_orient_matrix_UB_13 -0.0066842000 _diffrn_orient_matrix_UB_21 0.0000624000 _diffrn_orient_matrix_UB_22 -0.0399691000 _diffrn_orient_matrix_UB_23 0.0296510000 _diffrn_orient_matrix_UB_31 -0.0028047000 _diffrn_orient_matrix_UB_32 0.0256134000 _diffrn_orient_matrix_UB_33 0.0452170000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0503 _diffrn_reflns_av_unetI/netI 0.0600 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.841 _diffrn_reflns_limit_h_max 46 _diffrn_reflns_limit_h_min -49 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 27734 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.841 _diffrn_reflns_theta_full 25.000 _diffrn_reflns_theta_max 27.888 _diffrn_reflns_theta_min 2.123 _diffrn_source 'Rotating-anode X-ray tube' _diffrn_source_type 'Rigaku (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.112 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.73948 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.40.39a (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.347 _exptl_crystal_description needle _exptl_crystal_F_000 3056 _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.05 _refine_diff_density_max 0.510 _refine_diff_density_min -0.352 _refine_diff_density_rms 0.064 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 510 _refine_ls_number_reflns 7329 _refine_ls_number_restraints 54 _refine_ls_restrained_S_all 1.124 _refine_ls_R_factor_all 0.1062 _refine_ls_R_factor_gt 0.0697 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0659P)^2^+8.8591P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1559 _refine_ls_wR_factor_ref 0.1699 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5137 _reflns_number_total 7329 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0sc01909g2.cif _cod_data_source_block 5a _cod_database_code 1557901 _shelx_shelxl_version_number 2018/3 _chemical_oxdiff_formula 'C42 H34 F9 N O' _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_max 0.994 _shelx_estimated_absorpt_t_min 0.983 _reflns_odcompleteness_completeness 99.69 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 25.01 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances F1-C01C = F00X-C01C = F00Y-C01C = F01H-C01C = F01I-C01C = F01G-C01C 1.35 with sigma of 0.01 F00Y-C01C = F01H-C01C = F00X-C01C = F1-C01C = F01G-C01C = F01I-C01C 1.35 with sigma of 0.01 F1-F01I 2.2 with sigma of 0.02 F00Y-F1 2.2 with sigma of 0.02 F00X-F01H 2.2 with sigma of 0.02 F00Y-F01I 2.2 with sigma of 0.02 F01H-F01G 2.2 with sigma of 0.02 F00X-F01G 2.2 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints Uanis(F00X) \\sim Ueq, Uanis(F01G) \\sim Ueq, Uanis(F01H) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F00Y) \\sim Ueq, Uanis(F01I) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01 4. Others Sof(F1)=Sof(F00Y)=Sof(F01I)=1-FVAR(1) Sof(F00X)=Sof(F01G)=Sof(F01H)=FVAR(1) 5.a Ternary CH refined with riding coordinates: C00F(H00F), C00G(H00G), C00M(H00M), C00Z(H00Z), C017(H017) 5.b Aromatic/amide H refined with riding coordinates: C00B(H00B), C00H(H00H), C00J(H00J), C00L(H00L), C00Q(H00Q), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00Y(H00Y), C012(H012), C013(H013), C014(H014), C018(H018), C01B(H01J), C01D(H01K), C01F(H01O) 5.c Idealised Me refined as rotating group: C016(H01A,H01B,H01C), C019(H01D,H01E,H01F), C01A(H01G,H01H,H01I), C01E(H01L, H01M,H01N) ; _shelx_res_file ; TITL tetra_cs2_methf_2_a.res in Pccn tetra_cs2_methf_2.res created by SHELXL-2018/3 at 13:10:44 on 21-Feb-2020 REM Old TITL tetra_cs2_methf_2_a.res in Pccn REM SHELXT solution in Pccn: R1 0.215, Rweak 0.021, Alpha 0.044 REM 1.373 for 746 systematic absences, Orientation as input REM Formula found by SHELXT: C44 F6 N O2 CELL 0.71073 37.632 14.8891 13.0219 90 90 90 ZERR 8 0.001 0.0004 0.0004 0 0 0 LATT 1 SYMM 0.5-X,0.5-Y,+Z SYMM -X,0.5+Y,0.5-Z SYMM 0.5+X,-Y,0.5-Z SFAC C H F N O UNIT 336 272 72 8 8 ISOR 0.01 0.01 F00X F01G F01H F1 F00Y F01I DFIX 1.35 0.01 F1 C01C F00X C01C F00Y C01C F01H C01C F01I C01C F01G C01C DFIX 1.35 0.01 F00Y C01C F01H C01C F00X C01C F1 C01C F01G C01C F01I C01C DFIX 2.2 F1 F01I DFIX 2.2 F00Y F1 DFIX 2.2 F00X F01H DFIX 2.2 F00Y F01I DFIX 2.2 F01H F01G DFIX 2.2 F00X F01G L.S. 10 0 0 PLAN 1 SIZE 0.15 0.1 0.05 TEMP -150(2) CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta 50 OMIT 1 1 0 REM REM REM WGHT 0.065900 8.859100 FVAR 0.22208 0.46839 F001 3 0.662422 -0.094125 0.402896 11.00000 0.04609 0.02001 = 0.04803 0.00366 0.00222 0.00136 F002 3 0.697109 -0.035857 0.291345 11.00000 0.05746 0.03895 = 0.03864 0.00278 0.02185 0.02274 F003 3 0.709611 -0.027148 0.451845 11.00000 0.03901 0.04743 = 0.05708 -0.00959 -0.02004 0.01980 O004 5 0.646201 0.422680 0.217366 11.00000 0.02121 0.04631 = 0.01694 0.00325 0.00083 -0.00134 F005 3 0.517453 0.461176 -0.146449 11.00000 0.04560 0.09510 = 0.02571 0.00356 -0.01312 -0.00347 F006 3 0.572778 0.455606 -0.165926 11.00000 0.05133 0.12438 = 0.02509 0.01605 0.01278 0.04619 F007 3 0.547095 0.579874 -0.129829 11.00000 0.14388 0.04189 = 0.03767 0.01612 -0.02961 -0.00259 N008 4 0.679263 0.416110 0.361409 11.00000 0.01546 0.02127 = 0.01661 0.00261 0.00156 0.00067 C009 1 0.613268 0.529074 0.516244 11.00000 0.01377 0.02077 = 0.01693 -0.00123 0.00068 0.00433 C00A 1 0.624146 0.222585 0.413131 11.00000 0.01392 0.01501 = 0.02072 -0.00087 -0.00106 -0.00047 C00B 1 0.630204 0.167412 0.497033 11.00000 0.01654 0.02182 = 0.01651 0.00080 0.00114 0.00080 AFIX 43 H00B 2 0.621018 0.184028 0.562276 11.00000 -1.20000 AFIX 0 C00C 1 0.647810 0.413808 0.311588 11.00000 0.01874 0.01356 = 0.01865 -0.00029 0.00204 -0.00039 C00D 1 0.598061 0.448738 0.465493 11.00000 0.01659 0.01817 = 0.01360 0.00034 0.00105 -0.00054 C00E 1 0.602514 0.305493 0.419107 11.00000 0.01762 0.01615 = 0.01575 -0.00038 0.00178 -0.00037 C00F 1 0.587683 0.356396 0.515486 11.00000 0.01774 0.01743 = 0.01739 0.00106 0.00338 0.00040 AFIX 13 H00F 2 0.592322 0.339199 0.588500 11.00000 -1.20000 AFIX 0 C00G 1 0.560692 0.453022 0.412637 11.00000 0.01665 0.01470 = 0.01944 0.00077 0.00004 0.00052 AFIX 13 H00G 2 0.545191 0.507544 0.410575 11.00000 -1.20000 AFIX 0 C00H 1 0.628331 0.597966 0.457997 11.00000 0.02248 0.02202 = 0.01695 -0.00188 -0.00120 0.00241 AFIX 43 H00H 2 0.629778 0.591798 0.385505 11.00000 -1.20000 AFIX 0 C00I 1 0.566817 0.428385 0.206973 11.00000 0.01800 0.01853 = 0.01892 -0.00031 0.00086 0.00318 C00J 1 0.649413 0.088454 0.487509 11.00000 0.02265 0.01947 = 0.01748 0.00389 -0.00035 0.00002 AFIX 43 H00J 2 0.653402 0.051389 0.545762 11.00000 -1.20000 AFIX 0 C00K 1 0.575062 0.402535 0.315384 11.00000 0.01478 0.01700 = 0.02156 0.00104 -0.00094 -0.00026 C00L 1 0.610951 0.540178 0.621989 11.00000 0.02663 0.02240 = 0.01873 0.00135 0.00120 -0.00075 AFIX 43 H00L 2 0.600442 0.494365 0.662683 11.00000 -1.20000 AFIX 0 C00M 1 0.564961 0.311614 0.366730 11.00000 0.01805 0.01717 = 0.01926 -0.00021 -0.00317 -0.00109 AFIX 13 H00M 2 0.552855 0.260752 0.330799 11.00000 -1.20000 AFIX 0 C00N 1 0.662738 0.064012 0.392539 11.00000 0.01547 0.02007 = 0.02318 0.00001 0.00139 -0.00041 C00O 1 0.550006 0.360898 0.463965 11.00000 0.01877 0.01857 = 0.01926 -0.00069 -0.00021 0.00019 C00P 1 0.613377 0.398483 0.368158 11.00000 0.01693 0.01627 = 0.01452 -0.00058 -0.00101 0.00141 C00Q 1 0.577321 0.511310 0.167475 11.00000 0.02591 0.02093 = 0.02248 -0.00147 -0.00386 -0.00290 AFIX 43 H00Q 2 0.589212 0.553021 0.210683 11.00000 -1.20000 AFIX 0 C00R 1 0.638950 0.684158 0.610163 11.00000 0.02514 0.02053 = 0.02457 -0.00336 -0.00459 0.00189 C00S 1 0.548365 0.370547 0.143527 11.00000 0.02317 0.02047 = 0.02478 -0.00084 -0.00180 -0.00171 AFIX 43 H00S 2 0.540477 0.314459 0.169795 11.00000 -1.20000 AFIX 0 C00T 1 0.541097 0.392737 0.041993 11.00000 0.02569 0.03035 = 0.01878 -0.00503 -0.00481 0.00119 AFIX 43 H00T 2 0.528161 0.352329 -0.000318 11.00000 -1.20000 AFIX 0 C00U 1 0.641162 0.674949 0.504105 11.00000 0.02582 0.01988 = 0.02455 0.00228 -0.00144 -0.00028 AFIX 43 H00U 2 0.651426 0.721275 0.463646 11.00000 -1.20000 AFIX 0 C00V 1 0.657067 0.117877 0.307139 11.00000 0.02182 0.02334 = 0.02261 -0.00010 0.00453 0.00045 AFIX 43 H00V 2 0.666244 0.100845 0.242026 11.00000 -1.20000 AFIX 0 C00W 1 0.515801 0.341911 0.516367 11.00000 0.02305 0.01693 = 0.02947 0.00220 0.00259 0.00250 PART 1 F00X 3 0.654607 0.837475 0.603400 21.00000 0.12742 0.03853 = 0.03719 0.00560 -0.00725 -0.04759 PART 0 C00Y 1 0.637955 0.196459 0.317763 11.00000 0.02452 0.01986 = 0.01918 0.00222 0.00274 0.00141 AFIX 43 H00Y 2 0.634097 0.233478 0.259399 11.00000 -1.20000 AFIX 0 C00Z 1 0.683885 0.394291 0.471447 11.00000 0.01702 