#------------------------------------------------------------------------------ #$Date: 2024-12-03 04:59:07 +0200 (Tue, 03 Dec 2024) $ #$Revision: 296196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/27/2312717.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2312717 loop_ _publ_author_name 'Kanthapazham, Rajakumar' 'Osipov, Artyom A.' 'Zherebtsov, Dmitry A.' 'Efremov, Andrey N.' 'Nayfert, Sergey A.' 'Adonin, Sergey A.' 'Spiridonova, Dar'ya V.' 'Atapin, Sergey V.' _publ_section_title ; Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts. ; _journal_coeditor_code AW5097 _journal_issue 6 _journal_name_full 'Acta crystallographica Section B, Structural science, crystal engineering and materials' _journal_paper_doi 10.1107/S2052520624009818 _journal_volume 80 _journal_year 2024 _chemical_formula_moiety 'C36 H24 Na2 O16, C18 H26 N2, 2(H2 O)' _chemical_formula_sum 'C54 H54 N2 Na2 O18' _chemical_formula_weight 1064.97 _space_group_crystal_system tetragonal _space_group_IT_number 114 _space_group_name_Hall 'P -4 2n' _space_group_name_H-M_alt 'P -4 21 c' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2024-07-02 _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 17.13140(10) _cell_length_b 17.13140(10) _cell_length_c 35.1640(2) _cell_measurement_reflns_used 33259 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 79.1880 _cell_measurement_theta_min 2.5250 _cell_volume 10320.10(10) _computing_cell_refinement 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_data_collection 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_data_reduction 'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2019/3 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 0.990 _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 -25.00 5.00 0.50 10.00 -- -47.38 8.00 23.00 60 2 \w -99.00 -19.00 0.50 10.00 -- -47.38 135.00-118.00 160 3 \w -101.00 -35.00 0.50 38.00 -- -106.00 135.00-118.00 132 4 \w -125.00 -33.00 0.50 38.00 -- -106.00 151.00 -39.00 184 5 \w 74.00 102.00 0.50 10.00 -- 47.38 125.00 30.00 56 6 \w 95.00 120.00 0.50 10.00 -- 47.38 125.00-180.00 50 7 \w -161.00-101.00 0.50 38.00 -- -106.00 -15.00 60.00 120 8 \w 44.00 70.00 0.50 38.00 -- 113.25 -61.00 30.00 52 9 \w 44.00 70.00 0.50 38.00 -- 113.25 -61.00 -30.00 52 10 \w 102.00 171.00 0.50 38.00 -- 113.25 15.00 -90.00 138 11 \w 43.00 70.00 0.50 38.00 -- 113.25 -61.00 60.00 54 12 \w 43.00 69.00 0.50 38.00 -- 113.25 -61.00-150.00 52 13 \w 60.00 113.00 0.50 38.00 -- 113.25-133.00 -4.00 106 14 \w -112.00 -74.00 0.50 10.00 -- -47.38-125.00 -30.00 76 15 \w 74.00 99.00 0.50 10.00 -- 47.38 125.00 0.00 50 16 \w -11.00 18.00 0.50 10.00 -- 47.38 -19.00 150.00 58 17 \w -18.00 25.00 0.50 10.00 -- 47.38 -19.00 60.00 86 18 \w -68.00 -33.00 0.50 38.00 -- -106.00 61.00 90.00 70 19 \w -112.00 -86.00 0.50 38.00 -- -106.00 -94.00-120.00 52 20 \w -171.00-133.00 0.50 38.00 -- -106.00 -94.00-120.00 76 21 \w 42.00 67.00 0.50 38.00 -- 113.25 -61.00 0.00 50 22 \w 106.00 152.00 0.50 38.00 -- 113.25 45.00 90.00 92 23 \w 42.00 71.00 0.50 38.00 -- 113.25 -61.00 150.00 58 24 \w 119.00 160.00 0.50 38.00 -- 113.25 15.00-120.00 82 25 \w 42.00 67.00 0.50 38.00 -- 113.25 -61.00-180.00 50 26 \w 106.00 141.00 0.50 38.00 -- 113.25 45.00-180.00 70 27 \w 147.00 173.00 0.50 38.00 -- 113.25 45.00-180.00 52 28 \w 117.00 178.00 0.50 38.00 -- 113.25 45.00 -90.00 122 29 \w 42.00 54.50 0.50 38.00 -- 113.25-125.00-180.00 25 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0043003000 _diffrn_orient_matrix_UB_12 0.0786553000 _diffrn_orient_matrix_UB_13 0.0211309000 _diffrn_orient_matrix_UB_21 -0.0084899000 _diffrn_orient_matrix_UB_22 0.0436239000 _diffrn_orient_matrix_UB_23 -0.0381010000 _diffrn_orient_matrix_UB_31 -0.0893935000 _diffrn_orient_matrix_UB_32 -0.0003534000 _diffrn_orient_matrix_UB_33 0.0046512000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0603 _diffrn_reflns_av_unetI/netI 0.0315 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_limit_l_min -44 _diffrn_reflns_number 74078 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.974 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 80.199 _diffrn_reflns_theta_min 2.513 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _exptl_absorpt_coefficient_mu 1.007 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.68699 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'light yellow' _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary yellow _exptl_crystal_density_diffrn 1.371 _exptl_crystal_description prism _exptl_crystal_F_000 4464 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.03 _refine_diff_density_max 0.984 _refine_diff_density_min -0.459 _refine_diff_density_rms 0.073 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.40(16) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.080 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 716 _refine_ls_number_reflns 10998 _refine_ls_number_restraints 12 _refine_ls_restrained_S_all 1.139 _refine_ls_R_factor_all 0.0780 _refine_ls_R_factor_gt 0.0759 _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^)+(0.0789P)^2^+19.3704P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1896 _refine_ls_wR_factor_ref 0.1910 _reflns_Friedel_coverage 0.814 _reflns_Friedel_fraction_full 0.998 _reflns_Friedel_fraction_max 0.954 _reflns_number_gt 10599 _reflns_number_total 10998 _reflns_threshold_expression 'I > 2\s(I)' _iucr_refine_instructions_details ; TITL dadsa_hmbc_2_a.res in P-42(1)c dadsa_hmbc_2.res created by SHELXL-2019/3 at 12:08:27 on 07-Jun-2024 REM Old TITL DADSA_HMBC_2 in P42mc #105 REM SHELXT solution in P-42(1)c: R1 0.185, Rweak 0.023, Alpha 0.007 REM 4.221 for 283 systematic absences, Orientation as input REM Flack x = 0.401 ( 0.046 ) from 4415 Parsons' quotients REM Formula found by SHELXT: C52 N10 O14 CELL 1.54184 17.1314 17.1314 35.164 90 90 90 ZERR 8 0.0001 0.0001 0.0002 0 0 0 LATT -1 SYMM -X,-Y,+Z SYMM +Y,-X,-Z SYMM -Y,+X,-Z SYMM 0.5-X,0.5+Y,0.5-Z SYMM 0.5+X,0.5-Y,0.5-Z SYMM 0.5-Y,0.5-X,0.5+Z SYMM 0.5+Y,0.5+X,0.5+Z SFAC C H N Na O UNIT 432 432 16 16 144 ISOR 0.003 0.006 O15 ISOR 0.005 0.01 O7 L.S. 200 0 0 PLAN 9 SIZE 0.03 0.1 0.12 TEMP -173 CONF BOND list 4 MORE -1 BOND $H fmap 2 53 acta TWIN -1 0 0 0 -1 0 0 0 -1 2 OMIT 0 17 9 REM REM REM WGHT 0.078900 19.370399 BASF 0.39642 FVAR 0.12577 0.78754 NA1 4 0.500000 0.500000 