0.02795 = 0.01583 0.00360 -0.00099 0.00105 AFIX 13 H00Z 2 0.659788 0.383817 0.501520 11.00000 -1.20000 AFIX 0 C010 1 0.552729 0.473575 0.002948 11.00000 0.02217 0.02551 = 0.02109 0.00172 0.00152 0.00885 C011 1 0.682879 -0.022364 0.384249 11.00000 0.02697 0.02408 = 0.02728 -0.00017 0.00063 0.00428 C012 1 0.570647 0.533554 0.066252 11.00000 0.02665 0.02248 = 0.02596 0.00745 -0.00038 -0.00102 AFIX 43 H012 2 0.578305 0.589833 0.039951 11.00000 -1.20000 AFIX 0 C013 1 0.623715 0.616879 0.668666 11.00000 0.03554 0.02796 = 0.01628 -0.00375 -0.00406 0.00454 AFIX 43 H013 2 0.622035 0.623471 0.741067 11.00000 -1.20000 AFIX 0 C014 1 0.512194 0.352176 0.622009 11.00000 0.02368 0.02800 = 0.03146 0.00599 0.00279 0.00335 AFIX 43 H014 2 0.531618 0.374243 0.661183 11.00000 -1.20000 AFIX 0 C015 1 0.547904 0.493391 -0.107994 11.00000 0.02944 0.03752 = 0.02234 -0.00099 -0.00069 0.00834 C016 1 0.701275 0.470957 0.530863 11.00000 0.02133 0.03775 = 0.02383 -0.00384 -0.00457 0.00060 AFIX 137 H01A 2 0.725940 0.478040 0.508118 11.00000 -1.50000 H01B 2 0.700852 0.457275 0.604467 11.00000 -1.50000 H01C 2 0.688197 0.526780 0.518153 11.00000 -1.50000 AFIX 0 C017 1 0.712318 0.434047 0.301972 11.00000 0.01655 0.03272 = 0.02535 0.00620 0.00188 0.00039 AFIX 13 H017 2 0.732323 0.432988 0.352504 11.00000 -1.20000 AFIX 0 C018 1 0.486452 0.312398 0.460175 11.00000 0.02346 0.02832 = 0.04103 -0.00145 0.00034 0.00088 AFIX 43 H018 2 0.488153 0.306503 0.387700 11.00000 -1.20000 AFIX 0 C019 1 0.705623 0.308123 0.485454 11.00000 0.01993 0.03147 = 0.03422 0.01249 -0.00394 0.00117 AFIX 137 H01D 2 0.695431 0.260220 0.443073 11.00000 -1.50000 H01E 2 0.705084 0.290043 0.557800 11.00000 -1.50000 H01F 2 0.730256 0.319003 0.464447 11.00000 -1.50000 AFIX 0 C01A 1 0.712098 0.527420 0.254902 11.00000 0.02533 0.03574 = 0.03921 0.01288 0.00373 -0.00486 AFIX 137 H01G 2 0.692995 0.531467 0.203961 11.00000 -1.50000 H01H 2 0.734986 0.538853 0.221470 11.00000 -1.50000 H01I 2 0.708169 0.572166 0.308914 11.00000 -1.50000 AFIX 0 C01B 1 0.480491 0.330521 0.670982 11.00000 0.03428 0.03313 = 0.03459 0.01185 0.00932 0.00905 AFIX 43 H01J 2 0.478506 0.337089 0.743322 11.00000 -1.20000 AFIX 0 C01C 1 0.653594 0.765777 0.660013 11.00000 0.04511 0.02529 = 0.03627 -0.00831 -0.00962 0.00214 C01D 1 0.451873 0.299491 0.614792 11.00000 0.02937 0.02752 = 0.05850 0.01222 0.01473 0.00274 AFIX 43 H01K 2 0.430326 0.283677 0.648227 11.00000 -1.20000 AFIX 0 C01E 1 0.720128 0.360554 0.223594 11.00000 0.02812 0.04722 = 0.03076 -0.00145 0.01155 0.00738 AFIX 137 H01L 2 0.718519 0.301687 0.256937 11.00000 -1.50000 H01M 2 0.744112 0.368882 0.195863 11.00000 -1.50000 H01N 2 0.702773 0.363863 0.167614 11.00000 -1.50000 AFIX 0 C01F 1 0.454942 0.291696 0.509239 11.00000 0.02358 0.03236 = 0.06083 -0.00535 0.00228 -0.00458 AFIX 43 H01O 2 0.435145 0.271874 0.470056 11.00000 -1.20000 AFIX 0 PART 1 F01G 3 0.631765 0.791130 0.739384 21.00000 0.09275 0.06245 = 0.07624 -0.05678 0.03028 -0.02906 F01H 3 0.683666 0.752519 0.706971 21.00000 0.07704 0.05357 = 0.12880 -0.03821 -0.07041 0.00932 PART 0 PART 2 F1 3 0.638187 0.839710 0.626751 -21.00000 0.07256 0.02675 = 0.10097 -0.01693 -0.03338 0.01095 F00Y 3 0.687994 0.780683 0.631696 -21.00000 0.04769 0.07509 = 0.11945 -0.06445 0.00372 -0.02018 F01I 3 0.653697 0.767184 0.759275 -21.00000 0.15397 0.05739 = 0.02825 -0.00322 -0.01823 -0.05293 HKLF 4 REM tetra_cs2_methf_2_a.res in Pccn REM wR2 = 0.1699, GooF = S = 1.071, Restrained GooF = 1.124 for all data REM R1 = 0.0697 for 5137 Fo > 4sig(Fo) and 0.1062 for all 7329 data REM 510 parameters refined using 54 restraints END WGHT 0.0659 8.8587 REM Highest difference peak 0.510, deepest hole -0.352, 1-sigma level 0.064 Q1 1 0.5794 0.5240 -0.1458 11.00000 0.05 0.51 ; _shelx_res_checksum 51892 _shelx_hkl_file ; 3 0 0 0.79 0.41 4 0 0 9869.18 379.36 -4 0 0 9999.00 379.36 -5 0 0 1.67 1.13 5 0 0 2.96 1.12 -6 0 0 3453.02 132.71 6 0 0 3479.38 132.68 -7 0 0 1.68 1.40 7 0 0 1.04 1.65 8 0 0 3478.66 131.40 -8 0 0 3374.53 131.46 9 0 0 2.24 1.88 -9 0 0 -1.20 1.52 -10 0 0 1906.41 76.13 10 0 0 2035.69 76.04 11 0 0 6.74 2.00 -11 0 0 5.98 1.70 -12 0 0 4237.18 162.70 12 0 0 4243.87 162.61 -13 0 0 2.06 1.82 13 0 0 6.88 2.29 14 0 0 3917.51 153.66 -14 0 0 4099.53 153.77 15 0 0 16.95 2.76 -15 0 0 6.18 2.37 -16 0 0 167.66 7.90 16 0 0 177.59 8.00 -17 0 0 -2.29 2.45 17 0 0 -0.27 2.72 18 0 0 5.22 2.90 -18 0 0 1.22 2.44 19 0 0 -2.53 2.99 -19 0 0 -3.21 2.45 -20 0 0 467.83 19.26 20 0 0 462.34 19.23 21 0 0 3.95 2.99 22 0 0 224.36 10.29 23 0 0 7.40 3.17 24 0 0 55.96 4.49 -25 0 0 7.61 2.33 25 0 0 9.53 3.38 -26 0 0 67.55 4.15 -27 0 0 5.87 2.46 -28 0 0 2.97 2.33 -29 0 0 5.49 2.67 -30 0 0 793.57 31.80 -31 0 0 30.78 3.52 -32 0 0 408.86 17.33 -33 0 0 9.28 3.25 -34 0 0 351.01 15.32 -35 0 0 16.43 3.69 -36 0 0 578.35 24.08 -37 0 0 11.05 3.81 -38 0 0 19.26 4.10 -39 0 0 5.05 3.69 -40 0 0 6.25 3.87 -41 0 0 2.95 3.99 -42 0 0 27.42 4.83 -43 0 0 -0.29 4.37 -44 0 0 57.56 5.90 -45 0 0 15.19 4.97 -46 0 0 15.98 4.98 -47 0 0 -0.98 4.91 -48 0 0 -4.38 5.16 -49 0 0 4.85 5.17 1 -1 0 0.22 0.44 2 1 0 1.80 0.59 -2 -1 0 -0.19 0.58 -3 -1 0 297.18 3.21 3 1 0 301.98 3.23 -4 1 0 26.84 1.72 4 1 0 38.01 1.75 5 1 0 1961.89 73.07 -5 1 0 1846.09 73.09 6 1 0 16.29 1.68 -6 1 0 11.90 1.60 -7 1 0 400.87 15.53 7 1 0 384.11 15.48 -8 1 0 55.21 3.52 8 1 0 83.65 3.76 9 1 0 1115.41 43.01 -9 1 0 1106.19 43.08 -10 1 0 2.03 1.85 10 1 0 1.09 2.08 11 1 0 55.75 3.54 -11 1 0 53.00 3.37 -12 1 0 -0.20 1.92 12 1 0 1.03 2.31 13 1 0 26.29 2.78 -13 1 0 20.43 2.58 -14 1 0 -1.65 1.97 14 1 0 0.33 2.38 15 1 0 74.84 4.46 -15 1 0 77.54 4.43 16 1 0 0.63 2.59 -16 1 0 -0.68 2.16 17 1 0 39.80 3.74 -17 1 0 53.12 3.51 -18 1 0 2.76 2.29 18 1 0 1.56 2.58 -19 1 0 142.18 6.90 19 1 0 137.86 7.01 20 1 0 8.51 2.93 21 1 0 58.45 4.37 22 1 0 -0.35 3.02 23 1 0 3.08 3.20 -24 -1 0 4.52 1.91 24 1 0 5.46 3.27 25 1 0 2.74 3.30 -25 -1 0 5.14 2.15 -25 1 0 5.98 2.26 -26 1 0 1.96 2.25 -26 -1 0 -1.41 2.09 -27 -1 0 60.26 3.81 -27 1 0 53.86 3.96 -28 -1 0 0.77 2.23 -28 1 0 4.41 2.53 -29 1 0 8.61 2.77 -29 -1 0 5.28 2.49 -30 1 0 3.99 2.68 -30 -1 0 3.84 2.54 -31 -1 0 5.26 2.74 -31 1 0 -0.79 2.68 -32 -1 0 2.01 2.75 -32 1 0 -0.62 2.93 -33 -1 0 4.19 3.02 -33 1 0 4.47 3.05 -34 -1 0 8.17 3.23 -34 1 0 9.12 3.45 -35 -1 0 89.91 5.80 -35 1 0 93.57 6.11 -36 -1 0 4.73 3.30 -36 1 0 1.44 3.19 -37 1 0 4.97 3.67 -37 -1 0 7.81 3.54 -38 -1 0 0.93 3.38 -38 1 0 1.03 3.81 -39 -1 0 4.07 3.77 -39 1 0 6.36 3.89 -40 1 0 2.47 4.09 -40 -1 0 0.49 3.79 -41 -1 0 29.23 4.55 -41 1 0 35.58 5.05 -42 1 0 8.71 4.46 -42 -1 0 1.32 3.97 -43 -1 0 6.25 4.29 -43 1 0 8.11 4.58 -44 -1 0 -1.13 4.24 -44 1 0 2.16 4.51 -45 1 0 4.13 4.61 -45 -1 0 2.04 4.48 -46 1 0 0.33 4.78 -46 -1 0 0.30 4.67 -47 1 0 9.76 5.03 -47 -1 0 -4.70 4.95 -48 -1 0 -3.87 5.02 -48 1 0 -1.75 5.28 0 -2 0 6293.52 241.21 0 2 0 6326.79 241.22 1 -2 0 1.36 1.06 -1 2 0 0.62 0.96 -2 2 0 108.95 4.94 2 -2 0 119.52 4.96 3 -2 0 1.83 1.52 -3 2 0 0.99 0.81 3 2 0 0.68 1.22 -3 -2 0 -1.28 1.48 -4 -2 0 244.22 10.31 -4 2 0 251.33 10.06 4 2 0 255.94 10.04 4 2 0 274.72 10.36 -5 2 0 1.43 1.14 -5 -2 0 1.91 1.68 5 2 0 1.29 1.19 5 2 0 -0.62 1.32 6 2 0 2229.04 84.43 -6 2 0 2243.42 84.24 6 2 0 2135.06 84.17 7 2 0 9.62 1.75 -7 2 0 4.21 1.51 7 2 0 3.35 1.47 8 2 0 6492.25 243.05 8 2 0 6303.76 243.29 -8 2 0 6244.40 243.10 -9 2 0 2.74 1.87 9 2 0 5.00 2.01 -10 2 0 1280.37 49.19 10 2 0 1259.06 49.10 11 -2 0 2.05 2.14 -11 2 0 -0.46 1.88 11 2 0 1.30 2.25 -11 -2 0 -1.33 1.78 -12 -2 0 7.76 1.84 -12 2 0 8.10 1.91 12 -2 0 4.48 2.19 12 2 0 8.34 2.25 13 -2 0 -0.91 2.28 -13 -2 0 -0.74 1.97 13 2 0 0.92 2.06 -13 2 0 -1.98 2.01 -14 2 0 86.88 4.43 14 -2 0 83.05 4.52 -14 -2 0 71.40 4.41 14 2 0 89.22 4.58 -15 -2 0 -0.37 2.07 15 -2 0 -0.58 2.38 -15 2 0 -0.64 1.83 15 2 0 -0.59 2.29 16 -2 0 31.75 3.21 16 2 0 32.77 3.18 -16 -2 0 29.30 2.95 -16 2 0 27.27 2.85 -17 2 0 -2.18 2.20 17 2 0 3.49 2.54 17 -2 0 -2.37 2.72 -17 -2 0 0.56 2.34 18 2 0 314.08 12.85 18 -2 0 298.77 12.76 -18 -2 0 268.59 12.75 -18 2 0 319.04 12.84 -19 2 0 -1.64 2.16 19 -2 0 0.73 2.84 19 2 0 -0.75 2.66 20 2 0 5.70 2.94 20 -2 0 0.31 2.89 21 2 0 4.65 2.91 21 -2 0 1.14 2.90 22 2 0 1274.45 48.90 22 -2 0 1211.09 48.78 23 -2 0 15.02 3.54 23 2 0 9.23 3.44 -23 -2 0 5.96 1.78 24 -2 0 25.37 3.78 24 2 0 21.29 3.63 -24 -2 0 21.36 2.31 -25 2 0 0.50 2.11 -25 -2 0 2.36 1.86 -26 2 0 96.23 5.41 -26 -2 0 94.42 4.94 -27 -2 0 3.95 2.17 -27 2 0 2.35 2.47 -28 2 0 149.55 7.55 -28 -2 0 151.29 7.15 -29 2 0 1.17 2.54 -29 -2 0 3.00 2.24 -30 2 0 43.18 3.81 -30 -2 0 38.92 3.47 -31 2 0 6.49 3.07 -31 -2 0 4.79 2.68 -32 2 0 30.41 3.86 -32 -2 0 31.09 3.36 -33 2 0 2.03 3.10 -33 -2 0 1.80 2.84 -34 2 0 51.73 4.56 -34 -2 0 47.08 4.18 -35 -2 0 1.37 3.17 -35 2 0 3.42 3.60 -36 -2 0 4.49 3.23 -36 2 0 3.79 3.78 -37 2 0 0.78 3.71 -37 -2 0 1.27 3.43 -38 2 0 26.44 4.28 -38 -2 0 26.07 4.04 -39 -2 0 -5.00 3.64 -39 2 0 2.23 4.14 -40 2 0 7.49 4.24 -40 -2 0 2.12 3.65 -41 -2 0 2.19 3.71 -41 2 0 0.59 4.10 -42 -2 0 14.85 4.22 -42 2 0 14.33 4.87 -43 -2 0 3.40 4.06 -43 2 0 2.51 4.57 -44 2 0 1.62 4.42 -44 -2 0 3.53 4.43 -45 2 0 -7.30 4.94 -45 -2 0 1.42 4.42 -46 -2 0 8.49 5.01 -46 2 0 6.48 5.03 -47 2 0 -1.76 5.20 0 3 0 3.36 0.75 0 3 0 -1.83 1.54 -1 3 0 2703.71 115.82 1 -3 0 2777.49 115.80 -2 3 0 31.83 2.27 2 -3 0 31.42 2.59 -3 3 0 1229.25 51.75 3 -3 0 1271.37 51.74 -3 -3 0 1207.87 51.72 4 -3 0 3.45 2.09 -4 -3 0 -1.28 2.12 -4 3 0 -0.33 0.99 5 -3 0 52.17 2.35 5 3 0 50.77 2.34 5 -3 0 34.25 3.05 -5 3 0 41.02 2.30 -5 -3 0 45.38 2.26 -5 -3 0 33.50 2.97 5 3 0 37.52 2.82 6 -3 0 45.72 2.21 -6 -3 0 29.07 2.00 6 3 0 15.97 2.31 6 3 0 36.87 2.16 -6 3 0 30.36 2.12 7 -3 0 4626.64 172.87 -7 3 0 4724.23 172.90 7 3 0 4483.66 172.86 -7 -3 0 4411.40 172.86 7 3 0 4247.96 173.19 -8 3 0 68.42 3.43 8 3 0 87.06 3.73 8 -3 0 84.76 3.66 -8 -3 0 67.02 3.33 9 3 0 282.30 11.91 -9 3 0 280.92 11.60 -9 -3 0 292.66 11.57 9 3 0 285.95 11.63 9 -3 0 282.96 11.59 10 -3 0 42.44 2.72 10 3 0 36.53 2.68 -10 3 0 22.72 2.29 10 3 0 14.77 2.42 -10 -3 0 26.72 2.26 11 3 0 3187.29 118.87 11 3 0 2983.06 119.15 11 -3 0 3074.77 118.81 -11 3 0 2984.02 118.86 -11 -3 0 3215.42 118.86 -12 3 0 22.10 2.42 12 -3 0 32.51 2.88 -12 -3 0 24.05 2.23 12 3 0 26.79 2.57 12 3 0 12.03 2.46 -13 3 0 219.44 9.36 13 3 0 210.83 9.58 -13 -3 0 215.85 9.27 13 -3 0 224.78 9.35 13 3 0 212.94 9.35 14 -3 0 36.35 3.15 -14 3 0 37.98 3.11 -14 -3 0 37.83 3.07 14 3 0 37.20 3.26 -15 -3 0 828.38 32.06 15 -3 0 818.25 32.07 15 3 0 811.71 32.07 -15 3 0 793.19 32.08 -16 -3 0 2.58 2.21 -16 3 0 1.37 1.95 16 -3 0 3.82 2.70 16 3 0 2.28 2.61 17 3 0 19.24 2.98 17 -3 0 17.25 2.92 -17 3 0 20.12 2.69 18 -3 0 3.05 2.70 18 3 0 1.42 2.67 19 3 0 94.27 5.39 19 -3 0 90.59 5.23 20 3 0 -2.69 2.97 -20 -3 0 4.56 1.56 20 -3 0 4.30 2.78 21 -3 0 146.46 7.48 -21 -3 0 160.07 6.74 21 3 0 145.10 7.59 -22 -3 0 14.73 2.02 22 -3 0 18.80 3.45 22 3 0 14.39 3.31 -23 -3 0 958.45 36.55 23 -3 0 904.60 37.15 23 3 0 925.36 37.26 -24 -3 0 9.12 1.97 -24 3 0 7.75 2.50 -25 3 0 312.90 13.28 -25 -3 0 303.87 12.73 -26 3 0 12.78 2.63 -26 -3 0 9.69 2.14 -27 3 0 6.34 2.62 -27 -3 0 7.31 2.17 -28 -3 0 8.68 2.43 -28 3 0 13.16 2.98 -29 3 0 698.48 28.25 -29 -3 0 691.27 27.70 -30 3 0 6.61 3.15 -30 -3 0 6.80 2.46 -31 3 0 64.21 5.00 -31 -3 0 65.21 4.26 -32 -3 0 7.64 2.80 -32 3 0 1.15 2.95 -33 3 0 16.20 3.46 -33 -3 0 12.05 2.92 -34 3 0 2.98 3.51 -34 -3 0 0.71 2.74 -35 -3 0 17.58 3.43 -35 3 0 16.47 3.99 -36 3 0 1.60 3.74 -36 -3 0 1.15 2.96 -37 3 0 30.56 4.61 -37 -3 0 28.61 3.92 -38 -3 0 2.91 3.30 -38 3 0 8.23 4.25 -39 -3 0 65.00 5.15 -39 3 0 69.53 6.05 -40 3 0 4.54 4.35 -40 -3 0 -3.80 3.66 -41 -3 0 18.17 3.90 -41 3 0 23.98 4.87 -42 3 0 -0.32 4.41 -42 -3 0 -0.49 3.95 -43 3 0 3.95 4.95 -43 -3 0 -3.04 3.99 -44 3 0 6.10 4.70 -44 -3 0 3.42 4.25 -45 3 0 7.64 5.15 -46 3 0 -1.43 5.30 0 4 0 47.59 3.13 0 4 0 49.44 2.31 -1 4 0 0.73 1.64 -1 4 0 2.69 1.07 1 -4 0 1.17 2.21 1 4 0 1.80 0.88 1 4 0 0.52 1.58 2 4 0 591.06 22.42 2 -4 0 576.00 23.08 -2 4 0 571.50 22.59 -2 4 0 574.16 23.07 3 -4 0 2.09 2.32 -3 4 0 1.42 1.74 4 -4 0 408.66 16.61 -4 -4 0 441.30 16.68 -4 4 0 376.89 16.59 5 -4 0 -0.78 2.01 6 -4 0 901.65 35.03 6 -4 0 912.33 35.65 6 4 0 911.22 35.03 7 -4 0 0.12 2.44 7 -4 0 10.33 1.63 7 4 0 1.03 1.78 7 4 0 6.71 1.59 -8 4 0 1969.86 75.75 8 4 0 2006.62 76.30 8 -4 0 1959.41 75.73 8 4 0 1965.50 75.72 9 4 0 -0.27 1.77 -9 4 0 1.20 1.59 9 4 0 5.44 1.81 9 -4 0 3.50 1.79 10 4 0 2039.21 79.18 -10 4 0 2056.16 78.75 10 -4 0 2082.38 78.70 10 4 0 2001.37 78.68 -11 4 0 1.02 1.76 11 4 0 1.65 2.08 11 4 0 -0.15 2.12 11 -4 0 1.62 1.96 -12 4 0 279.66 11.88 12 -4 0 272.96 11.82 12 4 0 300.77 12.34 12 4 0 298.81 11.86 13 4 0 0.20 2.25 13 4 0 0.16 2.13 13 -4 0 0.60 2.22 14 4 0 16.29 2.59 14 4 0 21.07 2.67 14 -4 0 17.76 2.58 15 4 0 -0.24 2.44 15 4 0 3.04 2.24 -15 -4 0 0.60 1.03 15 -4 0 0.35 2.43 16 4 0 287.01 12.39 -16 -4 0 286.57 11.63 16 4 0 320.44 12.91 16 -4 0 298.16 12.44 17 -4 0 2.99 2.58 17 4 0 1.48 2.45 17 4 0 -0.99 2.52 -17 -4 0 2.28 1.14 -18 -4 0 29.31 1.89 18 4 0 24.15 3.20 18 4 0 29.42 3.44 18 -4 0 24.85 3.08 19 -4 0 2.02 2.82 19 4 0 4.99 2.70 19 4 0 1.34 2.89 -19 -4 0 1.29 1.27 -20 -4 0 60.69 3.10 20 4 0 55.17 4.56 20 4 0 64.43 4.40 20 -4 0 58.15 4.29 -21 -4 0 0.95 1.42 21 4 0 -0.24 2.75 22 4 0 251.96 11.53 -22 -4 0 239.46 10.02 23 4 0 5.93 3.04 -23 -4 0 2.01 1.66 -24 -4 0 7.91 1.81 -25 -4 0 2.81 1.80 -26 -4 0 -0.11 1.81 -27 -4 0 0.83 1.90 -27 4 0 2.04 2.63 -28 -4 0 39.42 3.11 -28 4 0 43.82 3.96 -29 4 0 3.92 2.95 -29 -4 0 3.68 2.28 -30 -4 0 36.02 3.19 -30 4 0 35.48 4.01 -31 4 0 -1.41 3.25 -31 -4 0 1.02 2.41 -32 4 0 35.49 4.33 -32 -4 0 30.95 3.28 -33 -4 0 1.43 2.62 -33 4 0 2.02 3.59 -34 -4 0 5.17 2.77 -34 4 0 10.96 3.74 -35 4 0 -0.54 3.53 -35 -4 0 1.39 2.96 -36 -4 0 1.99 2.95 -36 4 0 12.08 4.12 -37 4 0 4.35 4.03 -37 -4 0 2.46 3.19 -38 4 0 38.21 5.23 -38 -4 0 41.38 4.27 -39 4 0 2.46 4.30 -39 -4 0 4.35 3.34 -40 -4 0 5.62 3.74 40 4 0 6.89 5.81 -40 4 0 10.16 4.57 -41 4 0 -4.25 4.70 41 4 0 4.41 5.42 -41 -4 0 0.90 3.74 -42 4 0 6.37 4.80 42 4 0 10.82 6.35 -43 4 0 3.80 4.76 43 4 0 6.91 6.24 -44 4 0 5.68 4.88 44 4 0 -2.82 5.94 45 4 0 8.15 6.69 0 5 0 1.31 1.95 0 5 0 1.80 1.04 -1 5 0 572.37 23.36 1 5 0 595.04 22.58 1 -5 0 568.77 23.31 1 5 0 592.99 23.39 -1 5 0 572.64 22.64 2 -5 0 5.18 2.48 -2 5 0 1.71 2.02 2 5 0 2.58 0.94 2 5 0 2.01 2.10 -2 5 0 3.15 1.24 3 -5 0 224.05 9.77 -3 5 0 239.53 9.05 3 5 0 214.12 8.74 -3 5 0 216.05 9.67 -4 5 0 -0.14 1.99 4 -5 0 4.59 2.53 -4 -5 0 3.15 2.45 -4 5 0 4.21 1.30 4 5 0 1.47 0.85 -5 5 0 441.77 16.98 5 -5 0 441.62 17.67 -5 5 0 390.82 17.55 6 -5 0 17.99 2.96 7 -5 0 123.20 6.35 8 -5 0 7.81 2.98 9 -5 0 891.64 37.42 9 5 0 1013.26 37.63 10 5 0 0.83 2.24 10 -5 0 5.18 2.75 11 5 0 701.67 28.22 12 5 0 19.36 3.25 12 5 0 23.55 2.53 12 -5 0 29.48 2.61 -12 -5 0 21.72 1.20 -13 -5 0 30.53 1.58 13 -5 0 33.63 2.88 13 5 0 38.55 3.03 13 5 0 32.46 3.34 14 5 0 11.62 2.53 -14 -5 0 7.65 0.97 14 5 0 5.69 2.75 14 -5 0 5.94 2.28 -15 -5 0 422.95 16.40 15 5 0 412.70 17.77 -16 -5 0 7.45 1.12 16 5 0 5.91 2.69 17 5 0 228.49 10.75 -17 -5 0 234.82 9.35 18 5 0 3.26 2.58 -18 -5 0 1.65 1.07 -19 5 0 30.12 2.92 -19 -5 0 32.71 2.02 19 5 0 31.00 3.51 -20 5 0 -0.17 2.02 -20 -5 0 2.07 1.23 20 5 0 5.70 2.93 21 5 0 6.21 3.14 -21 5 0 10.31 2.46 -21 -5 0 6.45 1.45 -22 -5 0 -0.61 1.42 22 5 0 -0.26 3.14 -22 5 0 -0.36 2.37 23 5 0 55.70 4.75 -23 -5 0 51.77 2.99 -23 5 0 53.45 3.97 24 5 0 -0.28 3.12 -24 -5 0 2.94 1.65 -24 5 0 -1.16 2.26 -25 -5 0 29.47 2.42 25 5 0 31.59 4.19 26 5 0 2.97 3.62 -26 -5 0 5.81 1.91 -27 -5 0 308.73 12.78 27 5 0 309.65 14.56 -28 -5 0 3.44 2.18 28 5 0 5.39 3.94 29 5 0 107.13 7.08 -29 -5 0 106.14 5.42 30 5 0 -0.34 4.15 -30 -5 0 -2.18 2.30 31 5 0 5.57 4.34 -31 -5 0 5.67 2.40 -31 5 0 5.94 3.41 -32 -5 0 -0.42 2.41 32 5 0 -2.15 4.55 -32 5 0 1.79 3.58 33 5 0 8.84 4.53 -33 5 0 14.35 3.94 -33 -5 0 11.31 2.88 -34 5 0 1.38 3.76 34 5 0 3.03 4.54 -34 -5 0 -1.56 2.71 35 5 0 49.39 6.19 -35 -5 0 41.80 3.83 -35 5 0 40.15 4.80 36 5 0 6.79 5.30 -36 -5 0 2.43 3.04 -36 5 0 -1.47 3.80 -37 5 0 8.51 4.37 -37 -5 0 5.27 3.19 -38 5 0 -1.57 4.32 -38 -5 0 -4.18 3.48 -39 5 0 101.25 7.42 39 5 0 96.78 8.41 40 5 0 3.08 5.70 -40 5 0 5.32 4.86 41 5 0 16.66 6.48 -41 5 0 -0.34 4.80 42 5 0 0.46 5.69 -42 5 0 5.61 4.76 -43 5 0 53.92 6.52 43 5 0 67.26 8.01 44 5 0 9.61 6.35 0 6 0 14.37 2.62 0 6 0 14.90 1.44 1 6 0 -3.35 2.24 -1 6 0 1.83 1.25 1 6 0 0.59 1.14 -1 6 0 -0.48 2.19 2 -6 0 932.94 36.98 -2 6 0 977.19 37.12 2 6 0 932.88 36.10 -2 6 0 918.43 36.25 2 6 0 959.32 37.12 3 -6 0 2.85 2.89 3 6 0 6.74 1.16 3 6 0 6.76 2.44 -3 6 0 10.83 1.61 -3 6 0 7.26 2.40 -4 6 0 1853.82 72.09 4 -6 0 1878.24 72.74 -4 6 0 1825.28 72.82 4 6 0 1889.21 71.74 -5 6 0 -0.52 2.43 -5 6 0 1.99 1.53 5 -6 0 4.11 3.04 5 6 0 -0.57 0.89 6 -6 0 621.03 24.83 -6 6 0 608.31 24.11 7 -6 0 -1.81 2.73 -7 6 0 0.82 1.56 8 -6 0 583.11 23.56 -8 6 0 575.19 22.89 -9 6 0 10.99 1.94 9 -6 0 5.14 3.21 10 -6 0 1340.12 52.62 -10 6 0 1339.78 52.06 11 -6 0 -0.36 2.93 -11 6 0 3.25 1.73 11 6 0 -0.20 2.51 -12 6 0 579.68 23.78 12 -6 0 587.15 24.41 12 6 0 638.20 24.60 13 6 0 -0.62 2.36 13 -6 0 -0.38 3.01 -13 6 0 3.60 1.86 -14 6 0 275.31 12.00 14 6 0 298.88 12.79 15 6 0 2.66 2.76 -15 6 0 4.95 2.15 -15 -6 0 -0.99 0.76 -16 6 0 21.75 2.63 16 6 0 19.26 3.10 -16 -6 0 17.27 1.21 -17 -6 0 -0.48 0.92 -17 6 0 4.02 1.95 17 6 0 1.86 2.57 -18 6 0 190.01 8.77 18 6 0 185.21 9.41 -18 -6 0 192.18 7.69 -19 6 0 2.51 2.04 -19 -6 0 0.87 1.06 19 6 0 1.49 2.86 -20 -6 0 0.60 1.13 -20 6 0 3.14 2.30 -21 -6 0 -0.18 1.23 -21 6 0 0.54 2.22 21 6 0 2.66 2.92 22 6 0 79.33 5.53 -22 -6 0 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632.48 25.29 -2 2 4 588.94 25.32 -2 -2 -4 656.50 24.72 -3 2 -4 41.88 3.04 -3 -2 -4 47.34 3.37 3 2 -4 47.63 2.83 3 2 -4 50.31 3.59 -3 2 -4 52.37 2.55 -3 2 4 53.99 3.45 4 -2 -4 26.90 2.87 -4 2 -4 30.83 2.73 4 2 -4 32.05 2.30 -4 -2 -4 20.54 2.51 -4 -2 -4 25.70 2.80 4 2 -4 26.34 2.99 -4 2 4 26.76 2.71 4 2 4 28.19 1.86 -4 2 -4 31.15 1.88 5 2 -4 15.49 2.14 -5 -2 -4 11.94 1.30 5 2 4 15.31 1.45 -5 2 -4 17.06 2.43 -5 -2 -4 11.88 2.27 5 -2 -4 15.59 2.37 5 2 -4 13.98 2.54 -5 2 4 13.32 2.38 6 -2 -4 131.87 5.98 -6 2 -4 113.70 5.87 -6 -2 -4 113.45 5.84 6 2 4 120.43 5.22 -6 -2 -4 134.23 5.20 6 -2 4 107.99 5.95 6 2 4 132.63 6.07 -6 -2 4 128.92 5.90 6 2 -4 118.13 5.89 -6 2 4 115.94 6.08 7 2 -4 12.17 2.48 -7 2 4 14.89 2.33 7 -2 -4 11.20 2.22 -7 2 -4 14.36 2.37 -7 -2 -4 14.46 2.24 -7 -2 -4 21.20 1.58 7 2 4 16.10 2.73 -7 -2 4 14.24 2.20 7 -2 4 12.62 2.65 -8 2 4 0.14 2.14 8 2 -4 1.18 2.29 8 -2 4 1.88 1.32 -8 2 -4 0.89 2.14 -8 -2 -4 0.25 1.96 8 -2 4 0.85 2.56 8 2 4 -4.06 2.46 8 -2 -4 2.45 2.25 -8 -2 4 0.69 1.77 -9 2 4 365.29 14.57 9 2 -4 360.93 14.35 9 2 4 353.12 14.48 -9 2 -4 363.04 14.52 9 -2 4 309.02 14.37 -9 -2 -4 321.26 14.37 -9 -2 4 362.13 14.39 9 -2 4 362.21 13.98 9 -2 -4 342.85 14.41 -10 2 4 121.61 6.64 10 2 4 146.94 6.19 10 2 -4 155.19 6.67 -10 2 -4 148.63 6.83 -10 -2 -4 121.90 6.64 10 -2 4 141.84 6.86 10 2 4 162.49 6.98 -10 -2 4 142.07 6.57 10 -2 -4 145.52 6.76 11 2 -4 222.13 9.11 -11 2 -4 209.88 9.39 11 -2 4 196.17 9.37 11 2 4 218.57 9.48 11 -2 -4 208.18 9.22 -11 -2 -4 196.98 9.26 11 2 4 212.18 8.78 -11 -2 4 213.37 9.17 12 2 4 334.89 14.67 12 2 4 351.23 14.14 12 -2 -4 340.55 14.52 12 -2 4 344.54 14.64 12 2 -4 362.76 14.39 -12 -2 4 359.70 14.44 -13 -2 4 4.26 1.99 13 2 -4 5.43 2.15 13 -2 4 0.74 2.72 13 2 4 3.14 2.85 13 -2 -4 -0.63 2.39 13 2 4 0.37 1.66 14 2 -4 186.79 8.25 14 2 4 190.14 8.76 14 -2 -4 182.79 8.42 14 -2 4 184.60 8.71 14 2 4 191.82 8.13 -14 -2 4 187.39 8.36 15 -2 4 146.46 7.34 15 2 4 147.92 6.70 15 2 -4 144.44 6.79 15 2 4 146.31 7.39 15 -2 -4 146.48 6.98 -15 -2 4 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645.00 25.69 -3 3 -4 669.16 26.01 -3 -3 -4 678.80 25.99 3 3 -4 648.19 26.02 -3 -3 -4 694.42 26.10 -3 3 4 668.34 26.20 3 3 4 637.27 25.71 -4 3 4 24.11 2.79 4 3 4 23.05 2.01 4 3 -4 22.91 2.13 -4 3 -4 26.20 1.99 -4 3 -4 14.74 2.48 -4 -3 -4 18.99 2.48 4 3 -4 20.29 2.85 -4 -3 -4 21.83 2.90 5 3 -4 63.49 3.58 -5 3 -4 68.51 3.85 -5 -3 -4 65.58 3.86 -5 -3 -4 64.82 4.01 5 3 4 63.96 3.29 5 3 -4 59.15 3.83 -5 3 4 57.56 3.81 -5 3 -4 56.49 3.22 -6 3 4 15.37 2.55 6 3 -4 10.87 2.11 -6 3 -4 13.59 2.34 -6 -3 -4 12.93 2.17 -6 -3 -4 2.08 1.82 6 -3 4 15.31 2.67 6 3 4 8.31 1.67 6 3 -4 9.70 2.57 -6 -3 -4 8.87 2.62 -7 3 4 19.79 2.76 -7 -3 -4 17.78 2.06 -7 3 -4 21.66 2.59 -7 -3 -4 21.51 2.47 7 3 -4 20.46 2.44 7 -3 4 20.93 2.83 7 3 4 18.54 2.82 7 -3 4 18.49 1.99 7 3 -4 15.95 2.55 -8 3 4 366.15 14.51 -8 3 -4 331.12 14.26 -8 -3 -4 349.41 14.25 -8 -3 4 344.98 14.18 8 -3 4 353.87 14.32 8 3 4 348.28 14.35 8 -3 4 317.58 13.86 8 3 -4 374.13 14.43 -8 -3 -4 338.79 13.84 8 3 -4 346.63 14.13 -9 3 4 425.51 16.64 9 -3 4 379.66 16.10 -9 -3 4 396.29 16.33 9 -3 -4 396.80 16.37 -9 -3 -4 410.10 16.49 -9 3 -4 395.23 16.49 -9 -3 -4 394.32 16.05 9 -3 4 414.27 16.53 9 3 4 411.46 16.52 9 3 -4 416.00 16.59 9 3 -4 394.91 16.28 10 3 -4 97.73 5.06 -10 3 4 106.94 5.45 10 -3 -4 101.79 5.24 -10 -3 -4 104.59 5.30 10 -3 4 106.26 5.54 10 3 4 104.24 5.48 -10 3 -4 96.27 5.21 -10 -3 4 96.35 5.07 10 3 -4 108.08 5.61 10 -3 4 96.64 4.98 -11 3 4 521.24 22.81 11 3 -4 571.01 22.50 11 -3 -4 552.20 22.71 11 3 4 582.18 22.89 11 -3 4 597.84 22.91 -11 -3 4 553.57 22.60 11 -3 4 583.91 22.54 12 -3 4 18.07 2.67 12 3 -4 13.27 2.40 12 3 4 14.75 2.20 12 -3 -4 14.43 2.59 12 -3 4 26.62 3.30 12 3 4 21.28 3.17 -12 3 4 19.52 2.49 -12 -3 4 21.08 2.46 13 3 4 117.75 5.66 -13 3 4 100.95 5.80 13 3 -4 116.81 5.54 13 -3 4 119.02 6.09 13 3 4 122.85 6.18 13 -3 -4 117.85 5.80 -13 -3 4 111.39 5.57 -14 3 4 40.12 3.29 14 3 4 44.54 3.00 14 -3 4 47.20 3.85 14 3 -4 37.55 3.05 14 -3 -4 46.36 3.45 -14 -3 4 42.74 3.09 14 3 4 41.16 3.81 -15 -3 4 17.42 2.41 15 3 -4 19.07 2.35 15 3 4 18.81 2.32 15 -3 4 24.50 3.35 15 3 4 22.75 3.23 15 -3 -4 16.37 2.66 16 -3 4 114.92 6.04 16 3 -4 107.30 5.38 16 3 4 106.98 5.58 16 -3 -4 109.75 5.72 -16 -3 4 113.37 5.58 16 3 4 118.90 6.22 17 3 4 310.54 13.31 17 -3 4 301.29 13.19 17 3 -4 307.37 12.52 17 3 4 317.06 12.84 17 -3 -4 292.18 12.84 -17 -3 4 291.03 12.74 18 3 4 11.08 2.46 -18 -3 4 13.06 2.55 18 -3 4 17.68 3.42 18 3 4 8.63 3.32 18 3 -4 13.51 2.24 18 -3 -4 13.57 2.73 19 -3 4 211.12 9.63 19 3 4 194.64 9.55 19 3 -4 211.78 8.79 19 -3 -4 199.51 9.08 19 3 4 187.33 9.11 -19 -3 4 206.02 9.09 20 -3 4 302.21 13.01 20 3 4 289.93 13.03 20 3 -4 296.91 12.21 20 -3 -4 286.71 12.55 20 3 4 286.26 12.68 -20 -3 4 294.71 12.52 -21 -3 4 12.18 2.70 -21 3 4 13.39 2.77 21 -3 4 16.46 3.63 21 3 4 13.43 3.45 21 3 4 12.83 2.77 21 3 -4 14.65 2.34 21 -3 -4 16.40 2.94 -22 -3 4 145.31 7.23 -22 3 4 149.64 7.59 -22 -3 -4 142.52 7.82 -22 3 -4 144.14 7.89 22 3 4 148.89 7.92 22 3 4 151.04 7.52 22 3 -4 161.10 6.97 22 -3 4 148.40 7.85 -23 -3 4 54.01 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22.94 5.29 33 3 4 26.95 5.01 -33 -3 -4 19.96 5.07 -34 3 4 15.88 4.65 34 3 4 10.87 5.04 -34 -3 4 16.01 3.83 -34 -3 -4 14.57 5.06 -34 3 -4 17.70 5.10 -35 -3 -4 17.25 5.46 -35 -3 4 23.02 4.13 -35 3 4 23.42 4.69 35 3 4 29.01 5.40 -35 3 -4 14.37 4.84 -36 -3 4 76.59 5.88 -36 -3 -4 77.20 7.16 -36 3 -4 79.61 7.07 -36 3 4 73.25 6.26 36 3 4 78.44 7.23 -37 -3 -4 -1.47 5.08 37 3 4 5.47 5.10 -37 -3 4 5.63 3.91 -37 3 4 14.35 4.68 -37 3 -4 1.54 4.91 38 3 4 22.24 5.98 -38 -3 -4 16.58 5.72 -38 3 4 17.42 4.94 -38 -3 4 25.36 4.54 -38 3 -4 16.65 5.80 -39 3 4 45.77 5.67 -39 -3 -4 36.15 6.25 -39 3 -4 34.71 6.50 -39 -3 4 39.43 5.01 39 3 4 43.93 6.62 -40 -3 -4 5.91 5.50 -40 -3 4 12.41 4.42 -40 3 4 14.49 5.11 -40 3 -4 12.36 6.26 40 3 4 8.42 6.06 -41 -3 -4 3.24 5.72 -41 3 -4 -8.46 6.28 -41 3 4 1.45 4.88 -41 -3 4 3.20 4.59 -42 -3 -4 3.30 5.82 -42 3 4 14.13 5.48 -42 -3 4 18.36 4.94 -42 3 -4 9.92 6.18 -43 3 4 24.71 5.90 -44 3 4 24.52 6.07 0 -4 -4 -1.48 2.31 0 -4 -4 -0.31 1.78 0 -4 4 1.29 2.28 0 4 4 0.14 2.18 -1 -4 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-2 -14 29.22 5.91 -11 2 -14 106.76 8.58 -11 -2 -14 125.47 8.76 -12 2 -14 7.54 5.30 -12 -2 -14 3.70 5.13 -13 2 -14 3.37 5.44 -13 -2 -14 7.03 5.37 -14 2 -14 14.35 5.64 -14 -2 -14 15.33 5.58 -15 2 -14 8.91 5.44 -15 -2 -14 11.62 5.49 -16 2 -14 5.15 5.47 -16 -2 -14 18.97 6.15 -17 2 -14 0.43 5.51 -17 -2 -14 3.84 5.80 -18 2 -14 2.62 5.61 -18 -2 -14 5.58 5.71 0 3 -14 2.41 5.18 0 -3 -14 0.38 5.25 -1 3 -14 1.60 5.02 -1 -3 -14 7.71 5.24 1 3 -14 -0.40 5.05 1 -3 -14 1.16 5.11 -2 3 -14 43.78 6.18 -2 -3 -14 41.78 6.13 2 3 -14 29.85 5.98 2 -3 -14 56.36 6.23 -3 3 -14 4.77 5.04 -3 -3 -14 -2.31 5.20 3 3 -14 -2.46 5.44 3 -3 -14 4.29 5.01 -4 3 -14 22.85 5.43 -4 -3 -14 33.32 5.77 -5 3 -14 21.68 5.59 -5 -3 -14 26.34 5.48 -6 3 -14 1.21 5.22 -6 -3 -14 -1.17 5.26 -7 3 -14 4.09 5.23 -7 -3 -14 -2.38 5.33 -8 3 -14 25.40 5.74 -8 -3 -14 27.44 5.90 -9 3 -14 52.29 6.51 -9 -3 -14 40.41 6.19 -10 3 -14 26.55 5.96 -10 -3 -14 25.81 5.90 -11 3 -14 12.48 5.33 -11 -3 -14 10.93 5.65 -12 3 -14 4.62 5.28 -12 -3 -14 14.70 5.48 -13 3 -14 15.15 5.68 -13 -3 -14 6.99 5.40 -14 3 -14 3.37 5.43 -14 -3 -14 2.47 5.31 -15 3 -14 9.80 5.77 -15 -3 -14 13.67 5.77 -16 3 -14 55.59 7.22 -16 -3 -14 77.94 7.56 -17 3 -14 1.74 5.59 -17 -3 -14 5.08 5.68 -18 -3 -14 7.67 5.83 0 4 -14 -4.00 5.15 0 -4 -14 -4.95 5.34 -1 4 -14 6.80 5.28 -1 -4 -14 20.21 5.41 1 4 -14 8.41 5.22 1 -4 -14 3.04 5.03 -2 4 -14 27.20 5.63 -2 -4 -14 34.86 5.79 2 4 -14 15.41 5.64 2 -4 -14 23.53 5.72 -3 4 -14 37.62 6.19 -3 -4 -14 61.89 6.62 3 4 -14 44.25 6.58 3 -4 -14 56.40 6.40 -4 4 -14 -2.72 5.06 -4 -4 -14 2.23 4.90 4 4 -14 -4.10 5.29 -5 4 -14 2.79 5.19 -5 -4 -14 -1.14 5.21 -6 4 -14 -0.41 5.23 -6 -4 -14 -5.84 5.38 -7 4 -14 41.63 6.32 -7 -4 -14 45.19 6.40 -8 4 -14 1.64 5.06 -8 -4 -14 2.37 5.30 -9 4 -14 2.47 5.21 -9 -4 -14 -1.59 5.31 -10 4 -14 1.66 5.44 -10 -4 -14 10.80 5.59 -11 4 -14 4.99 5.38 -11 -4 -14 2.81 5.39 -12 4 -14 -1.26 5.30 -12 -4 -14 4.47 5.51 -13 4 -14 2.94 5.44 -13 -4 -14 3.65 5.27 -14 4 -14 0.84 5.32 -14 -4 -14 4.47 5.14 -15 4 -14 2.13 5.54 -15 -4 -14 4.12 5.40 -16 4 -14 9.93 5.58 -16 -4 -14 3.34 5.62 -17 4 -14 4.35 5.80 -17 -4 -14 1.26 5.61 0 5 -14 57.00 6.87 0 -5 -14 52.71 6.33 -1 5 -14 5.99 5.39 -1 -5 -14 2.27 5.13 1 5 -14 7.58 5.45 1 -5 -14 10.51 5.40 -2 5 -14 10.67 5.67 -2 -5 -14 19.58 5.59 2 5 -14 28.36 6.08 2 -5 -14 19.71 5.43 -3 5 -14 1.54 5.20 -3 -5 -14 -0.37 5.09 3 5 -14 -0.41 5.46 3 -5 -14 -0.76 5.31 -4 5 -14 -3.16 5.42 -4 -5 -14 -7.09 5.27 4 5 -14 -4.09 5.70 4 -5 -14 4.57 5.25 -5 5 -14 -3.22 5.50 -5 -5 -14 -3.44 5.17 -6 5 -14 9.75 5.45 -6 -5 -14 16.30 5.62 -7 5 -14 6.50 5.52 -7 -5 -14 14.02 5.69 -8 5 -14 15.93 5.96 -8 -5 -14 12.91 5.39 -9 5 -14 21.81 5.94 -9 -5 -14 21.27 5.73 -10 5 -14 7.02 5.62 -10 -5 -14 6.33 5.35 -11 5 -14 6.67 5.39 -11 -5 -14 -3.59 5.29 -12 5 -14 3.76 5.36 -12 -5 -14 22.11 5.97 -13 5 -14 -5.85 5.59 -13 -5 -14 4.02 5.23 -14 5 -14 8.03 5.73 -14 -5 -14 4.86 5.49 -15 5 -14 2.14 5.47 -15 -5 -14 0.82 5.74 -16 5 -14 -4.74 5.89 -16 -5 -14 0.41 5.72 -17 -5 -14 4.17 5.63 0 6 -14 -4.76 5.30 0 -6 -14 -4.47 5.20 -1 6 -14 1.58 5.33 -1 -6 -14 -2.61 5.11 1 6 -14 2.38 5.16 1 -6 -14 -4.09 5.32 -2 6 -14 -2.29 4.99 -2 -6 -14 6.96 4.93 2 6 -14 -0.40 5.25 2 -6 -14 -0.37 5.08 -3 6 -14 4.28 5.17 -3 -6 -14 0.36 4.81 3 6 -14 -2.40 5.06 3 -6 -14 6.37 5.34 -4 6 -14 21.85 5.81 -4 -6 -14 16.11 5.42 4 6 -14 27.59 6.07 4 -6 -14 11.71 5.50 -5 6 -14 2.82 5.47 -5 -6 -14 13.04 5.41 5 6 -14 3.66 5.26 5 -6 -14 3.77 5.31 -6 6 -14 8.46 5.34 -6 -6 -14 12.29 5.46 -7 6 -14 2.83 5.18 -7 -6 -14 5.78 5.26 -8 6 -14 8.96 5.41 -8 -6 -14 6.60 5.20 -9 6 -14 13.48 5.57 -9 -6 -14 23.84 5.82 -10 6 -14 3.71 5.63 -10 -6 -14 0.39 5.25 -11 6 -14 16.59 5.76 -11 -6 -14 15.48 5.61 -12 6 -14 6.64 5.62 -12 -6 -14 10.70 5.72 -13 6 -14 2.50 5.45 -13 -6 -14 3.97 5.40 -14 6 -14 4.64 5.56 -14 -6 -14 0.81 5.34 -15 6 -14 -3.41 5.64 -15 -6 -14 0.41 5.69 -16 -6 -14 2.87 5.65 0 7 -14 -1.56 5.32 0 -7 -14 2.96 5.31 -1 7 -14 7.20 5.27 -1 -7 -14 -2.57 5.40 1 7 -14 1.18 5.19 1 -7 -14 6.26 5.37 -2 7 -14 0.77 5.09 -2 -7 -14 2.15 4.95 2 7 -14 5.51 5.23 2 -7 -14 -1.10 5.34 -3 7 -14 -2.74 5.61 -3 -7 -14 -5.15 5.23 3 7 -14 -0.79 5.19 3 -7 -14 3.67 5.30 -4 7 -14 10.79 5.80 -4 -7 -14 3.38 5.27 4 7 -14 1.59 5.47 4 -7 -14 7.82 5.37 -5 7 -14 51.12 6.83 -5 -7 -14 50.75 6.73 5 7 -14 45.55 6.64 5 -7 -14 44.79 6.45 -6 7 -14 14.42 5.93 -6 -7 -14 9.12 5.43 6 7 -14 9.31 5.45 6 -7 -14 14.56 5.52 -7 7 -14 26.99 5.90 -7 -7 -14 32.11 6.13 -8 7 -14 9.70 5.59 -8 -7 -14 14.62 5.57 -9 7 -14 -3.26 5.37 -9 -7 -14 -0.77 5.42 -10 7 -14 10.24 5.56 -10 -7 -14 9.37 5.41 -11 7 -14 0.41 5.37 -11 -7 -14 3.12 5.51 -12 7 -14 6.16 5.76 -12 -7 -14 25.34 5.92 -13 7 -14 6.67 5.68 -13 -7 -14 6.73 5.65 -14 7 -14 0.42 5.78 -14 -7 -14 8.01 5.70 -15 -7 -14 0.81 5.61 -16 -7 -14 10.57 6.02 0 8 -14 46.12 6.31 0 -8 -14 32.98 6.13 -1 8 -14 14.49 5.42 -1 -8 -14 18.08 5.49 1 8 -14 19.35 6.12 1 -8 -14 14.27 5.59 -2 8 -14 -3.50 5.60 -2 -8 -14 11.25 5.44 2 8 -14 -1.17 5.60 2 -8 -14 -1.82 5.49 -3 8 -14 28.86 6.33 -3 -8 -14 27.41 5.84 3 8 -14 21.45 5.72 3 -8 -14 20.77 5.73 -4 8 -14 3.16 5.56 -4 -8 -14 -3.73 5.44 4 8 -14 -1.56 5.42 4 -8 -14 -4.00 5.16 -5 8 -14 -0.40 5.80 -5 -8 -14 2.25 5.20 5 8 -14 -1.18 5.71 5 -8 -14 -0.37 5.53 -6 8 -14 4.38 5.62 -6 -8 -14 -0.75 5.51 6 8 -14 1.20 5.65 6 -8 -14 0.37 5.19 -7 8 -14 18.36 5.88 -7 -8 -14 7.58 5.59 7 8 -14 8.03 5.84 7 -8 -14 9.63 5.33 -8 8 -14 28.96 6.22 -8 -8 -14 36.89 6.44 -9 8 -14 8.49 5.58 -9 -8 -14 17.66 5.83 -10 8 -14 -4.86 5.91 -10 -8 -14 11.53 5.83 -11 8 -14 -7.69 5.73 -11 -8 -14 10.39 5.59 -12 8 -14 16.03 5.81 -12 -8 -14 6.22 5.53 -13 8 -14 7.48 5.95 -13 -8 -14 10.22 5.99 -14 -8 -14 3.96 5.71 -15 -8 -14 2.79 5.55 0 9 -14 9.04 5.59 0 -9 -14 1.75 5.06 -1 9 -14 7.31 5.61 -1 -9 -14 9.68 5.47 1 9 -14 -2.60 5.11 1 -9 -14 14.52 5.46 -2 9 -14 2.73 5.45 -2 -9 -14 1.46 5.26 2 9 -14 -3.81 5.13 2 -9 -14 -0.72 5.02 -3 9 -14 4.28 5.37 -3 -9 -14 5.16 5.47 3 9 -14 6.18 5.52 3 -9 -14 6.87 5.24 -4 9 -14 5.08 5.45 -4 -9 -14 -2.58 5.04 4 9 -14 -9.65 5.66 4 -9 -14 1.44 5.09 -5 9 -14 12.18 5.83 -5 -9 -14 8.53 5.53 5 9 -14 2.71 5.34 5 -9 -14 -2.52 5.17 -6 9 -14 11.42 5.71 -6 -9 -14 14.53 5.28 6 9 -14 12.79 5.83 6 -9 -14 4.02 5.06 -7 9 -14 9.91 6.09 -7 -9 -14 8.97 5.34 7 9 -14 0.79 5.67 7 -9 -14 1.84 5.36 -8 9 -14 9.97 5.78 -8 -9 -14 11.70 5.52 8 9 -14 -0.80 5.35 8 -9 -14 2.95 5.27 -9 9 -14 5.58 5.91 -9 -9 -14 4.52 5.38 9 9 -14 5.98 5.55 -10 9 -14 -3.61 5.47 -10 -9 -14 0.38 5.39 -11 9 -14 -1.21 5.60 -11 -9 -14 7.25 5.72 -12 9 -14 2.04 5.73 -12 -9 -14 10.79 5.98 -13 -9 -14 -1.55 5.78 0 -10 -14 39.17 5.97 -1 -10 -14 6.55 5.21 1 -10 -14 -1.04 4.63 -2 -10 -14 13.79 5.50 2 -10 -14 1.75 4.78 -3 -10 -14 63.20 6.37 3 -10 -14 40.63 5.87 -4 -10 -14 10.58 5.16 4 -10 -14 -7.18 4.96 -5 -10 -14 9.50 5.25 5 -10 -14 -2.51 5.13 -6 -10 -14 26.11 5.78 6 -10 -14 -6.09 5.31 -7 -10 -14 23.99 5.81 7 -10 -14 1.44 4.80 -8 -10 -14 5.90 5.71 8 -10 -14 -7.34 5.55 -9 -10 -14 10.68 5.85 9 -10 -14 -7.33 5.55 -10 -10 -14 34.73 6.38 -11 -10 -14 8.67 6.08 -12 -10 -14 19.33 6.28 0 0 -15 4.73 5.60 -1 0 -15 -0.43 5.17 1 0 -15 0.43 5.36 -2 0 -15 -1.72 5.15 2 0 -15 -1.74 5.24 -3 0 -15 0.43 5.29 3 0 -15 -2.20 5.39 -4 0 -15 11.24 5.70 4 0 -15 -3.95 5.41 -5 0 -15 1.28 5.35 -6 0 -15 3.91 5.44 -7 0 -15 -2.19 5.34 -8 0 -15 1.75 5.50 -9 0 -15 3.96 5.44 -10 0 -15 -2.65 5.57 0 1 -15 3.03 5.43 -1 1 -15 15.14 5.70 1 1 -15 12.99 5.53 -2 1 -15 -0.43 5.45 2 1 -15 2.19 5.68 -3 1 -15 5.50 5.24 3 1 -15 5.76 5.29 -4 1 -15 3.77 5.34 4 1 -15 -0.44 5.51 -5 1 -15 -0.43 5.29 -6 1 -15 11.77 5.67 -7 1 -15 4.83 5.60 -8 1 -15 -0.44 5.36 -9 1 -15 8.83 5.74 -10 1 -15 15.55 5.86 0 2 -15 -2.61 5.46 0 -2 -15 -1.69 5.33 -1 2 -15 -6.96 5.77 -1 -2 -15 -10.99 5.58 1 2 -15 -1.31 5.53 1 -2 -15 -2.11 5.42 -2 2 -15 3.46 5.40 -2 -2 -15 -0.84 5.31 2 2 -15 1.31 5.53 2 -2 -15 -3.39 5.49 -3 2 -15 24.62 6.01 -3 -2 -15 33.50 6.02 3 2 -15 29.80 6.40 3 -2 -15 44.73 6.73 -4 2 -15 3.78 5.27 -4 -2 -15 4.50 5.31 4 2 -15 9.82 5.87 4 -2 -15 7.72 5.71 -5 2 -15 8.63 5.96 -5 -2 -15 6.28 5.47 -6 2 -15 10.14 5.65 -6 -2 -15 3.85 5.35 -7 2 -15 0.88 5.60 -7 -2 -15 -0.43 5.69 -8 2 -15 22.48 6.15 -8 -2 -15 6.04 5.52 -9 2 -15 -0.89 5.51 -9 -2 -15 6.07 5.69 0 3 -15 6.09 5.70 0 -3 -15 6.25 5.41 -1 3 -15 -2.61 5.43 -1 -3 -15 -7.10 5.64 1 3 -15 0.44 5.48 1 -3 -15 2.92 5.35 -2 3 -15 2.15 5.24 -2 -3 -15 1.25 5.29 2 3 -15 -2.62 5.79 2 -3 -15 2.51 5.64 -3 3 -15 -0.42 5.24 -3 -3 -15 -0.40 5.04 3 3 -15 -3.55 5.51 3 -3 -15 -5.08 5.68 -4 3 -15 20.43 5.67 -4 -3 -15 10.13 5.43 4 3 -15 16.55 5.80 4 -3 -15 14.44 5.82 -5 3 -15 1.30 5.50 -5 -3 -15 5.84 5.41 5 3 -15 -4.48 5.63 5 -3 -15 0.43 5.46 -6 3 -15 3.53 5.62 -6 -3 -15 -2.13 5.58 -7 3 -15 21.58 5.93 -7 -3 -15 20.05 6.08 -8 3 -15 9.71 5.89 -8 -3 -15 11.97 6.14 -9 3 -15 7.10 5.86 -9 -3 -15 1.29 5.78 0 4 -15 5.65 5.64 0 -4 -15 -1.24 5.55 -1 4 -15 3.90 5.70 -1 -4 -15 -4.54 5.68 1 4 -15 -1.74 5.53 1 -4 -15 1.23 5.36 -2 4 -15 16.54 5.92 -2 -4 -15 8.18 5.40 2 4 -15 -1.74 5.64 2 -4 -15 2.46 5.44 -3 4 -15 0.42 5.21 -3 -4 -15 7.20 5.61 3 4 -15 1.32 5.53 3 -4 -15 -1.66 5.67 -4 4 -15 26.11 6.10 -4 -4 -15 10.24 5.77 4 4 -15 16.51 6.13 4 -4 -15 5.87 5.76 -5 4 -15 3.49 5.47 -5 -4 -15 -6.23 5.75 5 4 -15 7.17 5.70 5 -4 -15 -5.02 5.79 -6 4 -15 0.44 5.69 -6 -4 -15 -2.53 5.65 -7 4 -15 2.20 5.69 -7 -4 -15 3.80 5.99 -8 4 -15 11.90 5.99 -8 -4 -15 5.51 5.75 0 5 -15 3.46 5.83 0 -5 -15 -3.67 5.52 -1 5 -15 5.13 5.86 -1 -5 -15 10.54 5.71 1 5 -15 1.30 5.78 1 -5 -15 2.44 5.37 -2 5 -15 11.26 5.70 -2 -5 -15 8.26 5.27 2 5 -15 10.41 5.69 2 -5 -15 8.93 5.53 -3 5 -15 -3.38 5.60 -3 -5 -15 -2.77 5.28 3 5 -15 -3.04 5.73 3 -5 -15 -2.44 5.49 -4 5 -15 4.31 5.76 -4 -5 -15 5.29 5.57 4 5 -15 -1.76 5.72 4 -5 -15 0.41 5.54 -5 5 -15 29.71 6.66 -5 -5 -15 30.41 6.35 5 5 -15 31.19 6.69 5 -5 -15 21.91 6.04 -6 5 -15 10.49 6.20 -6 -5 -15 1.67 5.76 6 5 -15 1.34 5.74 6 -5 -15 6.20 5.55 -7 -5 -15 7.10 5.85 0 6 -15 -2.56 5.70 0 -6 -15 -4.02 5.60 -1 6 -15 11.98 5.60 -1 -6 -15 7.09 5.50 1 6 -15 9.90 5.97 1 -6 -15 3.21 5.65 -2 6 -15 1.26 5.42 -2 -6 -15 1.56 5.46 2 6 -15 -1.72 5.74 2 -6 -15 -5.62 5.73 -3 6 -15 -0.43 5.73 -3 -6 -15 -0.40 5.64 3 6 -15 -6.90 5.85 3 -6 -15 0.40 5.52 -4 -6 -15 3.26 5.78 4 -6 -15 1.21 5.54 -5 -6 -15 33.28 6.60 5 -6 -15 22.85 6.15 -6 -6 -15 25.94 6.48 0 -7 -15 -2.36 5.62 -1 -7 -15 0.77 5.26 1 -7 -15 -2.78 5.54 -2 -7 -15 9.07 5.67 -3 -7 -15 28.00 6.28 0 0 0 0.00 0.00 TITL tetra_CS2_MeTHF_2 in Pccm REM Pccm (#49, found as Pmaa in -cba setting) CELL 0.71073 37.631990 14.889072 13.021948 90.0000 90.0000 90.0000 ZERR 8.00 0.000980 0.000412 0.000426 0.0000 0.0000 0.0000 LATT 1 SYMM -x,-y, z SYMM -x, y,-z+1/2 SYMM x,-y,-z+1/2 SFAC C H N O F UNIT 336.00 272.00 8.00 8.00 72.