0.249473 10.50000 0.03484 0.03393 = 0.02271 0.00000 0.00000 -0.00429 O12 5 0.377373 0.540151 0.354029 11.00000 0.03433 0.02572 = 0.03273 0.00508 -0.00568 0.00582 AFIX 147 H12 2 0.385195 0.524018 0.331795 11.00000 -1.50000 AFIX 0 O11 5 0.422639 0.449271 0.302427 11.00000 0.03175 0.02919 = 0.02716 0.00602 -0.00389 0.00150 O10 5 0.476870 0.334307 0.316742 11.00000 0.04099 0.02400 = 0.02618 0.00066 0.00290 0.00419 O5 5 0.486494 0.334715 1.185304 11.00000 0.04489 0.02958 = 0.02947 0.00045 -0.00375 0.00468 O6 5 0.578298 0.553850 0.196353 11.00000 0.03881 0.03724 = 0.02722 0.00670 -0.00380 0.00353 O1 5 0.519180 0.183615 0.815468 11.00000 0.04275 0.05481 = 0.02646 0.00439 -0.00085 0.00938 O18 5 0.562504 0.379134 0.251684 11.00000 0.03330 0.03562 = 0.03231 -0.00100 0.00154 -0.00042 AFIX 7 H18A 2 0.551208 0.346811 0.230354 11.00000 -1.50000 H18B 2 0.544504 0.346517 0.272041 11.00000 -1.50000 AFIX 0 O16 5 0.574953 0.303387 0.749397 11.00000 0.04826 0.03469 = 0.03142 -0.00162 0.00030 0.00397 AFIX 7 H16A 2 0.568458 0.333610 0.769201 11.00000 -1.50000 H16B 2 0.565326 0.333684 0.729910 11.00000 -1.50000 AFIX 0 N1 3 0.265544 0.725338 0.354711 11.00000 0.01683 0.02205 = 0.02321 -0.00076 0.00092 0.00649 O4 5 0.367607 0.525725 1.142377 11.00000 0.03726 0.02895 = 0.03829 -0.00156 0.00778 0.00840 AFIX 147 H4 2 0.378786 0.514234 1.164952 11.00000 -1.50000 AFIX 0 O3 5 0.620261 -0.027520 0.842151 11.00000 0.04702 0.04059 = 0.05313 -0.01801 0.00503 0.00483 AFIX 147 H3 2 0.607512 -0.008383 0.821053 11.00000 -1.50000 AFIX 0 O2 5 0.565999 0.068630 0.796043 11.00000 0.05029 0.07990 = 0.02585 -0.02321 -0.00112 0.00660 O8 5 0.633916 -0.019983 0.651535 11.00000 0.03943 0.06308 = 0.07820 0.04790 0.00169 0.01340 AFIX 147 H8 2 0.629337 -0.000494 0.673341 11.00000 -1.50000 AFIX 0 O14 5 0.367940 0.278881 0.752284 11.00000 0.08835 0.03537 = 0.04018 0.00268 -0.00481 -0.00068 AFIX 7 H14A 2 0.311836 0.273697 0.756421 11.00000 -1.50000 H14B 2 0.372611 0.323907 0.768164 11.00000 -1.50000 AFIX 0 N2 3 0.214573 0.757669 0.639577 11.00000 0.03297 0.02389 = 0.02501 -0.00142 0.00268 0.00800 O9 5 0.511528 0.173495 0.686642 11.00000 0.05529 0.10411 = 0.02201 0.00251 0.00290 0.00863 AFIX 6 O17 5 0.593546 0.742777 0.249842 11.00000 0.06681 0.03560 = 0.05693 -0.00036 0.00312 -0.01026 H17A 2 0.596995 0.739137 0.225281 11.00000 -1.50000 H17B 2 0.543901 0.738772 0.254637 11.00000 -1.50000 AFIX 0 C41 1 0.260624 0.726127 0.397091 11.00000 0.02150 0.01987 = 0.02441 -0.00202 0.00229 0.00082 C32 1 0.397505 0.484071 0.379107 11.00000 0.01884 0.01530 = 0.03393 0.00258 -0.00169 0.00273 C35 1 0.436490 0.372138 0.433634 11.00000 0.01970 0.02498 = 0.03192 0.00223 -0.00008 0.00099 C13 1 0.474990 0.356531 1.106161 11.00000 0.02488 0.02196 = 0.02958 -0.00227 0.00046 -0.00252 AFIX 43 H13 2 0.503071 0.312383 1.115110 11.00000 -1.20000 AFIX 0 C54 1 0.235276 0.737633 0.518210 11.00000 0.01886 0.02093 = 0.02491 -0.00167 -0.00064 0.00019 C37 1 0.445417 0.396840 0.326468 11.00000 0.02207 0.02158 = 0.03003 0.00348 -0.00244 -0.00258 C12 1 0.441973 0.408149 1.132401 11.00000 0.02207 0.02440 = 0.02947 -0.00164 0.00146 -0.00593 C5 1 0.571125 0.127183 0.929354 11.00000 0.02438 0.02659 = 0.02274 -0.00020 0.00064 0.00026 C44 1 0.244670 0.731225 0.476232 11.00000 0.01979 0.01974 = 0.02191 -0.00107 -0.00061 0.00350 C28 1 0.485372 0.219079 0.516381 11.00000 0.02385 0.02773 = 0.02336 -0.00351 -0.00089 0.00149 C31 1 0.432039 0.413468 0.367775 11.00000 0.01723 0.01956 = 0.02681 0.00187 0.00008 -0.00156 C17 1 0.451487 0.394584 1.174153 11.00000 0.02940 0.03043 = 0.02644 -0.00516 0.00218 -0.00748 C29 1 0.466981 0.269906 0.487635 11.00000 0.02571 0.02676 = 0.02271 -0.00049 0.00066 -0.00080 C6 1 0.553731 0.147703 0.892041 11.00000 0.02503 0.02232 = 0.02378 -0.00224 0.00013 0.00153 AFIX 43 H6 2 0.531114 0.197174 0.886788 11.00000 -1.20000 AFIX 0 C18 1 0.549504 0.119164 0.821929 11.00000 0.02946 0.04364 = 0.02697 -0.00202 0.00038 -0.00689 C57 1 0.216286 0.841312 0.651602 11.00000 0.03051 0.02708 = 0.02909 -0.00065 0.00414 -0.00179 AFIX 137 H57A 2 0.173516 0.869566 0.639231 11.00000 -1.50000 H57B 2 0.266245 0.864662 0.644193 11.00000 -1.50000 H57C 2 0.210219 0.844563 0.679269 11.00000 -1.50000 AFIX 0 C36 1 0.451052 0.358410 0.395156 11.00000 0.02013 0.02174 = 0.02775 -0.00061 -0.00354 -0.00208 AFIX 43 H36 2 0.474376 0.310551 0.387601 11.00000 -1.20000 AFIX 0 C47 1 0.224827 0.796581 0.338954 11.00000 0.02937 0.02716 = 0.03225 0.00454 0.00359 0.00916 AFIX 137 H47A 2 0.248964 0.843761 0.349447 11.00000 -1.50000 H47B 2 0.169506 0.795149 0.346012 11.00000 -1.50000 H47C 2 0.229605 0.797040 0.311183 11.00000 -1.50000 AFIX 0 C11 1 0.400018 0.472823 1.118615 11.00000 0.02380 0.02921 = 0.03165 -0.00345 0.00368 -0.00571 C21 1 0.559664 0.095077 0.636882 11.00000 0.02373 0.04440 = 0.03098 0.01718 0.00328 0.00075 C27 1 0.505805 0.176228 0.541639 11.00000 0.02587 0.02622 = 0.02235 -0.00222 -0.00116 0.00270 C25 1 0.535930 0.125738 0.570338 11.00000 0.02024 0.01943 = 0.03198 0.00484 -0.00070 0.00117 C7 1 0.556844 0.180401 0.960069 11.00000 0.02406 0.03241 = 0.02691 0.00088 -0.00026 0.00263 C43 1 0.179610 0.732250 0.452684 11.00000 0.01714 0.03626 = 0.03178 -0.00400 0.00205 0.00139 AFIX 43 H43 2 0.128985 0.734658 0.463648 11.00000 -1.20000 AFIX 0 C46 1 0.326402 0.723428 0.420094 11.00000 0.01859 0.02347 = 0.03688 -0.00332 0.00319 0.00125 AFIX 43 H46 2 0.376863 0.719817 0.409029 11.00000 -1.20000 AFIX 0 C16 1 0.390988 0.484425 1.079490 11.00000 0.02189 0.02775 = 0.04071 0.00319 -0.00064 0.00260 AFIX 43 H16 2 0.362035 0.527922 1.070444 11.00000 -1.20000 AFIX 0 C42 1 0.187234 0.729828 0.413547 11.00000 0.01798 0.03975 = 0.02883 0.00034 -0.00115 -0.00004 AFIX 43 H42 2 0.142029 0.730704 0.397905 11.00000 -1.20000 AFIX 0 C26 1 0.527651 0.142440 0.608713 11.00000 0.02989 0.02920 = 0.02632 0.00859 0.00515 0.00220 AFIX 43 H26 2 0.499235 0.187632 0.616026 11.00000 -1.20000 AFIX 0 C30 1 0.455030 0.315384 0.462252 11.00000 0.02207 0.02718 = 0.02836 -0.00112 0.00036 -0.00312 C14 1 0.467508 0.368587 1.066933 11.00000 0.02912 0.01947 = 0.02572 -0.00276 -0.00264 -0.00346 C10 1 0.501597 0.316678 1.039883 11.00000 0.02991 0.02748 = 0.02646 -0.00184 0.00000 -0.00058 C52 1 0.161243 0.714928 0.576227 11.00000 0.02696 0.02274 = 0.03272 -0.00094 0.00589 0.00230 AFIX 43 H52 2 0.116053 0.694784 0.588428 11.00000 -1.20000 