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 68857 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.277 _oxdiff_exptl_absorpt_empirical_full_min 0.666 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y+1/2, z' '-x, y+1/2, -z+1/2' 'x+1/2, -y, -z+1/2' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'x, -y-1/2, z-1/2' '-x-1/2, y, z-1/2' 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 F001 F 0.66242(5) -0.09413(11) 0.40290(15) 0.0380(5) Uani 1 1 d . . . . . F002 F 0.69711(5) -0.03586(13) 0.29135(15) 0.0450(5) Uani 1 1 d . . . . . F003 F 0.70961(5) -0.02715(13) 0.45184(17) 0.0478(6) Uani 1 1 d . . . . . O004 O 0.64620(5) 0.42268(14) 0.21737(15) 0.0282(5) Uani 1 1 d . . . . . F005 F 0.51745(6) 0.46118(17) -0.14645(15) 0.0555(6) Uani 1 1 d . . . . . F006 F 0.57278(6) 0.45561(19) -0.16593(16) 0.0669(8) Uani 1 1 d . . . . . F007 F 0.54709(8) 0.57987(15) -0.12983(17) 0.0745(8) Uani 1 1 d . . . . . N008 N 0.67926(6) 0.41611(15) 0.36141(17) 0.0178(5) Uani 1 1 d . . . . . C009 C 0.61327(7) 0.52907(18) 0.5162(2) 0.0172(6) Uani 1 1 d . . . . . C00A C 0.62415(7) 0.22259(17) 0.4131(2) 0.0165(6) Uani 1 1 d . . . . . C00B C 0.63020(7) 0.16741(18) 0.4970(2) 0.0183(6) Uani 1 1 d . . . . . H00B H 0.621018 0.184028 0.562276 0.022 Uiso 1 1 calc R U . . . C00C C 0.64781(7) 0.41381(17) 0.3116(2) 0.0170(6) Uani 1 1 d . . . . . C00D C 0.59806(7) 0.44874(17) 0.4655(2) 0.0161(6) Uani 1 1 d . . . . . C00E C 0.60251(7) 0.30549(17) 0.4191(2) 0.0165(6) Uani 1 1 d . . . . . C00F C 0.58768(7) 0.35640(17) 0.5155(2) 0.0175(6) Uani 1 1 d . . . . . H00F H 0.592322 0.339199 0.588500 0.021 Uiso 1 1 calc R U . . . C00G C 0.56069(7) 0.45302(18) 0.4126(2) 0.0169(6) Uani 1 1 d . . . . . H00G H 0.545191 0.507544 0.410575 0.020 Uiso 1 1 calc R U . . . C00H C 0.62833(7) 0.59797(18) 0.4580(2) 0.0205(6) Uani 1 1 d . . . . . H00H H 0.629778 0.591798 0.385505 0.025 Uiso 1 1 calc R U . . . C00I C 0.56682(7) 0.42838(18) 0.2070(2) 0.0185(6) Uani 1 1 d . . . . . C00J C 0.64941(7) 0.08845(18) 0.4875(2) 0.0199(6) Uani 1 1 d . . . . . H00J H 0.653402 0.051389 0.545762 0.024 Uiso 1 1 calc R U . . . C00K C 0.57506(7) 0.40253(18) 0.3154(2) 0.0178(6) Uani 1 1 d . . . . . C00L C 0.61095(8) 0.54018(19) 0.6220(2) 0.0226(6) Uani 1 1 d . . . . . H00L H 0.600442 0.494365 0.662683 0.027 Uiso 1 1 calc R U . . . C00M C 0.56496(7) 0.31161(18) 0.3667(2) 0.0182(6) Uani 1 1 d . . . . . H00M H 0.552855 0.260752 0.330799 0.022 Uiso 1 1 calc R U . . . C00N C 0.66274(7) 0.06401(18) 0.3925(2) 0.0196(6) Uani 1 1 d . . . . . C00O C 0.55001(7) 0.36090(18) 0.4640(2) 0.0189(6) Uani 1 1 d . . . . . C00P C 0.61338(7) 0.39848(17) 0.3682(2) 0.0159(6) Uani 1 1 d . . . . . C00Q C 0.57732(7) 0.51131(19) 0.1675(2) 0.0231(6) Uani 1 1 d . . . . . H00Q H 0.589212 0.553021 0.210683 0.028 Uiso 1 1 calc R U . . . C00R C 0.63895(8) 0.68416(19) 0.6102(2) 0.0234(6) Uani 1 1 d . . . . . C00S C 0.54836(7) 0.37055(19) 0.1435(2) 0.0228(6) Uani 1 1 d . . . . . H00S H 0.540477 0.314459 0.169795 0.027 Uiso 1 1 calc R U . . . C00T C 0.54110(8) 0.3927(2) 0.0420(2) 0.0249(7) Uani 1 1 d . . . . . H00T H 0.528161 0.352329 -0.000318 0.030 Uiso 1 1 calc R U . . . C00U C 0.64116(7) 0.67495(19) 0.5041(2) 0.0234(6) Uani 1 1 d . . . . . H00U H 0.651426 0.721275 0.463646 0.028 Uiso 1 1 calc R U . . . C00V C 0.65707(7) 0.11788(19) 0.3071(2) 0.0226(6) Uani 1 1 d . . . . . H00V H 0.666244 0.100845 0.242026 0.027 Uiso 1 1 calc R U . . . C00W C 0.51580(7) 0.34191(18) 0.5164(2) 0.0232(6) Uani 1 1 d . . . . . F00X F 0.6546(3) 0.8375(5) 0.6034(6) 0.068(3) Uani 0.468(13) 1 d D U P A 1 C00Y C 0.63796(7) 0.19646(18) 0.3178(2) 0.0212(6) Uani 1 1 d . . . . . H00Y H 0.634097 0.233478 0.259399 0.025 Uiso 1 1 calc R U . . . C00Z C 0.68389(7) 0.39429(19) 0.4714(2) 0.0203(6) Uani 1 1 d . . . . . H00Z H 0.659788 0.383817 0.501520 0.024 Uiso 1 1 calc R U . . . C010 C 0.55273(7) 0.47358(19) 0.0029(2) 0.0229(6) Uani 1 1 d . . . . . C011 C 0.68288(8) -0.0224(2) 0.3842(2) 0.0261(7) Uani 1 1 d . . . . . C012 C 0.57065(8) 0.5336(2) 0.0663(2) 0.0250(7) Uani 1 1 d . . . . . H012 H 0.578305 0.589833 0.039951 0.030 Uiso 1 1 calc R U . . . C013 C 0.62372(8) 0.6169(2) 0.6687(2) 0.0266(7) Uani 1 1 d . . . . . H013 H 0.622035 0.623471 0.741067 0.032 Uiso 1 1 calc R U . . . C014 C 0.51219(8) 0.3522(2) 0.6220(2) 0.0277(7) Uani 1 1 d . . . . . H014 H 0.531618 0.374243 0.661183 0.033 Uiso 1 1 calc R U . . . C015 C 0.54790(8) 0.4934(2) -0.1080(2) 0.0298(7) Uani 1 1 d . . . . . C016 C 0.70127(8) 0.4710(2) 0.5309(2) 0.0276(7) Uani 1 1 d . . . . . H01A H 0.725940 0.478040 0.508118 0.041 Uiso 1 1 calc R U . . . H01B H 0.700852 0.457275 0.604467 0.041 Uiso 1 1 calc R U . . . H01C H 0.688197 0.526780 0.518153 0.041 Uiso 1 1 calc R U . . . C017 C 0.71232(7) 0.4340(2) 0.3020(2) 0.0249(7) Uani 1 1 d . . . . . H017 H 0.732323 0.432988 0.352504 0.030 Uiso 1 1 calc R U . . . C018 C 0.48645(8) 0.3124(2) 0.4602(3) 0.0309(7) Uani 1 1 d . . . . . H018 H 0.488153 0.306503 0.387700 0.037 Uiso 1 1 calc R U . . . C019 C 0.70562(8) 0.3081(2) 0.4855(2) 0.0285(7) Uani 1 1 d . . . . . H01D H 0.695431 0.260220 0.443073 0.043 Uiso 1 1 calc R U . . . H01E H 0.705084 0.290043 0.557800 0.043 Uiso 1 1 calc R U . . . H01F H 0.730256 0.319003 0.464447 0.043 Uiso 1 1 calc R U . . . C01A C 0.71210(8) 0.5274(2) 0.2549(3) 0.0334(8) Uani 1 1 d . . . . . H01G H 0.692995 0.531467 0.203961 0.050 Uiso 1 1 calc R U . . . H01H H 0.734986 0.538853 0.221470 0.050 Uiso 1 1 calc R U . . . H01I H 0.708169 0.572166 0.308914 0.050 Uiso 1 1 calc R U . . . C01B C 0.48049(8) 0.3305(2) 0.6710(3) 0.0340(8) Uani 1 1 d . . . . . H01J H 0.478506 0.337089 0.743322 0.041 Uiso 1 1 calc R U . . . C01C C 0.65359(8) 0.76578(19) 0.6600(2) 0.0356(8) Uani 1 1 d D . . . . C01D C 0.45187(9) 0.2995(2) 0.6148(3) 0.0385(9) Uani 1 1 d . . . . . H01K H 0.430326 0.283677 0.648227 0.046 Uiso 1 1 calc R U . . . C01E C 0.72013(8) 0.3606(2) 0.2236(3) 0.0354(8) Uani 1 1 d . . . . . H01L H 0.718519 0.301687 0.256937 0.053 Uiso 1 1 calc R U . . . H01M H 0.744112 0.368882 0.195863 0.053 Uiso 1 1 calc R U . . . H01N H 0.702773 0.363863 0.167614 0.053 Uiso 1 1 calc R U . . . C01F C 0.45494(8) 0.2917(2) 0.5092(3) 0.0389(9) Uani 1 1 d . . . . . H01O H 0.435145 0.271874 0.470056 0.047 Uiso 1 1 calc R U . . . F01G F 0.6318(3) 0.7911(6) 0.7394(7) 0.077(3) Uani 0.468(13) 1 d D U P A 1 F01H F 0.6837(2) 0.7525(5) 0.7070(11) 0.086(4) Uani 0.468(13) 1 d D U P A 1 F1 F 0.6382(2) 0.8397(4) 0.6268(7) 0.067(2) Uani 0.532(13) 1 d D U P A 2 F00Y F 0.68799(13) 0.7807(5) 0.6317(9) 0.081(3) Uani 0.532(13) 1 d D U P A 2 F01I F 0.6537(4) 0.7672(5) 0.7593(3) 0.080(3) Uani 0.532(13) 1 d D U P A 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 F001 0.0461(11) 0.0200(9) 0.0480(12) 0.0037(8) 0.0022(9) 0.0014(8) F002 0.0575(13) 0.0390(11) 0.0386(12) 0.0028(9) 0.0218(10) 0.0227(10) F003 0.0390(11) 0.0474(12) 0.0571(14) -0.0096(10) -0.0200(10) 0.0198(9) O004 0.0212(10) 0.0463(13) 0.0169(11) 0.0033(9) 0.0008(9) -0.0013(9) F005 0.0456(12) 0.0951(18) 0.0257(11) 0.0036(11) -0.0131(9) -0.0035(12) F006 0.0513(13) 0.124(2) 0.0251(11) 0.0160(12) 0.0128(10) 0.0462(14) F007 0.144(3) 0.0419(14) 0.0377(13) 0.0161(10) -0.0296(15) -0.0026(14) N008 0.0155(11) 0.0213(12) 0.0166(12) 0.0026(10) 0.0016(9) 0.0007(9) C009 0.0138(12) 0.0208(14) 0.0169(14) -0.0012(11) 0.0007(11) 0.0043(11) C00A 0.0139(12) 0.0150(14) 0.0207(15) -0.0009(11) -0.0011(11) -0.0005(10) C00B 0.0165(13) 0.0218(15) 0.0165(14) 0.0008(11) 0.0011(11) 0.0008(11) C00C 0.0187(13) 0.0136(14) 0.0186(15) -0.0003(11) 0.0020(12) -0.0004(11) C00D 0.0166(13) 0.0182(14) 0.0136(13) 0.0003(11) 0.0010(11) -0.0005(11) C00E 0.0176(13) 0.0162(14) 0.0157(14) -0.0004(11) 0.0018(11) -0.0004(11) C00F 0.0177(13) 0.0174(14) 0.0174(14) 0.0011(11) 0.0034(11) 0.0004(11) C00G 0.0166(12) 0.0147(14) 0.0194(14) 0.0008(11) 0.0000(11) 0.0005(11) C00H 0.0225(14) 0.0220(15) 0.0169(14) -0.0019(12) -0.0012(12) 0.0024(12) C00I 0.0180(13) 0.0185(15) 0.0189(15) -0.0003(11) 0.0009(12) 0.0032(11) C00J 0.0226(14) 0.0195(15) 0.0175(14) 0.0039(12) -0.0003(12) 0.0000(12) C00K 0.0148(12) 0.0170(14) 0.0216(15) 0.0010(11) -0.0009(11) -0.0003(10) C00L 0.0266(15) 0.0224(15) 0.0187(15) 0.0014(12) 0.0012(12) -0.0008(13) C00M 0.0180(13) 0.0172(14) 0.0193(15) -0.0002(11) -0.0032(11) -0.0011(11) C00N 0.0155(13) 0.0201(15) 0.0232(15) 0.0000(12) 0.0014(12) -0.0004(11) C00O 0.0188(13) 0.0186(15) 0.0193(15) -0.0007(11) -0.0002(12) 0.0002(11) C00P 0.0169(13) 0.0163(14) 0.0145(14) -0.0006(11) -0.0010(11) 0.0014(11) C00Q 0.0259(14) 0.0209(16) 0.0225(16) -0.0015(12) -0.0039(13) -0.0029(12) C00R 0.0251(15) 0.0205(15) 0.0246(16) -0.0034(12) -0.0046(13) 0.0019(12) C00S 0.0232(14) 0.0205(15) 0.0248(16) -0.0008(12) -0.0018(13) -0.0017(12) C00T 0.0257(15) 0.0303(17) 0.0188(15) -0.0050(13) -0.0048(12) 0.0012(13) C00U 0.0258(15) 0.0199(15) 0.0245(16) 0.0023(12) -0.0014(13) -0.0003(12) C00V 0.0218(14) 0.0233(15) 0.0226(16) -0.0001(12) 0.0045(12) 0.0004(12) C00W 0.0230(14) 0.0169(14) 0.0295(17) 0.0022(12) 0.0026(13) 0.0025(12) F00X 0.127(7) 0.039(4) 0.037(3) 0.006(3) -0.007(4) -0.048(4) C00Y 0.0245(14) 0.0199(15) 0.0192(15) 0.0022(12) 0.0027(12) 0.0014(12) C00Z 0.0170(13) 0.0279(16) 0.0158(14) 0.0036(12) -0.0010(11) 0.0010(12) C010 0.0222(14) 0.0255(16) 0.0211(15) 0.0017(12) 0.0015(12) 0.0089(12) C011 0.0270(15) 0.0241(17) 0.0273(17) -0.0002(13) 0.0006(14) 0.0043(13) C012 0.0266(15) 0.0225(16) 0.0260(17) 0.0075(13) -0.0004(13) -0.0010(13) C013 0.0355(17) 0.0280(17) 0.0163(15) -0.0037(12) -0.0041(13) 0.0045(14) C014 0.0237(15) 0.0280(17) 0.0315(18) 0.0060(13) 0.0028(13) 0.0033(13) C015 0.0294(16) 0.0375(19) 0.0223(17) -0.0010(14) -0.0007(14) 0.0083(14) C016 0.0213(14) 0.0378(18) 0.0238(16) -0.0038(14) -0.0046(13) 0.0006(13) C017 0.0165(13) 0.0327(17) 0.0254(16) 0.0062(13) 0.0019(12) 0.0004(12) C018 0.0235(15) 0.0283(17) 0.041(2) -0.0015(15) 0.0003(14) 0.0009(13) C019 0.0199(14) 0.0315(17) 0.0342(18) 0.0125(14) -0.0039(13) 0.0012(13) C01A 0.0253(15) 0.0357(19) 0.039(2) 0.0129(15) 0.0037(14) -0.0049(14) C01B 0.0343(17) 0.0331(18) 0.0346(19) 0.0118(15) 0.0093(15) 0.0090(15) C01C 0.045(2) 0.0253(18) 0.036(2) -0.0083(15) -0.0096(17) 0.0021(15) C01D 0.0294(17) 0.0275(18) 0.059(2) 0.0122(17) 0.0147(17) 0.0027(14) C01E 0.0281(16) 0.047(2) 0.0308(19) -0.0015(15) 0.0115(14) 0.0074(15) C01F 0.0236(16) 0.0324(19) 0.061(3) -0.0053(17) 0.0023(17) -0.0046(14) F01G 0.093(5) 0.062(4) 0.076(5) -0.057(4) 0.030(4) -0.029(4) F01H 0.077(5) 0.054(4) 0.129(8) -0.038(4) -0.070(5) 0.009(3) F1 0.073(4) 0.027(3) 0.101(6) -0.017(3) -0.033(4) 0.011(3) F00Y 0.048(3) 0.075(4) 0.119(6) -0.064(4) 0.004(3) -0.020(3) F01I 0.154(7) 0.057(4) 0.028(3) -0.003(2) -0.018(4) -0.053(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C00C N008 C00Z 124.3(2) . . ? C00C N008 C017 119.1(2) . . ? C00Z N008 C017 116.4(2) . . ? C00H C009 C00D 120.5(2) . . ? C00L C009 C00D 120.9(2) . . ? C00L C009 C00H 118.5(3) . . ? C00B C00A C00E 122.9(2) . . ? C00B C00A C00Y 118.2(2) . . ? C00Y C00A C00E 118.8(2) . . ? C00A C00B H00B 119.4 . . ? C00J C00B C00A 121.2(3) . . ? C00J C00B H00B 119.4 . . ? O004 C00C N008 121.2(2) . . ? O004 C00C C00P 117.3(2) . . ? N008 C00C C00P 121.5(2) . . ? C009 C00D C00F 128.2(2) . . ? C009 C00D C00G 120.6(2) . . ? C009 C00D C00P 126.8(2) . . ? C00F C00D C00P 90.50(19) . . ? C00G C00D C00F 89.69(19) . . ? C00G C00D C00P 89.67(19) . . ? C00A C00E C00F 129.8(2) . . ? C00A C00E C00M 121.3(2) . . ? C00A C00E C00P 124.3(2) . . ? C00F C00E C00M 89.96(19) . . ? C00F C00E C00P 90.26(19) . . ? C00M C00E C00P 89.98(19) . . ? C00D C00F H00F 125.1 . . ? C00E C00F C00D 90.16(19) . . ? C00E C00F H00F 125.1 . . ? C00E C00F C00O 90.0(2) . . ? C00O C00F C00D 90.58(19) . . ? C00O C00F H00F 125.1 . . ? C00D C00G H00G 124.6 . . ? C00D C00G C00K 91.48(19) . . ? C00D C00G C00O 90.42(19) . . ? C00K C00G H00G 124.6 . . ? C00K C00G C00O 90.8(2) . . ? C00O C00G H00G 124.6 . . ? C009 C00H H00H 119.5 . . ? C00U C00H C009 121.0(3) . . ? C00U C00H H00H 119.5 . . ? C00Q C00I C00K 121.1(2) . . ? C00S C00I C00K 120.6(2) . . ? C00S C00I C00Q 118.3(3) . . ? C00B C00J H00J 120.3 . . ? C00N C00J C00B 119.5(3) . . ? C00N C00J H00J 120.3 . . ? C00G C00K C00P 88.97(19) . . ? C00I C00K C00G 124.5(2) . . ? C00I C00K C00M 125.3(2) . . ? C00I C00K C00P 127.1(2) . . ? C00M C00K C00G 89.2(2) . . ? C00M C00K C00P 90.16(19) . . ? C009 C00L H00L 119.6 . . ? C013 C00L C009 120.9(3) . . ? C013 C00L H00L 119.6 . . ? C00E C00M H00M 124.7 . . ? C00K C00M C00E 90.99(19) . . ? C00K C00M H00M 124.7 . . ? C00K C00M C00O 91.6(2) . . ? C00O C00M C00E 89.97(19) . . ? C00O C00M H00M 124.7 . . ? C00J C00N C00V 120.6(3) . . ? C00J C00N C011 118.3(3) . . ? C00V C00N C011 121.1(3) . . ? C00F C00O C00G 89.31(19) . . ? C00M C00O C00F 90.05(19) . . ? C00M C00O C00G 88.5(2) . . ? C00W C00O C00F 125.4(2) . . ? C00W C00O C00G 125.5(2) . . ? C00W C00O C00M 126.4(2) . . ? C00C C00P C00D 129.3(2) . . ? C00C C00P C00E 123.8(2) . . ? C00C C00P C00K 124.0(2) . . ? C00D C00P C00E 89.07(19) . . ? C00D C00P C00K 89.88(19) . . ? C00E C00P C00K 88.87(19) . . ? C00I C00Q H00Q 119.6 . . ? C012 C00Q C00I 120.8(3) . . ? C012 C00Q H00Q 119.6 . . ? C00U C00R C01C 119.5(3) . . ? C013 C00R C00U 120.0(3) . . ? C013 C00R C01C 120.4(3) . . ? C00I C00S H00S 119.3 . . ? C00I C00S C00T 121.3(3) . . ? C00T C00S H00S 119.3 . . ? C00S C00T H00T 120.1 . . ? C010 C00T C00S 119.7(3) . . ? C010 C00T H00T 120.1 . . ? C00H C00U C00R 119.5(3) . . ? C00H C00U H00U 120.2 . . ? C00R C00U H00U 120.2 . . ? C00N C00V H00V 120.3 . . ? C00Y C00V C00N 119.3(3) . . ? C00Y C00V H00V 120.3 . . ? C014 C00W C00O 121.2(3) . . ? C014 C00W C018 118.4(3) . . ? C018 C00W C00O 120.3(3) . . ? C00A C00Y H00Y 119.4 . . ? C00V C00Y C00A 121.2(3) . . ? C00V C00Y H00Y 119.4 . . ? N008 C00Z H00Z 107.9 . . ? N008 C00Z C016 112.2(2) . . ? N008 C00Z C019 111.2(2) . . ? C016 C00Z H00Z 107.9 . . ? C016 C00Z C019 109.7(2) . . ? C019 C00Z H00Z 107.9 . . ? C00T C010 C012 119.8(3) . . ? C00T C010 C015 119.6(3) . . ? C012 C010 C015 120.6(3) . . ? F001 C011 C00N 112.4(2) . . ? F002 C011 F001 105.9(2) . . ? F002 C011 F003 106.6(2) . . ? F002 C011 C00N 113.4(2) . . ? F003 C011 F001 105.7(2) . . ? F003 C011 C00N 112.3(2) . . ? C00Q C012 C010 120.0(3) . . ? C00Q C012 H012 120.0 . . ? C010 C012 H012 120.0 . . ? C00L C013 C00R 120.1(3) . . ? C00L C013 H013 120.0 . . ? C00R C013 H013 120.0 . . ? C00W C014 H014 119.6 . . ? C01B C014 C00W 120.8(3) . . ? C01B C014 H014 119.6 . . ? F005 C015 C010 113.4(3) . . ? F006 C015 F005 103.8(3) . . ? F006 C015 C010 112.5(2) . . ? F007 C015 F005 104.4(3) . . ? F007 C015 F006 107.9(3) . . ? F007 C015 C010 114.0(3) . . ? C00Z C016 H01A 109.5 . . ? C00Z C016 H01B 109.5 . . ? C00Z C016 H01C 109.5 . . ? H01A C016 H01B 109.5 . . ? H01A C016 H01C 109.5 . . ? H01B C016 H01C 109.5 . . ? N008 C017 H017 106.5 . . ? N008 C017 C01A 111.7(2) . . ? N008 C017 C01E 112.3(2) . . ? C01A C017 H017 106.5 . . ? C01A C017 C01E 112.8(3) . . ? C01E C017 H017 106.5 . . ? C00W C018 H018 119.8 . . ? C01F C018 C00W 120.5(3) . . ? C01F C018 H018 119.8 . . ? C00Z C019 H01D 109.5 . . ? C00Z C019 H01E 109.5 . . ? C00Z C019 H01F 109.5 . . ? H01D C019 H01E 109.5 . . ? H01D C019 H01F 109.5 . . ? H01E C019 H01F 109.5 . . ? C017 C01A H01G 109.5 . . ? C017 C01A H01H 109.5 . . ? C017 C01A H01I 109.5 . . ? H01G C01A H01H 109.5 . . ? H01G C01A H01I 109.5 . . ? H01H C01A H01I 109.5 . . ? C014 C01B H01J 119.9 . . ? C01D C01B C014 120.2(3) . . ? C01D C01B H01J 119.9 . . ? F00X C01C C00R 115.9(4) . . ? F00X C01C F01G 102.6(5) . . ? F00X C01C F01H 111.5(6) . . ? F01G C01C C00R 109.4(4) . . ? F01H C01C C00R 113.8(3) . . ? F01H C01C F01G 102.0(5) . . ? F1 C01C C00R 112.1(4) . . ? F1 C01C F00Y 101.1(5) . . ? F00Y C01C C00R 111.6(3) . . ? F01I C01C C00R 116.9(4) . . ? F01I C01C F1 108.5(5) . . ? F01I C01C F00Y 105.4(5) . . ? C01B C01D H01K 120.4 . . ? C01B C01D C01F 119.3(3) . . ? C01F C01D H01K 120.4 . . ? C017 C01E H01L 109.5 . . ? C017 C01E H01M 109.5 . . ? C017 C01E H01N 109.5 . . ? H01L C01E H01M 109.5 . . ? H01L C01E H01N 109.5 . . ? H01M C01E H01N 109.5 . . ? C018 C01F C01D 120.8(3) . . ? C018 C01F H01O 119.6 . . ? C01D C01F H01O 119.6 . . ? 