AFIX 0 C4 1 0.603842 0.053748 0.936600 11.00000 0.03356 0.02816 = 0.03361 0.00519 -0.00386 0.00537 AFIX 43 H4A 2 0.614476 0.038730 0.962085 11.00000 -1.20000 AFIX 0 C9 1 0.523739 0.273535 1.014665 11.00000 0.03339 0.02919 = 0.02383 0.00004 -0.00066 -0.00396 C48 1 0.226477 0.652413 0.339431 11.00000 0.01916 0.03495 = 0.03056 -0.00550 0.00345 -0.00292 AFIX 137 H48A 2 0.171354 0.652233 0.346881 11.00000 -1.50000 H48B 2 0.252379 0.606159 0.349902 11.00000 -1.50000 H48C 2 0.230437 0.651699 0.311631 11.00000 -1.50000 AFIX 6 PART 1 O13 5 0.698242 0.198067 0.745470 21.00000 0.06135 0.08407 = 0.03064 0.00069 0.00170 0.04094 H13A 2 0.690568 0.148883 0.750295 21.00000 -1.50000 H13B 2 0.652083 0.219063 0.747216 21.00000 -1.50000 AFIX 0 PART 0 C3 1 0.620702 0.003409 0.907667 11.00000 0.03658 0.02032 = 0.04842 0.00131 -0.00588 0.00366 AFIX 43 H3A 2 0.644622 -0.045390 0.913039 11.00000 -1.20000 AFIX 0 C15 1 0.423874 0.433092 1.054103 11.00000 0.03396 0.03120 = 0.02456 0.00223 -0.00294 -0.00591 AFIX 43 H15 2 0.417100 0.441205 1.027582 11.00000 -1.20000 AFIX 0 C33 1 0.384185 0.498404 0.417487 11.00000 0.03175 0.02600 = 0.03532 -0.00237 0.00138 0.00580 AFIX 43 H33 2 0.361919 0.546649 0.425217 11.00000 -1.20000 AFIX 0 C53 1 0.169884 0.708789 0.536949 11.00000 0.02027 0.02773 = 0.03393 -0.00390 0.00029 -0.00454 AFIX 43 H53 2 0.129938 0.684178 0.522548 11.00000 -1.20000 AFIX 0 C8 1 0.543556 0.224110 0.985829 11.00000 0.02791 0.02761 = 0.02664 0.00065 -0.00301 0.00311 C2 1 0.602831 0.023530 0.870128 11.00000 0.02825 0.03148 = 0.03472 -0.00728 0.00209 -0.00556 C49 1 0.348551 0.725796 0.340177 11.00000 0.01786 0.02891 = 0.02690 -0.00418 0.00618 -0.00096 AFIX 137 H49A 2 0.374897 0.677668 0.348063 11.00000 -1.50000 H49B 2 0.376319 0.770917 0.350687 11.00000 -1.50000 H49C 2 0.348271 0.729098 0.312354 11.00000 -1.50000 AFIX 0 C51 1 0.219542 0.750867 0.597278 11.00000 0.02553 0.02446 = 0.02278 0.00188 0.00086 0.00473 C45 1 0.318148 0.726019 0.459202 11.00000 0.01744 0.03500 = 0.03298 -0.00170 -0.00220 0.00066 AFIX 43 H45 2 0.363386 0.724221 0.474802 11.00000 -1.20000 AFIX 0 C24 1 0.578259 0.059237 0.560093 11.00000 0.02998 0.02588 = 0.04017 -0.00216 0.00351 -0.00273 AFIX 43 H24 2 0.584447 0.046677 0.533952 11.00000 -1.20000 AFIX 0 C58 1 0.141819 0.721468 0.655304 11.00000 0.04890 0.02165 = 0.02674 0.00081 0.01145 -0.00601 AFIX 137 H58A 2 0.096230 0.742769 0.642048 11.00000 -1.50000 H58B 2 0.137869 0.733158 0.682517 11.00000 -1.50000 H58C 2 0.143760 0.664794 0.651635 11.00000 -1.50000 AFIX 0 C34 1 0.403215 0.442686 0.444530 11.00000 0.02934 0.03474 = 0.02884 -0.00226 0.00147 0.00104 AFIX 43 H34 2 0.393457 0.452775 0.470666 11.00000 -1.20000 AFIX 0 C1 1 0.569401 0.095678 0.861981 11.00000 0.02397 0.02959 = 0.02646 -0.00241 0.00125 -0.00360 O7 5 0.577726 0.067456 0.702074 11.00000 0.08010 0.11724 = 0.04623 0.04088 0.01522 0.03146 C55 1 0.292706 0.774135 0.540232 11.00000 0.02077 0.04419 = 0.02638 -0.00210 0.00044 -0.00616 AFIX 43 H55 2 0.337687 0.794984 0.528130 11.00000 -1.20000 AFIX 0 C56 1 0.285188 0.780482 0.579533 11.00000 0.02854 0.04198 = 0.02916 -0.00459 -0.00120 -0.00127 AFIX 43 H56 2 0.324950 0.805029 0.594080 11.00000 -1.20000 AFIX 0 C23 1 0.611245 0.011475 0.587368 11.00000 0.02472 0.02314 = 0.06562 0.00551 0.00034 0.00389 AFIX 43 H23 2 0.640509 -0.033032 0.579855 11.00000 -1.20000 AFIX 0 C22 1 0.601786 0.028280 0.625723 11.00000 0.02422 0.03616 = 0.05724 0.02912 0.00166 0.00162 O15 5 0.401143 0.094702 0.749140 11.00000 0.04200 0.05033 = 0.16369 0.00526 0.00189 0.00362 AFIX 23 H15A 2 0.368737 0.093741 0.725834 11.00000 -1.50000 H15B 2 0.367486 0.090719 0.771944 11.00000 -1.50000 AFIX 0 C59 1 0.282237 0.714330 0.657405 11.00000 0.04915 0.05441 = 0.02804 -0.00380 -0.00693 0.02593 AFIX 137 H59A 2 0.276777 0.715034 0.685145 11.00000 -1.50000 H59B 2 0.331344 0.739688 0.650213 11.00000 -1.50000 H59C 2 0.282429 0.660189 0.648407 11.00000 -1.50000 AFIX 0 C38 1 0.549049 0.116064 0.678230 11.00000 0.03072 0.09804 = 0.03046 0.02851 0.00833 0.01553 PART 2 AFIX 6 O13A 5 10.688971 10.087020 10.747290 -21.00000 0.01840 0.06174 = 0.02350 0.02011 0.00425 -0.00330 H13C 2 0.676818 0.062340 0.768114 -21.00000 -1.50000 H13D 2 0.693369 0.050522 0.730264 -21.00000 -1.50000 AFIX 0 PART 0 NA2 4 0.484232 0.202438 0.751351 11.00000 0.05092 0.03646 = 0.02954 0.00333 -0.00303 -0.00352 NA3 4 0.500000 0.000000 0.748304 10.50000 0.04358 0.04419 = 0.02052 0.00000 0.00000 0.01674 HKLF 4 REM dadsa_hmbc_2_a.res in P-42(1)c REM wR2 = 0.1910, GooF = S = 1.080, Restrained GooF = 1.139 for all data REM R1 = 0.0759 for 10599 Fo > 4sig(Fo) and 0.0780 for all 10998 data REM 716 parameters refined using 12 restraints END WGHT 0.0789 19.3683 REM Highest difference peak 0.984, deepest hole -0.459, 1-sigma level 0.073 Q1 1 0.7377 0.2414 0.7489 11.00000 0.05 0.98 Q2 1 0.5385 0.4536 0.2472 11.00000 0.05 0.37 Q3 1 0.5616 0.0233 0.7018 11.00000 0.05 0.37 Q4 1 0.6813 0.1164 0.7479 11.00000 0.05 0.32 Q5 1 0.3639 0.3392 0.7431 11.00000 0.05 0.31 Q6 1 0.6813 0.2021 0.7463 11.00000 0.05 0.31 Q7 1 0.4036 0.3459 0.7587 11.00000 0.05 0.31 Q8 1 0.6954 0.1194 0.7529 11.00000 0.05 0.31 Q9 1 0.6407 0.3374 0.7531 11.00000 0.05 0.28 REM The information below was added by Olex2. REM REM R1 = 0.0759 for 10599 Fo > 4sig(Fo) and 0.0780 for all 76041 data REM 716 parameters refined using n/a restraints REM Highest difference peak 0.98, deepest hole -0.46 REM Mean Shift 0, Max Shift 0.000. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0780 REM R1_gt = 0.0759 REM wR_ref = 0.1910 REM GOOF = 1.080 REM Shift_max = 0.000 REM Shift_mean = 0 REM Reflections_all = 76041 REM Reflections_gt = 10599 REM Parameters = 716 REM Hole = -0.46 REM Peak = 0.98 REM Flack = n/a ; _cod_data_source_file aw5097sup1.cif _cod_data_source_block dadsa_hmbc_2 _cod_original_cell_volume 10320.10(13) _cod_database_code 2312717 _shelx_shelxl_version_number 2019/3 _chemical_oxdiff_formula 'C39 H36 N2 O9' _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 0.970 _shelx_estimated_absorpt_t_min 0.889 _olex2_refinement_description ; 1. Twinned data refinement Scales: 0.60(16) 0.40(16) 2. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups, All O(H,H) groups 3. Uiso/Uaniso restraints and constraints Uanis(O15) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006 Uanis(O7) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01 4. Others Sof(O13A)=Sof(H13c)=Sof(H13d)=1-FVAR(1) Sof(O13)=Sof(H13a)=Sof(H13b)=FVAR(1) Fixed X: O13A(0.68897) Fixed Y: O13A(0.08702) Fixed Z: O13A(0.74729) 5.a Free rotating group: O17(H17a,H17b), O13(H13a,H13b), O13A(H13c,H13d) 5.b Rotating group: O18(H18a,H18b), O16(H16a,H16b), O14(H14a,H14b) 5.c Secondary CH2 refined with riding coordinates: O15(H15a,H15b) 5.d Aromatic/amide H refined with riding coordinates: C13(H13), C6(H6), C36(H36), C43(H43), C46(H46), C16(H16), C42(H42), C26(H26), C52(H52), C4(H4a), C3(H3a), C15(H15), C33(H33), C53(H53), C45(H45), C24(H24), C34(H34), C55(H55), C56(H56), C23(H23) 5.e Idealised Me refined as rotating group: C57(H57a,H57b,H57c), C47(H47a,H47b,H47c), C48(H48a,H48b,H48c), C49(H49a,H49b, H49c), C58(H58a,H58b,H58c), C59(H59a,H59b,H59c) 5.f Idealised tetrahedral OH refined as rotating group: O12(H12), O4(H4), O3(H3), O8(H8) ; _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 1.632 _oxdiff_exptl_absorpt_empirical_full_min 0.615 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z' 'y, -x, -z' '-y, x, -z' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, x+1/2, 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 Na1 Na 0.500000 0.500000 0.24947(9) 0.0305(6) Uani 1 2 d S T P . . O12 O 0.3774(2) 0.5402(2) 0.35403(11) 0.0309(8) Uani 1 1 d . . . . . H12 H 0.385195 0.524018 0.331795 0.046 Uiso 1 1 calc R U . . . O11 O 0.4226(2) 0.4493(2) 0.30243(10) 0.0294(8) Uani 1 1 d . . . . . O10 O 0.4769(2) 0.3343(2) 0.31674(10) 0.0304(8) Uani 1 1 d . . . . . O5 O 0.4865(3) 0.3347(2) 1.18530(11) 0.0346(9) Uani 1 1 d . . . . . O6 O 0.5783(3) 0.5538(3) 0.19635(11) 0.0344(9) Uani 1 1 d . . . . . O1 O 0.5192(3) 0.1836(3) 0.81547(11) 0.0413(10) Uani 1 1 d . . . . . O18 O 0.5625(2) 0.3791(2) 0.25168(12) 0.0337(8) Uani 1 1 d . . . . . H18A H 0.551208 0.346811 0.230354 0.051 Uiso 1 1 d R U . . . H18B H 0.544504 0.346517 0.272041 0.051 Uiso 1 1 d R U . . . O16 O 0.5750(2) 0.3034(2) 0.74940(13) 0.0381(8) Uani 1 1 d . . . . . H16A H 0.568458 0.333610 0.769201 0.057 Uiso 1 1 d R U . . . H16B H 0.565326 0.333684 0.729910 0.057 Uiso 1 1 d R U . . . N1 N 0.2655(2) 0.7253(2) 0.35471(11) 0.0207(8) Uani 1 1 d . . . . . O4 O 0.3676(2) 0.5257(2) 1.14238(12) 0.0348(9) Uani 1 1 d . . . . . H4 H 0.378786 0.514234 1.164952 0.052 Uiso 1 1 calc R U . . . O3 O 0.6203(3) -0.0275(3) 0.84215(14) 0.0469(11) Uani 1 1 d . . . . . H3 H 0.607512 -0.008383 0.821053 0.070 Uiso 1 1 calc R U . . . O2 O 0.5660(3) 0.0686(4) 0.79604(12) 0.0520(13) Uani 1 1 d . . . . . O8 O 0.6339(3) -0.0200(3) 0.65153(17) 0.0602(16) Uani 1 1 d . . . . . H8 H 0.629337 -0.000494 0.673341 0.090 Uiso 1 1 calc R U . . . O14 O 0.3679(3) 0.2789(3) 0.75228(15) 0.0546(12) Uani 1 1 d . . . . . H14A H 0.311836 0.273697 0.756421 0.082 Uiso 1 1 d R U . . . H14B H 0.372611 0.323907 0.768164 0.082 Uiso 1 1 d R U . . . N2 N 0.2146(3) 0.7577(3) 0.63958(12) 0.0273(9) Uani 1 1 d . . . . . O9 O 0.5115(3) 0.1735(4) 0.68664(12) 0.0605(15) Uani 1 1 d . . . . . O17 O 0.5935(3) 0.7428(3) 0.24984(18) 0.0531(11) Uani 1 1 d G . . . . H17A H 0.596995 0.739137 0.225281 0.080 Uiso 1 1 d G U . . . H17B H 0.543901 0.738772 0.254637 0.080 Uiso 1 1 d G U . . . C41 C 0.2606(3) 0.7261(3) 0.39709(13) 0.0219(9) Uani 1 1 d . . . . . C32 C 0.3975(3) 0.4841(3) 0.37911(15) 0.0227(10) Uani 1 1 d . . . . . C35 C 0.4365(3) 0.3721(3) 0.43363(15) 0.0255(10) Uani 1 1 d . . . . . C13 C 0.4750(3) 0.3565(3) 1.10616(14) 0.0255(10) Uani 1 1 d . . . . . H13 H 0.503071 0.312383 1.115110 0.031 Uiso 1 1 calc R U . . . C54 C 0.2353(3) 0.7376(3) 0.51821(13) 0.0216(9) Uani 1 1 d . . . . . C37 C 0.4454(3) 0.3968(3) 0.32647(14) 0.0246(10) Uani 1 1 d . . . . . C12 C 0.4420(3) 0.4081(3) 1.13240(14) 0.0253(10) Uani 1 1 d . . . . . C5 C 0.5711(3) 0.1272(3) 0.92935(14) 0.0246(10) Uani 1 1 d . . . . . C44 C 0.2447(3) 0.7312(3) 0.47623(13) 0.0205(9) Uani 1 1 d . . . . . C28 C 0.4854(3) 0.2191(3) 0.51638(13) 0.0250(10) Uani 1 1 d . . . . . C31 C 0.4320(3) 0.4135(3) 0.36777(14) 0.0212(9) Uani 1 1 d . . . . . C17 C 0.4515(3) 0.3946(3) 1.17415(15) 0.0288(11) Uani 1 1 d . . . . . C29 C 0.4670(3) 0.2699(3) 0.48764(13) 0.0251(10) Uani 1 1 d . . . . . C6 C 0.5537(3) 0.1477(3) 0.89204(13) 0.0237(10) Uani 1 1 d . . . . . H6 H 0.531114 0.197174 0.886788 0.028 Uiso 1 1 calc R U . . . C18 C 0.5495(3) 0.1192(4) 0.82193(16) 0.0334(12) Uani 1 1 d . . . . . C57 C 0.2163(3) 0.8413(3) 0.65160(15) 0.0289(11) Uani 1 1 d . . . . . H57A H 0.173516 0.869566 0.639231 0.043 Uiso 1 1 calc R U . . . H57B H 0.266245 0.864662 0.644193 0.043 Uiso 1 1 calc R U . . . H57C H 0.210219 0.844563 0.679269 0.043 Uiso 1 1 calc R U . . . C36 C 0.4511(3) 0.3584(3) 0.39516(14) 0.0232(9) Uani 1 1 d . . . . . H36 H 0.474376 0.310551 0.387601 0.028 Uiso 1 1 calc R U . . . C47 C 0.2248(3) 0.7966(3) 0.33895(15) 0.0296(11) Uani 1 1 d . . . . . H47A H 0.248964 0.843761 0.349447 0.044 Uiso 1 1 calc R U . . . H47B H 0.169506 0.795149 0.346012 0.044 Uiso 1 1 calc R U . . . H47C H 0.229605 0.797040 0.311183 0.044 Uiso 1 1 calc R U . . . C11 C 0.4000(3) 0.4728(3) 1.11861(15) 0.0282(11) Uani 1 1 d . . . . . C21 C 0.5597(3) 0.0951(4) 0.63688(16) 0.0330(12) Uani 1 1 d . . . . . C27 C 0.5058(3) 0.1762(3) 0.54164(13) 0.0248(10) Uani 1 1 d . . . . . C25 C 0.5359(3) 0.1257(3) 0.57034(14) 0.0239(10) Uani 1 1 d . . . . . C7 C 0.5568(3) 0.1804(3) 0.96007(14) 0.0278(10) Uani 1 1 d . . . . . C43 C 0.1796(3) 0.7323(3) 0.45268(15) 0.0284(10) Uani 1 1 d . . . . . H43 H 0.128985 0.734658 0.463648 0.034 Uiso 1 1 calc R U . . . C46 C 0.3264(3) 0.7234(3) 0.42009(15) 0.0263(10) Uani 1 1 d . . . . . H46 H 0.376863 0.719817 0.409029 0.032 Uiso 1 1 calc R U . . . C16 C 0.3910(3) 0.4844(3) 1.07949(16) 0.0301(11) Uani 1 1 d . . . . . H16 H 0.362035 0.527922 1.070444 0.036 Uiso 1 1 calc R U . . . C42 C 0.1872(3) 0.7298(3) 0.41355(14) 0.0288(11) Uani 1 1 d . . . . . H42 H 0.142029 0.730704 0.397905 0.035 Uiso 1 1 calc R U . . . C26 C 0.5277(3) 0.1424(3) 0.60871(14) 0.0285(11) Uani 1 1 d . . . . . H26 H 0.499235 0.187632 0.616026 0.034 Uiso 1 1 calc R U . . . C30 C 0.4550(3) 0.3154(3) 0.46225(14) 0.0259(10) Uani 1 1 d . . . . . C14 C 0.4675(3) 0.3686(3) 1.06693(14) 0.0248(10) Uani 1 1 d . . . . . C10 C 0.5016(3) 0.3167(3) 1.03988(14) 0.0280(10) Uani 1 1 d . . . . . C52 C 0.1612(3) 0.7149(3) 0.57623(15) 0.0275(10) Uani 1 1 d . . . . . H52 H 0.116053 0.694784 0.588428 0.033 Uiso 1 1 calc R U . . . C4 C 0.6038(3) 0.0537(3) 0.93660(16) 0.0318(11) Uani 1 1 d . . . . . H4A H 0.614476 0.038730 0.962085 0.038 Uiso 1 1 calc R U . . . C9 C 0.5237(3) 0.2735(3) 1.01466(14) 0.0288(11) Uani 1 1 d . . . . . C48 C 0.2265(3) 0.6524(3) 0.33943(15) 0.0282(11) Uani 1 1 d . . . . . H48A H 0.171354 0.652233 0.346881 0.042 Uiso 1 1 calc R U . . . H48B H 0.252379 0.606159 0.349902 0.042 Uiso 1 1 calc R U . . . H48C H 0.230437 0.651699 0.311631 0.042 Uiso 1 1 calc R U . . . O13 O 0.6982(4) 0.1981(4) 0.74547(18) 0.059(2) Uani 0.788(10) 1 d G . P A 1 H13A H 0.690568 0.148883 0.750295 0.088 Uiso 0.788(10) 1 d G U P A 1 H13B H 0.652083 0.219063 0.747216 0.088 Uiso 0.788(10) 1 d G U P A 1 C3 C 0.6207(4) 0.0034(3) 0.90767(17) 0.0351(12) Uani 1 1 d . . . . . H3A H 0.644622 -0.045390 0.913039 0.042 Uiso 1 1 calc R U . . . C15 C 0.4239(3) 0.4331(3) 1.05410(15) 0.0299(11) Uani 1 1 d . . . . . H15 H 0.417100 0.441205 1.027582 0.036 Uiso 1 1 calc R U . . . C33 C 0.3842(3) 0.4984(3) 0.41749(16) 0.0310(11) Uani 1 1 d . . . . . H33 H 0.361919 0.546649 0.425217 0.037 Uiso 1 1 calc R U . . . C53 C 0.1699(3) 0.7088(3) 0.53695(15) 0.0273(10) Uani 1 1 d . . . . . H53 H 0.129938 0.684178 0.522548 0.033 Uiso 1 1 calc R U . . . C8 C 0.5436(3) 0.2241(3) 0.98583(14) 0.0274(10) Uani 1 1 d . . . . . C2 C 0.6028(3) 0.0235(3) 0.87013(16) 0.0315(12) Uani 1 1 d . . . . . C49 C 0.3486(3) 0.7258(3) 0.34018(14) 0.0246(10) Uani 1 1 d . . . . . H49A H 0.374897 0.677668 0.348063 0.037 Uiso 1 1 calc R U . . . H49B H 0.376319 0.770917 0.350687 0.037 Uiso 1 1 calc R U . . . H49C H 0.348271 0.729098 0.312354 0.037 Uiso 1 1 calc R U . . . C51 C 0.2195(3) 0.7509(3) 0.59728(13) 0.0243(10) Uani 1 1 d . . . . . C45 C 0.3181(3) 0.7260(3) 0.45920(15) 0.0285(10) Uani 1 1 d . . . . . H45 H 0.363386 0.724221 0.474802 0.034 Uiso 1 1 calc R U . . . C24 C 0.5783(3) 0.0592(3) 0.56009(17) 0.0320(11) Uani 1 1 d . . . . . H24 H 0.584447 0.046677 0.533952 0.038 Uiso 1 1 calc R U . . . C58 C 0.1418(4) 0.7215(3) 0.65530(15) 0.0324(12) Uani 1 1 d . . . . . H58A H 0.096230 0.742769 0.642048 0.049 Uiso 1 1 calc R U . . . H58B H 0.137869 0.733158 0.682517 0.049 Uiso 1 1 calc R U . . . H58C H 0.143760 0.664794 0.651635 0.049 Uiso 1 1 calc R U . . . C34 C 0.4032(3) 0.4427(3) 0.44453(15) 0.0310(11) Uani 1 1 d . . . . . H34 H 0.393457 0.452775 0.470666 0.037 Uiso 1 1 calc R U . . . C1 C 0.5694(3) 0.0957(3) 0.86198(15) 0.0267(10) Uani 1 1 d . . . . . O7 O 0.5777(4) 0.0675(5) 0.70207(16) 0.081(2) Uani 1 1 d . U . . . C55 C 0.2927(3) 0.7741(4) 0.54023(15) 0.0304(11) Uani 1 1 d . . . . . H55 H 0.337687 0.794984 0.528130 0.037 Uiso 1 1 calc R U . . . C56 C 0.2852(3) 0.7805(4) 0.57953(15) 0.0332(12) Uani 1 1 d . . . . . H56 H 0.324950 0.805029 0.594080 0.040 Uiso 1 1 calc R U . . . C23 C 0.6112(3) 0.0115(3) 0.5874(2) 0.0378(13) Uani 1 1 d . . . . . H23 H 0.640509 -0.033032 0.579855 0.045 Uiso 1 1 calc R U . . . C22 C 0.6018(3) 0.0283(4) 0.6257(2) 0.0392(14) Uani 1 1 d . . . . . O15 O 0.4011(3) 0.0947(3) 0.7491(3) 0.0853(17) Uani 1 1 d . U . . . H15A H 0.368737 0.093741 0.725834 0.128 Uiso 1 1 calc R U . . . H15B H 0.367486 0.090719 0.771944 0.128 Uiso 1 1 calc R U . . . C59 C 0.2822(4) 0.7143(4) 0.65740(16) 0.0439(16) Uani 1 1 d . . . . . H59A H 0.276777 0.715034 0.685145 0.066 Uiso 1 1 calc R U . . . H59B H 0.331344 0.739688 0.650213 0.066 Uiso 1 1 calc R U . . . H59C H 0.282429 0.660189 0.648407 0.066 Uiso 1 1 calc R U . . . C38 C 0.5490(4) 0.1161(6) 0.67823(18) 0.053(2) Uani 1 1 d . . . . . O13A O 0.688971 0.087020 0.747290 0.035(5) Uani 0.212(10) 1 d G . P A 2 H13C H 0.676818 0.062340 0.768114 0.052 Uiso 0.212(10) 1 d G U P A 2 H13D H 0.693369 0.050522 0.730264 0.052 Uiso 0.212(10) 1 d G U P A 2 Na2 Na 0.48423(14) 0.20244(13) 0.75135(7) 0.0390(5) Uani 1 1 d . . . . . Na3 Na 0.500000 0.000000 0.74830(9) 0.0361(7) Uani 1 2 d S T P . . 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 Na1 0.0348(14) 0.0339(14) 0.0227(11) 0.000 0.000 -0.0043(12) O12 0.034(2) 0.0257(19) 0.0327(19) 0.0051(15) -0.0057(16) 0.0058(15) O11 0.032(2) 0.029(2) 0.0272(17) 0.0060(15) -0.0039(15) 0.0015(16) O10 0.041(2) 0.0240(19) 0.0262(17) 0.0007(14) 0.0029(15) 0.0042(15) O5 0.045(2) 0.030(2) 0.0295(18) 0.0005(15) -0.0038(17) 0.0047(17) O6 0.039(2) 0.037(2) 0.0272(18) 0.0067(17) -0.0038(16) 0.0035(18) O1 0.043(3) 0.055(3) 0.0265(19) 0.0044(18) -0.0008(17) 0.009(2) O18 0.0333(19) 0.0356(19) 0.0323(18) -0.0010(18) 0.0015(18) -0.0004(15) O16 0.048(2) 0.035(2) 0.0314(18) -0.0016(19) 0.000(2) 0.0040(16) N1 0.0168(18) 0.0220(19) 0.0232(18) -0.0008(15) 0.0009(15) 0.0065(15) O4 0.037(2) 0.029(2) 0.038(2) -0.0016(16) 0.0078(18) 0.0084(16) O3 0.047(3) 0.041(3) 0.053(3) -0.018(2) 0.005(2) 0.005(2) O2 0.050(3) 0.080(4) 0.0259(19) -0.023(2) -0.0011(19) 0.007(3) O8 0.039(3) 0.063(3) 0.078(3) 0.048(3) 0.002(3) 0.013(2) O14 0.088(4) 0.035(2) 0.040(2) 0.003(2) -0.005(3) -0.001(2) N2 0.033(2) 0.024(2) 0.0250(19) -0.0014(16) 0.0027(17) 0.0080(18) O9 0.055(3) 0.104(5) 0.022(2) 0.003(2) 0.003(2) 0.009(3) O17 0.067(3) 0.036(2) 0.057(3) 0.000(2) 0.003(3) -0.010(2) C41 0.021(2) 0.020(2) 0.024(2) -0.0020(18) 0.0023(18) 0.0008(18) C32 0.019(2) 0.015(2) 0.034(2) 0.0026(18) -0.0017(19) 0.0027(17) C35 0.020(2) 0.025(2) 0.032(2) 0.002(2) -0.0001(19) 0.0010(18) C13 0.025(2) 0.022(2) 0.030(2) -0.0023(19) 0.0005(19) -0.0025(19) C54 0.019(2) 0.021(2) 0.025(2) -0.0017(18) -0.0006(17) 0.0002(18) C37 0.022(2) 0.022(2) 0.030(2) 0.0035(19) -0.0024(19) -0.0026(18) C12 0.022(2) 0.024(2) 0.029(3) -0.0016(19) 0.0015(19) -0.0059(19) C5 0.024(2) 0.027(2) 0.023(2) -0.0002(19) 0.0006(18) 0.0003(19) C44 0.020(2) 0.020(2) 0.022(2) -0.0011(17) -0.0006(17) 0.0035(18) C28 0.024(2) 0.028(2) 0.023(2) -0.0035(19) -0.0009(18) 0.0015(19) C31 0.017(2) 0.020(2) 0.027(2) 0.0019(18) 0.0001(17) -0.0016(17) C17 0.029(3) 0.030(3) 0.026(2) -0.005(2) 0.002(2) -0.007(2) C29 0.026(2) 0.027(2) 0.023(2) -0.0005(19) 0.0007(18) -0.0008(19) C6 0.025(2) 0.022(2) 0.024(2) -0.0022(18) 0.0001(19) 0.0015(19) C18 0.029(3) 0.044(3) 0.027(2) -0.002(2) 0.000(2) -0.007(2) C57 0.031(3) 0.027(3) 0.029(2) -0.001(2) 0.004(2) -0.002(2) C36 0.020(2) 0.022(2) 0.028(2) -0.0006(19) -0.0035(18) -0.0021(18) C47 0.029(3) 0.027(3) 0.032(3) 0.005(2) 0.004(2) 0.009(2) C11 0.024(2) 0.029(3) 0.032(3) -0.003(2) 0.004(2) -0.006(2) C21 0.024(3) 0.044(3) 0.031(3) 0.017(2) 0.003(2) 0.001(2) C27 0.026(2) 0.026(2) 0.022(2) -0.0022(19) -0.0012(19) 0.0027(19) C25 0.020(2) 0.019(2) 0.032(2) 0.0048(19) -0.0007(19) 0.0012(18) C7 0.024(2) 0.032(3) 0.027(2) 0.001(2) -0.0003(19) 0.003(2) C43 0.017(2) 0.036(3) 0.032(2) -0.004(2) 0.0021(19) 0.001(2) C46 0.019(2) 0.023(2) 0.037(3) -0.003(2) 0.0032(19) 0.0013(18) C16 0.022(2) 0.028(3) 0.041(3) 0.003(2) -0.001(2) 0.003(2) C42 0.018(2) 0.040(3) 0.029(2) 0.000(2) -0.0011(19) 0.000(2) C26 0.030(3) 0.029(3) 0.026(2) 0.009(2) 0.005(2) 0.002(2) C30 0.022(2) 0.027(2) 0.028(2) -0.001(2) 0.0004(19) -0.0031(19) C14 0.029(3) 0.019(2) 0.026(2) -0.0028(18) -0.0026(19) -0.0035(19) C10 0.030(3) 0.027(2) 0.026(2) -0.002(2) 0.000(2) -0.001(2) C52 0.027(2) 0.023(2) 0.033(2) -0.001(2) 0.006(2) 0.0023(19) C4 0.034(3) 0.028(3) 0.034(3) 0.005(2) -0.004(2) 0.005(2) C9 0.033(3) 0.029(3) 0.024(2) 0.000(2) -0.001(2) -0.004(2) C48 0.019(2) 0.035(3) 0.031(2) -0.005(2) 0.0034(19) -0.003(2) O13 0.061(4) 0.084(5) 0.031(3) 0.001(3) 0.002(3) 0.041(3) C3 0.037(3) 0.020(2) 0.048(3) 0.001(2) -0.006(3) 0.004(2) C15 0.034(3) 0.031(3) 0.025(2) 0.002(2) -0.003(2) -0.006(2) C33 0.032(3) 0.026(3) 0.035(3) -0.002(2) 0.001(2) 0.006(2) C53 0.020(2) 0.028(3) 0.034(3) -0.004(2) 0.0003(19) -0.0045(19) C8 0.028(3) 0.028(3) 0.027(2) 0.001(2) -0.0030(19) 0.003(2) C2 0.028(3) 0.031(3) 0.035(3) -0.007(2) 0.002(2) -0.006(2) C49 0.018(2) 0.029(3) 0.027(2) -0.0042(19) 0.0062(18) -0.0010(19) C51 0.026(2) 0.024(2) 0.023(2) 0.0019(18) 0.0009(19) 0.0047(19) C45 0.017(2) 0.035(3) 0.033(3) -0.002(2) -0.0022(19) 0.001(2) C24 0.030(3) 0.026(3) 0.040(3) -0.002(2) 0.004(2) -0.003(2) C58 0.049(3) 0.022(3) 0.027(2) 0.001(2) 0.011(2) -0.006(2) C34 0.029(3) 0.035(3) 0.029(3) -0.002(2) 0.001(2) 0.001(2) C1 0.024(2) 0.030(3) 0.026(2) -0.002(2) 0.001(2) -0.004(2) O7 0.080(4) 0.117(5) 0.046(3) 0.041(3) 0.015(3) 0.031(4) C55 0.021(2) 0.044(3) 0.026(2) -0.002(2) 0.0004(19) -0.006(2) C56 0.029(3) 0.042(3) 0.029(2) -0.005(2) -0.001(2) -0.001(2) C23 0.025(3) 0.023(3) 0.066(4) 0.006(3) 0.000(3) 0.004(2) C22 0.024(3) 0.036(3) 0.057(4) 0.029(3) 0.002(3) 0.002(2) O15 0.042(2) 0.050(3) 0.164(4) 0.005(3) 0.002(3) 0.004(2) C59 0.049(4) 0.054(4) 0.028(3) -0.004(3) -0.007(3) 0.026(3) C38 0.031(3) 0.098(6) 0.030(3) 0.029(4) 0.008(3) 0.016(4) O13A 0.018(8) 0.062(12) 0.024(8) 0.020(9) 0.004(7) -0.003(7) Na2 0.0509(13) 0.0365(11) 0.0295(10) 0.0033(10) -0.0030(11) -0.0035(9) Na3 0.0436(16) 0.0442(16) 0.0205(12) 0.000 0.000 0.0167(14) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _diffrn_refln_index_h _diffrn_refln_index_k _diffrn_refln_index_l _diffrn_refln_intensity_net _diffrn_refln_intensity_u 0 0 -2 981.47 37.15 0 0 2 928.14 37.14 0 0 -3 0.14 0.25 0 0 3 0.22 0.27 0 0 -4 1056.74 40.44 0 0 4 1018.76 40.44 0 0 5 -0.2 0.21 0 0 -5 0.47 0.47 0 0 5 0.13 0.46 0 0 6 124.54 4.83 0 0 -6 118.71 4.94 0 0 6 120.34 4.93 0 0 7 0.55 0.29 0 0 -7 0.02 0.65 0 0 7 0.21 0.65 0 0 8 85.58 3.39 0 0 -8 79.37 3.61 0 0 8 86.01 3.6 0 0 9 0.84 0.4 0 0 -9 1.23 0.94 0 0 9 2.22 0.98 0 0 10 6884.55 263.78 0 0 -10 6540.99 263.94 0 0 10 6738.35 263.94 0 0 -11 0.42 0.86 0 0 11 0.07 0.37 0 0 11 0.36 0.82 0 0 -12 2827.31 112.43 0 0 12 2936.35 112.43 0 0 -13 0.58 0.94 0 0 13 0.51 0.9 0 0 -14 2115.3 83.78 0 0 14 2172.95 83.8 0 0 -15 0.49 0.99 0 0 15 0.06 1.03 0 0 16 1615.15 62.76 0 0 -16 1600.5 62.86 0 0 16 1592.04 62.88 0 0 17 1.8 0.87 0 0 -17 1.68 1.09 0 0 17 0.47 1.07 0 0 -18 5169.8 196.31 0 0 18 5048.03 196.18 0 0 18 4876.77 196.29 0 0 19 0.33 0.77 0 0 -19 0.08 1.07 0 0 19 0.08 1.14 0 0 20 1626.29 64.33 0 0 -20 1659.3 64.47 0 0 21 1.21 0.88 0 0 -21 0.43 1.08 0 0 22 612.12 24.32 0 0 -22 607.26 24.47 0 0 23 0.63 0.86 0 0 -23 0.34 1.09 0 0 -24 74.92 3.92 0 0 24 80.43 3.76 0 0 25 -0.57 0.9 0 0 25 0.02 0.82 0 0 -25 -0.05 0.55 0 0 -25 0.06 1.12 0 0 -25 0.54 0.53 0 0 -26 78.5 3.92 0 0 26 73.87 3.32 0 0 -26 73.56 3.16 0 0 26 78.36 3.7 0 0 -26 75 3.17 0 0 27 1.57 0.97 0 0 -27 0.41 0.58 0 0 -27 1.69 0.63 0 0 27 0.75 0.91 0 0 -27 0.12 1.2 0 0 -28 589.41 22.96 0 0 28 559.83 22.28 0 0 -28 565.29 22.15 0 0 -28 558.77 22.15 0 0 -29 0.91 1.25 0 0 29 1.44 1.02 0 0 -29 1.42 0.66 0 0 -29 0.25 0.65 0 0 -30 440.97 17.24 0 0 -30 431.23 18.35 0 0 -30 447.67 18.07 0 0 -30 427.81 17.23 0 0 30 442.8 17.39 0 0 -31 0.34 0.67 0 0 -31 -0.18 0.69 0 0 -31 1.15 1.57 0 0 31 -0.02 1.05 0 0 -32 27.82 1.46 0 0 -32 22.85 2.42 0 0 -32 27.36 1.43 0 0 32 26.42 1.76 0 0 -33 1.4 0.73 0 0 -33 0.79 1.51 0 0 -33 0.85 0.67 0 0 33 0.68 1.09 0 0 33 -0.5 1.02 0 0 -34 501.52 19.81 0 0 -34 504.79 19.82 0 0 34 503.66 19.97 0 0 -35 0.1 0.64 0 0 -35 0.8 0.72 0 0 35 -0.04 1.11 0 0 -36 2.65 0.68 0 0 -36 2.64 0.76 0 0 36 2.52 1.1 0 0 -37 0.29 0.61 0 0 37 1.28 1.09 0 0 -37 -0.58 0.69 0 0 -38 96.4 3.94 0 0 38 96.43 4.14 0 0 -38 94.38 3.96 0 0 -39 0.07 0.61 0 0 39 0.33 0.94 0 0 -39 -0.54 0.54 0 0 -40 0.98 0.58 0 0 -41 1.48 0.51 0 0 41 1.55 0.46 0 0 -42 338.81 13.61 0 0 42 354.65 13.6 0 0 -43 1.21 0.36 0 0 43 0.37 0.32 0 0 44 68.26 2.73 -1 0 0 -0.01 0.12 0 -1 1 0.19 0.21 -1 0 -1 0.18 0.16 -1 0 -1 0.13 0.14 -1 0 1 0.29 0.14 -1 0 -2 0.03 0.18 1 0 2 -0.03 0.18 -1 0 2 0.16 0.21 -1 0 3 0.71 0.33 0 1 3 0.5 0.16 0 -1 -3 0.61 0.33 -1 0 -3 0.71 0.21 1 0 3 0.59 0.27 1 0 -4 9.02 0.52 0 -1 -4 7.55 0.6 -1 0 4 8.48 0.58 -1 0 -4 9.22 0.45 1 0 4 8.18 0.56 -1 0 -5 1.43 0.53 0 -1 -5 1.3 0.48 1 0 -5 1.68 0.45 -1 0 5 1.64 0.46 1 0 5 1.47 0.48 -1 0 -6 2.66 0.6 0 -1 -6 2.44 0.6 1 0 -6 3.03 0.55 -1 0 6 2.57 0.54 1 0 6 2.72 0.56 -1 0 -7 0.17 0.68 0 -1 -7 0.18 0.67 1 0 -7 0.2 0.61 -1 0 7 0.01 0.56 1 0 7 0.17 0.62 -1 0 8 4.36 0.76 1 0 -8 4.41 0.81 -1 0 -8 4.12 0.81 0 -1 -8 4.13 0.95 0 -1 8 1.54 0.95 1 0 8 4.16 0.82 -1 0 9 3.97 0.78 -1 0 -9 2.32 0.96 1 0 -9 1.92 0.9 0 -1 -9 2.01 1.07 0 -1 9 -0.77 1.07 1 0 9 1.89 0.86 0 1 9 5.32 1.12 1 0 -10 6.29 0.97 -1 0 -10 6.04 1.04 0 -1 -10 5.19 1.01 0 -1 10 6.79 0.62 -1 0 10 6.72 0.85 0 -1 10 4.29 1.02 1 0 10 7.01 0.99 1 0 -11 6.5 0.9 0 -1 -11 5.51 0.97 0 -1 11 5.59 0.6 -1 0 -11 5.53 0.94 0 1 -11 6.12 0.94 1 0 11 5.81 0.44 -1 0 11 4.76 0.8 1 0 11 5.86 0.92 0 1 11 6.05 0.95 0 -1 11 5 1 -1 0 12 1.82 0.76 1 0 12 1.46 0.34 0 -1 -12 1.33 0.91 1 0 -12 1.32 0.8 0 1 -12 1.8 0.91 0 -1 12 1.64 0.5 -1 0 -12 1.59 0.99 -1 0 -12 1.47 0.39 0 1 12 1.82 0.89 0 -1 12 1.78 0.94 1 0 12 1.99 0.91 -1 0 13 2.1 0.77 0 1 13 2.49 0.7 -1 0 -13 2.19 0.38 0 -1 13 2.17 0.52 -1 0 -13 2.18 0.96 0 1 -13 2.9 0.98 0 -1 -13 2.55 0.94 1 0 13 2.24 0.36 1 0 -13 1.76 0.83 0 1 13 1.57 0.93 1 0 13 1.41 0.91 1 0 -14 18.13 1.35 0 -1 -14 18.06 1.41 -1 0 -14 18.31 1.47 0 1 -14 19.28 1.45 1 0 14 18.34 0.87 0 -1 14 20.7 1.02 0 1 14 18.52 1.17 -1 0 14 18.08 1.26 -1 0 -14 16.05 0.85 1 0 14 19.05 1.43 0 1 14 18.38 1.41 0 -1 15 7.23 0.63 1 0 -15 6.53 1.06 -1 0 -15 6.72 1.18 0 1 -15 6.83 1.16 0 -1 -15 6.84 1.14 -1 0 -15 5.69 0.45 -1 0 15 8.05 0.97 0 1 15 8.14 0.89 0 1 15 8.15 1.16 1 0 15 7.22 1.16 0 1 16 2.93 1.08 1 0 16 2.89 1.07 -1 0 -16 2.95 1.14 0 1 -16 1.83 1.08 0 -1 -16 1.44 1.01 1 0 -16 2.61 1.03 0 1 16 3.34 0.8 -1 0 16 2.75 0.88 1 0 17 1.28 1.09 0 1 17 2.21 1.07 1 0 -17 4.86 1.11 -1 0 -17 3.6 1.15 0 -1 -17 3.77 1.11 0 1 -17 3.41 1.1 0 1 17 2.6 0.76 -1 0 17 3.22 0.92 1 0 18 2.33 1.17 0 1 18 2.04 1.15 1 0 -18 2.43 1.02 0 -1 -18 2.31 1.11 -1 0 -18 2.45 1.16 0 1 -18 2.31 1.11 -1 0 18 2.26 0.93 0 1 18 2.69 0.81 0 -1 18 2.9 0.96 1 0 19 3.19 1.21 0 1 19 3.89 1.2 0 1 -19 4.78 1.23 -1 0 -19 4.29 1.25 1 0 -19 4.45 1.13 0 -1 -19 4.93 1.15 -1 0 19 4.43 0.98 0 -1 19 3.84 1 0 1 19 4.56 0.85 0 1 20 6.64 1.31 -1 0 -20 5.66 1.27 1 0 -20 5.25 1.15 0 -1 -20 5.98 1.25 0 1 -20 6.43 1.26 0 -1 20 6.8 1.04 0 1 20 6.51 0.93 -1 0 20 4.93 0.99 1 0 20 4.74 0.98 0 1 21 3.2 1.22 1 0 -21 3.1 1.1 0 1 -21 4.39 1.19 0 -1 -21 3.2 1.16 -1 0 -21 2.44 1.17 0 -1 21 3.85 1.02 1 0 21 3.16 0.89 0 1 21 3.91 0.86 -1 0 21 2.87 0.95 0 1 22 4.8 1.3 -1 0 -22 5.54 1.28 0 -1 -22 4.84 1.2 0 1 -22 5.49 1.25 1 0 -22 6.9 1.21 0 1 22 5.96 0.93 0 -1 22 5.69 1.11 1 0 22 4.41 0.99 -1 0 22 5.31 1.06 0 1 23 -0.21 1.2 -1 0 -23 -0.05 1.11 0 1 -23 0.75 1.1 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4.72 0 2 -26 99.08 4.69 -2 0 -26 95.76 3.9 0 -2 -26 91.26 3.88 0 2 -26 93.02 3.9 2 0 -26 91.55 3.87 0 -2 -26 94.27 3.88 -2 0 -26 89.63 3.89 0 2 26 96.02 4.06 2 0 26 92.02 4.03 2 0 26 99.04 4.41 0 -2 26 100.58 4.57 -2 0 -26 96.82 4.96 -2 0 -27 10.04 1.58 -2 0 -27 14.24 2 2 0 -27 12.49 0.86 -2 0 -27 13.53 0.94 0 -2 -27 11.09 0.88 0 -2 -27 11.86 0.85 -2 0 -27 12.51 0.91 2 0 -27 12.27 0.85 0 2 -27 11.46 0.9 0 2 27 11.08 1.15 2 0 27 11.71 1.2 2 0 -27 13.01 1.5 0 2 -27 13.89 1.66 0 -2 27 14.17 1.56 -2 0 -28 5.13 1.42 0 2 -28 5.39 1.37 -2 0 -28 5.53 1.76 -2 0 28 4.26 1.18 -2 0 -28 4.23 0.74 0 -2 -28 3.23 0.69 2 0 -28 5.19 0.67 0 -2 -28 3.67 0.67 2 0 -28 4.52 0.67 0 2 -28 4.15 0.7 -2 0 -28 4.03 0.73 0 2 28 3.9 1.02 2 0 28 4.11 1.02 2 0 -28 4.12 1.22 0 -2 28 6.46 1.31 -2 0 -29 68.59 4.08 0 -2 -29 73.13 4.06 -2 0 29 66.48 3.45 0 -2 -29 70.03 2.95 -2 0 -29 68.08 2.98 0 -2 -29 68.1 2.97 2 0 -29 67.7 2.93 -2 0 -29 72.54 3.88 0 2 -29 70.31 3.78 -2 0 -29 67.52 2.96 2 0 -29 68.41 2.94 0 2 -29 66.1 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459.46 18.07 -4 2 2 481.81 18.15 -4 2 -2 474.63 18.15 -4 -2 -2 442.23 18.14 -2 -4 2 461.05 18.07 2 -4 2 447.14 18.21 -2 -4 -2 463.35 18.19 -2 -4 -3 19.33 1.04 -4 2 -3 19.74 1.42 -2 4 -3 13 1.18 -4 2 -3 22.35 1.13 -2 -4 3 20.75 1.18 -2 -4 3 19.96 0.85 -2 4 3 13.25 0.82 -4 -2 3 13.87 0.96 -4 -2 -3 12.83 0.95 -4 2 -3 21.85 1.01 -4 2 3 20.33 1 -2 -4 4 1892.29 74.46 -4 2 -4 2013.29 74.43 -4 2 -4 2012.36 74.58 -2 4 -4 1930.87 74.5 -2 -4 4 1856.87 74.46 -2 -4 -4 1864.06 74.38 -2 4 4 1946.83 74.31 -4 -2 4 1885.19 74.37 -2 -4 4 1837.31 74.31 -4 2 4 1937.19 74.38 -4 2 -5 18.28 1.26 -2 -4 5 18.61 1.34 -4 2 -5 19.52 1.62 -2 4 -5 32.24 1.54 -2 -4 -5 17.31 1.12 -2 -4 5 18.25 1.29 -4 -2 5 32.55 1.25 -2 -4 5 21.14 1.08 -2 4 5 32.59 1.14 -4 2 5 19.46 1.19 -4 2 -6 209.09 8.12 -2 -4 6 192.8 8.18 -2 4 6 195.72 8.01 -4 2 -6 208.98 8.34 -4 -2 -6 202.83 8.21 -2 4 -6 196.27 8.25 -2 -4 6 192.35 8.17 -2 -4 -6 194.48 8.02 -4 -2 6 206.05 8.08 -4 2 6 206.93 8.08 -2 4 6 215.24 8.02 -2 -4 6 203.98 8.01 -4 2 -7 9.8 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0.56 4 10 -36 10.99 0.66 -10 -4 -36 10.92 0.61 -4 -10 -36 8.54 0.5 4 -10 36 11.46 0.69 10 -4 36 10.19 0.61 4 10 -37 0.26 0.25 -4 10 -37 0.34 0.34 -10 4 37 0.78 0.5 10 -4 37 0.18 0.3 4 10 -37 0.14 0.37 -10 -4 37 0.04 0.26 -4 10 -38 27.95 1.26 -10 4 38 29.64 1.32 4 -10 39 0.9 0.28 -10 5 0 72.96 3.67 -10 -5 0 91.89 3.76 -10 5 0 76.94 3.42 -5 10 0 97.36 3.44 -5 10 0 98.63 3.57 -5 -10 0 79.22 4.14 -5 -10 0 72.76 3.45 -5 10 0 88.24 3.88 -5 10 0 90.48 3.64 -10 5 0 73.16 3.56 -10 5 1 317.21 13.14 -10 -5 1 327.22 13.16 -5 10 1 329.16 12.88 -10 5 1 333.65 12.89 -5 10 -1 343.52 12.99 -5 10 1 339.15 12.99 -5 -10 1 335.33 13.6 -5 -10 -1 333.32 13.62 -5 -10 1 318.17 12.91 -5 -10 -1 314.32 12.91 -5 10 1 326.19 13.27 -5 10 -1 309.44 13.26 -5 10 1 333.57 13.04 -5 10 -1 325.49 13.03 -10 5 1 328.67 13.02 -10 5 -1 321.85 13.02 -10 5 2 3.84 0.87 -10 -5 2 9.48 0.97 -5 10 2 8.77 0.61 -10 5 2 5.28 0.62 -5 10 2 8.82 0.79 -10 5 2 4.68 0.61 -5 10 -2 8.57 0.77 5 -10 -2 8.8 1.12 -5 -10 2 3 1.28 -5 -10 -2 6 1.48 -5 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3 -5 99.67 4.08 -12 3 -5 97.16 4.03 3 -12 5 94.49 3.96 -12 3 5 89.18 3.93 -3 12 5 99.79 4.06 -3 12 -5 91.93 4.02 -12 3 5 94.88 4.01 -3 12 5 97.61 4.03 -12 3 -5 93.31 4.02 -3 12 -5 92.99 4.04 -3 -12 -5 92.76 4.39 3 -12 -5 93.13 4.64 -3 -12 5 99.47 4.7 -3 -12 -5 90.79 4.81 -12 -3 5 94.43 4.08 -12 3 5 95.15 4.08 -12 -3 -5 86.11 3.99 -12 3 -5 84.75 3.99 -12 3 5 98.76 3.88 -12 -3 5 97.65 3.89 -12 3 -5 100.89 3.91 -12 3 5 98.45 3.91 3 -12 -5 93.26 3.95 -3 12 5 83.38 4.21 -3 -12 5 96.21 3.97 -12 -3 -6 8.19 0.83 -12 -3 6 18.71 0.88 -12 -3 -6 17.24 0.87 -12 3 6 14.92 1.3 -12 -3 6 9.84 1.22 -3 12 6 8.72 1.02 3 12 -6 14.86 1.02 -12 3 -6 15.62 1.12 -12 3 -6 15.43 1.07 3 -12 6 10.21 0.94 -12 3 6 12.88 0.95 -3 12 -6 8.7 0.94 -3 12 6 9.82 1.02 -3 12 -6 10.27 1.04 -3 12 6 9.5 0.99 -12 3 -6 14.47 1.05 -3 -12 -6 13.36 1.25 -3 -12 6 16.18 1.66 3 -12 -6 9.02 1.52 -3 -12 -6 14.66 1.9 -12 -3 6 9.45 1.1 -12 3 6 16.29 1.15 -12 3 6 14.39 0.84 -12 -3 6 9.33 0.81 -12 3 -6 15.93 0.89 -12 3 6 15.47 0.88 3 -12 -6 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8.51 0.75 -4 12 -21 0.49 0.69 4 12 -21 2.13 0.71 4 12 -21 1.53 0.82 -4 12 -21 0.68 0.74 -4 12 21 1.64 0.62 4 -12 21 1.34 0.83 -12 4 -21 2.39 0.99 -12 4 21 1.67 0.96 -12 -4 21 0.97 0.99 4 12 21 -0.13 1.19 -4 12 21 0.97 1.28 -4 -12 21 1.22 0.7 -4 12 -21 1.61 1.11 4 -12 21 1.14 1.17 4 -12 21 0.67 1.31 -12 -4 21 0.67 0.75 -12 4 -21 1.34 0.77 -12 -4 21 0.92 1.02 -12 4 21 0.71 1 -4 12 21 