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 F001 C011 1.339(3) . ? F002 C011 1.338(3) . ? F003 C011 1.339(3) . ? O004 C00C 1.236(3) . ? F005 C015 1.339(4) . ? F006 C015 1.327(4) . ? F007 C015 1.319(4) . ? N008 C00C 1.350(3) . ? N008 C00Z 1.480(3) . ? N008 C017 1.489(3) . ? C009 C00D 1.482(4) . ? C009 C00H 1.396(4) . ? C009 C00L 1.390(4) . ? C00A C00B 1.386(4) . ? C00A C00E 1.481(4) . ? C00A C00Y 1.401(4) . ? C00B H00B 0.9500 . ? C00B C00J 1.386(4) . ? C00C C00P 1.508(4) . ? C00D C00F 1.571(4) . ? C00D C00G 1.567(4) . ? C00D C00P 1.581(4) . ? C00E C00F 1.569(4) . ? C00E C00M 1.572(4) . ? C00E C00P 1.589(4) . ? C00F H00F 1.0000 . ? C00F C00O 1.570(4) . ? C00G H00G 1.0000 . ? C00G C00K 1.569(4) . ? C00G C00O 1.578(4) . ? C00H H00H 0.9500 . ? C00H C00U 1.381(4) . ? C00I C00K 1.496(4) . ? C00I C00Q 1.395(4) . ? C00I C00S 1.381(4) . ? C00J H00J 0.9500 . ? C00J C00N 1.383(4) . ? C00K C00M 1.557(4) . ? C00K C00P 1.598(4) . ? C00L H00L 0.9500 . ? C00L C013 1.380(4) . ? C00M H00M 1.0000 . ? C00M C00O 1.568(4) . ? C00N C00V 1.388(4) . ? C00N C011 1.497(4) . ? C00O C00W 1.484(4) . ? C00Q H00Q 0.9500 . ? C00Q C012 1.382(4) . ? C00R C00U 1.390(4) . ? C00R C013 1.383(4) . ? C00R C01C 1.484(4) . ? C00S H00S 0.9500 . ? C00S C00T 1.390(4) . ? C00T H00T 0.9500 . ? C00T C010 1.378(4) . ? C00U H00U 0.9500 . ? C00V H00V 0.9500 . ? C00V C00Y 1.380(4) . ? C00W C014 1.391(4) . ? C00W C018 1.396(4) . ? F00X C01C 1.298(5) . ? C00Y H00Y 0.9500 . ? C00Z H00Z 1.0000 . ? C00Z C016 1.526(4) . ? C00Z C019 1.532(4) . ? C010 C012 1.390(4) . ? C010 C015 1.486(4) . ? C012 H012 0.9500 . ? C013 H013 0.9500 . ? C014 H014 0.9500 . ? C014 C01B 1.391(4) . ? C016 H01A 0.9800 . ? C016 H01B 0.9800 . ? C016 H01C 0.9800 . ? C017 H017 1.0000 . ? C017 C01A 1.519(4) . ? C017 C01E 1.525(4) . ? C018 H018 0.9500 . ? C018 C01F 1.382(4) . ? C019 H01D 0.9800 . ? C019 H01E 0.9800 . ? C019 H01F 0.9800 . ? C01A H01G 0.9800 . ? C01A H01H 0.9800 . ? C01A H01I 0.9800 . ? C01B H01J 0.9500 . ? C01B C01D 1.382(5) . ? C01C F01G 1.373(5) . ? C01C F01H 1.301(5) . ? C01C F1 1.317(5) . ? C01C F00Y 1.364(5) . ? C01C F01I 1.293(5) . ? C01D H01K 0.9500 . ? C01D C01F 1.384(5) . ? C01E H01L 0.9800 . ? C01E H01M 0.9800 . ? C01E H01N 0.9800 . ? C01F H01O 0.9500 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O004 C00C C00P C00D -129.5(3) . . . . ? O004 C00C C00P C00E 108.9(3) . . . . ? O004 C00C C00P C00K -6.1(4) . . . . ? N008 C00C C00P C00D 51.7(4) . . . . ? N008 C00C C00P C00E -69.9(3) . . . . ? N008 C00C C00P C00K 175.1(2) . . . . ? C009 C00D C00F C00E -140.6(3) . . . . ? C009 C00D C00F C00O 129.4(3) . . . . ? C009 C00D C00G C00K 134.3(2) . . . . ? C009 C00D C00G C00O -134.9(2) . . . . ? C009 C00D C00P C00C 6.5(4) . . . . ? C009 C00D C00P C00E 141.5(3) . . . . ? C009 C00D C00P C00K -129.7(3) . . . . ? C009 C00H C00U C00R -0.2(4) . . . . ? C009 C00L C013 C00R 0.2(4) . . . . ? C00A C00B C00J C00N -0.2(4) . . . . ? C00A C00E C00F C00D 137.9(3) . . . . ? C00A C00E C00F C00O -131.6(3) . . . . ? C00A C00E C00M C00K -130.9(2) . . . . ? C00A C00E C00M C00O 137.5(2) . . . . ? C00A C00E C00P C00C -2.7(4) . . . . ? C00A C00E C00P C00D -141.5(3) . . . . ? C00A C00E C00P C00K 128.6(3) . . . . ? C00B C00A C00E C00F 10.7(4) . . . . ? C00B C00A C00E C00M -109.7(3) . . . . ? C00B C00A C00E C00P 135.8(3) . . . . ? C00B C00A C00Y C00V 0.1(4) . . . . ? C00B C00J C00N C00V 0.1(4) . . . . ? C00B C00J C00N C011 -179.0(3) . . . . ? C00C N008 C00Z C016 -123.8(3) . . . . ? C00C N008 C00Z C019 112.9(3) . . . . ? C00C N008 C017 C01A 64.0(3) . . . . ? C00C N008 C017 C01E -63.9(3) . . . . ? C00D C009 C00H C00U 177.1(2) . . . . ? C00D C009 C00L C013 -177.1(3) . . . . ? C00D C00F C00O C00G 0.71(19) . . . . ? C00D C00F C00O C00M 89.2(2) . . . . ? C00D C00F C00O C00W -134.1(3) . . . . ? C00D C00G C00K C00I -136.4(3) . . . . ? C00D C00G C00K C00M 89.74(19) . . . . ? C00D C00G C00K C00P -0.44(19) . . . . ? C00D C00G C00O C00F -0.71(19) . . . . ? C00D C00G C00O C00M -90.79(19) . . . . ? C00D C00G C00O C00W 133.9(3) . . . . ? C00E C00A C00B C00J 177.4(2) . . . . ? C00E C00A C00Y C00V -177.3(2) . . . . ? C00E C00F C00O C00G -89.45(19) . . . . ? C00E C00F C00O C00M -0.98(19) . . . . ? C00E C00F C00O C00W 135.8(3) . . . . ? C00E C00M C00O C00F 0.98(19) . . . . ? C00E C00M C00O C00G 90.29(19) . . . . ? C00E C00M C00O C00W -135.0(3) . . . . ? C00F C00D C00G C00K -90.1(2) . . . . ? C00F C00D C00G C00O 0.71(19) . . . . ? C00F C00D C00P C00C -134.6(3) . . . . ? C00F C00D C00P C00E 0.38(19) . . . . ? C00F C00D C00P C00K 89.25(19) . . . . ? C00F C00E C00M C00K 90.6(2) . . . . ? C00F C00E C00M C00O -0.98(19) . . . . ? C00F C00E C00P C00C 138.4(2) . . . . ? C00F C00E C00P C00D -0.38(19) . . . . ? C00F C00E C00P C00K -90.28(19) . . . . ? C00F C00O C00W C014 25.4(4) . . . . ? C00F C00O C00W C018 -154.0(3) . . . . ? C00G C00D C00F C00E 89.29(19) . . . . ? C00G C00D C00F C00O -0.72(19) . . . . ? C00G C00D C00P C00C 135.7(3) . . . . ? C00G C00D C00P C00E -89.31(19) . . . . ? C00G C00D C00P C00K -0.43(19) . . . . ? C00G C00K C00M C00E -89.29(19) . . . . ? C00G C00K C00M C00O 0.70(19) . . . . ? C00G C00K C00P C00C -139.3(2) . . . . ? C00G C00K C00P C00D 0.43(19) . . . . ? C00G C00K C00P C00E 89.51(19) . . . . ? C00G C00O C00W C014 -93.9(3) . . . . ? C00G C00O C00W C018 86.7(4) . . . . ? C00H C009 C00D C00F 165.5(2) . . . . ? C00H C009 C00D C00G -77.3(3) . . . . ? C00H C009 C00D C00P 38.5(4) . . . . ? C00H C009 C00L C013 -1.0(4) . . . . ? C00I C00K C00M C00E 137.5(3) . . . . ? C00I C00K C00M C00O -132.5(3) . . . . ? C00I C00K C00P C00C -5.1(4) . . . . ? C00I C00K C00P C00D 134.6(3) . . . . ? C00I C00K C00P C00E -136.3(3) . . . . ? C00I C00Q C012 C010 1.1(4) . . . . ? C00I C00S C00T C010 0.6(4) . . . . ? C00J C00N C00V C00Y 0.0(4) . . . . ? C00J C00N C011 F001 65.2(3) . . . . ? C00J C00N C011 F002 -174.7(2) . . . . ? C00J C00N C011 F003 -53.8(4) . . . . ? C00K C00G C00O C00F 90.77(19) . . . . ? C00K C00G C00O C00M 0.69(19) . . . . ? C00K C00G C00O C00W -134.6(3) . . . . ? C00K C00I C00Q C012 177.8(3) . . . . ? C00K C00I C00S C00T -178.7(3) . . . . ? C00K C00M C00O C00F -90.01(19) . . . . ? C00K C00M C00O C00G -0.70(19) . . . . ? C00K C00M C00O C00W 134.0(3) . . . . ? C00L C009 C00D C00F -18.5(4) . . . . ? C00L C009 C00D C00G 98.7(3) . . . . ? C00L C009 C00D C00P -145.5(3) . . . . ? C00L C009 C00H C00U 1.0(4) . . . . ? C00M C00E C00F C00D -89.60(19) . . . . ? C00M C00E C00F C00O 0.98(19) . . . . ? C00M C00E C00P C00C -131.7(3) . . . . ? C00M C00E C00P C00D 89.58(19) . . . . ? C00M C00E C00P C00K -0.32(19) . . . . ? C00M C00K C00P C00C 131.5(2) . . . . ? C00M C00K C00P C00D -88.8(2) . . . . ? C00M C00K C00P C00E 0.32(19) . . . . ? C00M C00O C00W C014 147.1(3) . . . . ? C00M C00O C00W C018 -32.4(4) . . . . ? C00N C00V C00Y C00A -0.1(4) . . . . ? C00O C00G C00K C00I 133.1(3) . . . . ? C00O C00G C00K C00M -0.70(19) . . . . ? C00O C00G C00K C00P -90.87(19) . . . . ? C00O C00W C014 C01B -177.2(3) . . . . ? C00O C00W C018 C01F 177.7(3) . . . . ? C00P C00D C00F C00E -0.38(19) . . . . ? C00P C00D C00F C00O -90.39(19) . . . . ? C00P C00D C00G C00K 0.44(19) . . . . ? C00P C00D C00G C00O 91.21(19) . . . . ? C00P C00E C00F C00D 0.38(19) . . . . ? C00P C00E C00F C00O 90.96(19) . . . . ? C00P C00E C00M C00K 0.3(2) . . . . ? C00P C00E C00M C00O -91.25(19) . . . . ? C00P C00K C00M C00E -0.33(19) . . . . ? C00P C00K C00M C00O 89.67(19) . . . . ? C00Q C00I C00K C00G 62.8(4) . . . . ? C00Q C00I C00K C00M -179.3(3) . . . . ? C00Q C00I C00K C00P -56.7(4) . . . . ? C00Q C00I C00S C00T 1.6(4) . . . . ? C00S C00I C00K C00G -116.8(3) . . . . ? C00S C00I C00K C00M 1.0(4) . . . . ? C00S C00I C00K C00P 123.7(3) . . . . ? C00S C00I C00Q C012 -2.5(4) . . . . ? C00S C00T C010 C012 -2.1(4) . . . . ? C00S C00T C010 C015 174.3(3) . . . . ? C00T C010 C012 C00Q 1.2(4) . . . . ? C00T C010 C015 F005 36.4(4) . . . . ? C00T C010 C015 F006 -81.0(4) . . . . ? C00T C010 C015 F007 155.7(3) . . . . ? C00U C00R C013 C00L 0.5(4) . . . . ? C00U C00R C01C F00X 26.6(8) . . . . ? C00U C00R C01C F01G 142.0(7) . . . . ? C00U C00R C01C F01H -104.6(8) . . . . ? C00U C00R C01C F1 59.9(6) . . . . ? C00U C00R C01C F00Y -52.7(7) . . . . ? C00U C00R C01C F01I -174.0(7) . . . . ? C00V C00N C011 F001 -113.9(3) . . . . ? C00V C00N C011 F002 6.2(4) . . . . ? C00V C00N C011 F003 127.1(3) . . . . ? C00W C014 C01B C01D -0.9(5) . . . . ? C00W C018 C01F C01D -0.2(5) . . . . ? C00Y C00A C00B C00J 0.1(4) . . . . ? C00Y C00A C00E C00F -172.0(3) . . . . ? C00Y C00A C00E C00M 67.6(3) . . . . ? C00Y C00A C00E C00P -46.9(4) . . . . ? C00Z N008 C00C O004 -171.6(2) . . . . ? C00Z N008 C00C C00P 7.1(4) . . . . ? C00Z N008 C017 C01A -120.9(3) . . . . ? C00Z N008 C017 C01E 111.2(3) . . . . ? C011 C00N C00V C00Y 179.2(3) . . . . ? C012 C010 C015 F005 -147.3(3) . . . . ? C012 C010 C015 F006 95.3(3) . . . . ? C012 C010 C015 F007 -28.0(4) . . . . ? C013 C00R C00U C00H -0.5(4) . . . . ? C013 C00R C01C F00X -154.4(7) . . . . ? C013 C00R C01C F01G -39.1(7) . . . . ? C013 C00R C01C F01H 74.3(8) . . . . ? C013 C00R C01C F1 -121.1(6) . . . . ? C013 C00R C01C F00Y 126.2(6) . . . . ? C013 C00R C01C F01I 5.0(8) . . . . ? C014 C00W C018 C01F -1.7(4) . . . . ? C014 C01B C01D C01F -1.1(5) . . . . ? C015 C010 C012 C00Q -175.1(3) . . . . ? C017 N008 C00C O004 3.0(4) . . . . ? C017 N008 C00C C00P -178.3(2) . . . . ? C017 N008 C00Z C016 61.5(3) . . . . ? C017 N008 C00Z C019 -61.8(3) . . . . ? C018 C00W C014 C01B 2.2(4) . . . . ? C01B C01D C01F C018 1.6(5) . . . . ? C01C C00R C00U C00H 178.4(3) . . . . ? C01C C00R C013 C00L -178.4(3) . . . . ?