1.52 0.66 -12 -4 -21 0.88 0.7 -12 -4 -21 0.47 0.62 -12 4 21 1.14 0.55 -12 -4 21 1.18 0.61 -4 -12 22 4.37 0.74 -12 4 22 4.19 0.62 -12 -4 22 5.09 0.67 -12 -4 22 6.28 0.83 -12 4 -22 4.17 0.84 -4 -12 22 4.7 0.71 -12 -4 22 6.16 1.07 -12 4 22 4.56 1.05 -12 -4 -22 5.2 0.79 -12 -4 -22 5.26 0.71 -4 12 -22 6.01 0.81 4 12 -22 3.82 0.87 -4 12 22 5.43 0.71 4 -12 22 6.53 0.91 4 12 -22 4.47 0.75 -4 12 -22 5.47 0.76 -4 -12 23 2.53 0.67 -12 4 23 2.77 0.58 -12 -4 23 2 0.59 -12 4 -23 2.41 0.79 -4 -12 23 1.95 0.63 -12 -4 23 1.64 0.99 -12 4 23 1.65 0.99 -12 -4 -23 2.48 0.74 -12 -4 -23 2.31 0.65 4 12 -23 3.24 0.83 -4 12 -23 2.16 0.75 -4 12 23 2.05 0.61 4 12 -23 2.07 0.66 -4 12 -23 2.17 0.69 4 -12 23 2.06 0.84 -12 4 24 5.14 0.61 -12 -4 24 6.14 0.67 -12 4 -24 5.33 0.85 -4 -12 24 4.89 0.67 -12 -4 24 4.41 1.05 -12 4 24 4.38 1.05 -12 -4 -24 5.71 0.79 -12 -4 -24 5.2 0.72 4 12 -24 5.53 0.86 -4 12 -24 5.88 0.81 -4 12 24 5.79 0.66 -4 12 -24 6.62 0.76 4 12 -24 6.77 0.74 4 -12 24 7.21 0.92 -4 -12 24 6.14 0.75 -12 4 25 2.94 0.57 -12 -4 25 3.02 0.6 -12 4 -25 4.24 0.81 -4 -12 25 3.63 0.6 -12 -4 25 3.73 1.01 -12 4 25 3.12 0.99 4 -12 25 2.75 0.83 -4 -12 25 3.73 0.67 -4 12 -25 4.13 0.75 4 12 -25 2.81 0.8 -4 12 -25 3.02 0.68 4 12 -25 4.24 0.68 -12 -4 -25 3.39 0.75 -12 -4 -25 3.33 0.66 -12 4 26 1.87 0.52 -12 -4 26 1.41 0.56 -12 4 -26 1.95 0.75 -4 -12 26 1.65 0.53 -12 -4 26 1.39 0.95 -12 4 26 1.48 0.94 4 -12 26 1.19 0.77 -4 -12 26 1.3 0.6 -4 12 -26 2.08 0.69 4 12 -26 2.18 0.74 -12 -4 -26 1.63 0.7 -12 -4 -26 1.11 0.61 -4 12 -26 1.67 0.64 4 12 -26 1.4 0.59 -12 4 -27 1.21 0.75 -4 -12 27 0.71 0.49 -12 -4 27 0.15 0.9 -12 4 27 0.63 0.92 4 -12 27 0.15 0.73 -4 12 -27 0.16 0.61 4 12 -27 0.8 0.54 -4 12 -27 0.37 0.66 4 12 -27 0.75 0.72 -12 -4 -27 0.04 0.67 -12 -4 -27 0.62 0.6 -12 4 27 0.27 0.48 -12 -4 27 0.89 0.52 4 12 -28 31 1.43 -12 -4 28 32.3 1.69 -12 4 28 30.37 1.68 -4 -12 28 25.63 1.36 -12 4 -28 31.29 1.54 4 -12 28 34.24 1.59 -4 12 -28 30.37 1.49 4 12 -28 31.73 1.53 -12 -4 -28 33.21 1.52 -12 -4 -28 32.71 1.47 -12 4 28 29.52 1.39 -12 -4 28 30.27 1.41 -12 4 29 4.3 0.53 -12 -4 29 5.73 0.56 -12 4 -29 3.33 0.72 -12 -4 29 6.53 0.9 -12 4 29 4.77 0.9 4 -12 29 5.82 0.77 -12 -4 -29 6.63 0.65 4 12 -29 4.35 0.56 4 -12 29 7.01 0.97 4 12 -29 4.32 0.7 -4 12 -29 6.38 0.67 4 12 -30 6.48 0.67 -4 12 -30 4.73 0.63 4 -12 30 4.44 0.7 -12 4 -30 5.87 0.7 -12 -4 30 5.57 0.85 -12 4 30 5.97 0.88 4 -12 30 5.05 0.9 -12 4 30 5.25 0.51 -12 -4 30 4.68 0.53 -4 12 -31 3.55 0.54 4 12 -31 4.67 0.57 4 -12 31 3.49 0.64 -12 4 31 2.47 0.44 -12 -4 31 2.12 0.45 -12 4 -31 3.79 0.61 -12 -4 31 3.29 0.74 -12 4 31 4.03 0.79 4 -12 31 2.69 0.81 4 -12 32 3.76 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1.04 -12 5 1 13.82 1.04 -12 5 -1 13.42 1.13 -12 -5 1 11.83 0.8 -5 -12 1 12.87 0.82 -12 -5 -1 11.67 0.8 -5 -12 -1 14.15 0.83 -5 12 1 12.87 1.04 5 12 -1 12.95 1 -5 12 1 13.13 1.05 5 12 1 13.5 1.03 -5 12 -1 14.47 1.08 -12 5 1 12.48 1.1 -5 12 -1 15.22 1.06 -12 5 -1 13.82 0.87 -12 5 1 13.41 0.88 -12 5 -1 13.35 1.1 -5 12 1 14.35 1.14 -12 5 1 13.49 1.08 -5 12 -1 12.23 1.11 -5 -12 -1 14.43 1.75 -12 -5 -1 10.56 0.99 -12 5 -1 12.19 1.02 -12 -5 1 11.56 1.04 -12 5 1 11.93 1.02 -12 5 1 13.04 0.78 -12 -5 1 14.03 0.79 -12 5 1 13.33 0.85 -5 12 1 12.86 0.84 5 -12 -1 12.76 0.89 -5 -12 1 12.09 0.94 -5 12 1 13.54 1.33 -5 12 -1 10.55 1.35 -5 -12 -1 13 0.95 5 -12 1 11.9 0.88 -5 12 2 5.52 0.63 -12 5 2 6.2 0.69 -12 -5 2 5.34 0.53 -12 -5 2 4.51 0.57 5 12 -2 7.12 0.82 5 12 2 6.63 0.87 -5 12 2 5.41 0.88 -12 -5 -2 3.98 0.57 -5 -12 2 5.16 0.59 -5 12 2 3.79 0.83 -12 5 -2 6.85 0.86 -5 12 -2 5.43 0.84 -12 5 2 6.21 0.84 -12 5 2 6.52 0.72 -12 5 -2 6.85 0.95 -12 5 -2 6.82 0.64 -12 5 2 6.93 0.93 -12 5 2 6.46 0.89 -5 12 -2 4.1 0.95 -12 5 -2 4.84 0.88 -5 12 2 5.15 0.93 -5 12 -2 6.02 0.84 -5 -12 -2 7.41 1.55 -12 -5 -2 4.31 0.79 -12 5 -2 4.62 0.78 -12 -5 2 4.65 0.83 -12 5 2 3.9 0.84 -12 5 2 6.5 0.98 -12 -5 2 4.85 0.98 -12 5 2 6.55 0.58 -12 -5 2 5.48 0.59 -5 12 -2 4.95 1.12 5 -12 -2 5.65 0.68 -5 -12 2 6.24 0.73 -5 12 2 5.39 1.06 -5 -12 -2 5.88 0.76 5 -12 2 5.47 0.69 -5 12 3 62.2 2.52 -12 5 3 60.68 2.53 -12 5 -3 58.73 2.53 -5 12 3 58.64 2.69 5 12 -3 57.75 2.63 -12 5 3 58.38 2.67 -5 12 -3 61.22 2.69 -12 5 -3 61.52 2.69 -5 -12 3 57.51 2.5 -12 -5 3 56.56 2.47 -12 -5 3 55.5 2.49 -12 -5 -3 54.03 2.49 -12 5 -3 59.69 2.76 -5 12 3 60.3 2.71 -12 5 3 60.99 2.73 -12 5 3 56.15 2.54 -5 12 -3 62.68 2.65 -12 5 -3 60.74 2.51 -12 5 -3 60.86 2.72 -5 12 3 61.81 2.73 -12 5 3 61.71 2.71 -5 12 -3 62.67 2.76 -5 -12 -3 61.91 3.46 -12 -5 -3 56.58 2.62 -12 5 -3 51.74 2.61 -12 -5 3 57.94 2.69 -12 5 3 59.73 2.69 -12 5 3 60.25 2.89 -12 -5 3 56 2.87 -12 5 3 58.93 2.48 -12 -5 3 61.1 2.49 -5 -12 3 61.34 2.6 -5 12 3 54.74 2.93 5 -12 -3 63.1 2.57 5 -12 3 60.58 2.57 -5 12 -3 54.73 3.03 -5 12 4 1.57 0.54 -5 12 -4 1.31 0.54 -5 12 4 1.79 0.76 -12 5 -4 1.48 0.6 -12 5 4 1.07 0.54 -12 -5 4 2.05 0.48 -12 -5 4 2.39 0.5 -5 -12 4 1.25 0.48 -12 5 4 1.64 0.81 -12 5 -4 2.24 0.88 -12 5 4 1.33 0.63 -12 5 4 1.17 0.73 -5 12 -4 1.28 0.73 -12 5 4 0.96 0.79 -5 12 -4 1.95 0.86 -12 5 -4 1.25 0.82 -5 12 4 2.35 0.83 -5 12 -4 3.1 0.75 5 -12 -4 1.7 0.96 -5 -12 -4 1.09 1.35 -12 5 4 0.67 0.77 -12 -5 4 1.62 0.81 -12 5 4 2.18 0.88 -12 -5 4 2.23 0.9 -12 5 4 1.92 0.49 -12 -5 4 2.13 0.51 -5 12 -4 3.78 1.11 5 -12 4 2.37 0.63 -5 -12 4 1.06 0.63 5 -12 -4 2.52 0.63 -5 12 4 3.31 0.99 -5 12 5 12.71 1.02 -5 12 -5 12.77 1.02 -5 12 5 12.49 0.81 -5 12 -5 12.57 0.82 -12 5 -5 12.24 0.86 -12 5 5 13.04 0.82 -12 -5 5 13.55 0.78 -12 -5 5 12.9 0.77 -5 -12 5 11.68 0.76 -12 5 -5 12.07 1.13 -5 12 -5 14.53 0.99 -12 5 5 11.27 0.88 -12 5 5 10.34 0.99 5 -12 5 13.23 0.91 -5 12 -5 13.87 1.14 -12 5 -5 11.08 1.07 -5 12 5 13.45 1.09 -12 5 5 12.39 1.07 5 -12 -5 14.5 1.44 -5 -12 -5 11.75 1.76 -12 5 5 11.07 1.03 -12 -5 5 12.9 1.09 -12 5 5 12.12 1.19 -12 -5 5 14.45 1.24 -12 5 5 11.19 0.76 -12 -5 5 13 0.79 -5 -12 5 12.11 0.92 -5 12 5 10.05 1.17 -5 12 -5 12.34 1.39 5 -12 -5 12.67 0.9 -5 12 6 86.88 3.62 -5 12 -6 90.41 3.65 -5 -12 6 79.14 3.44 -12 -5 6 85.12 3.46 -12 -5 6 85.43 3.45 -5 12 6 87.73 3.48 -12 5 -6 83.06 3.48 -12 5 6 81.44 3.48 -5 12 -6 83.32 3.48 -12 5 -6 80.2 3.69 5 -12 6 88.46 3.54 -12 5 6 76.81 3.61 -12 5 6 77.09 3.52 -5 12 -6 88.27 3.59 -5 12 -6 91.95 3.72 -12 5 -6 78.35 3.65 -5 12 6 94.36 3.69 -12 5 6 83.07 3.64 5 -12 -6 89.35 4.13 -5 -12 -6 80.38 4.42 -12 -5 6 89.62 3.68 -12 5 6 79.8 3.63 -12 5 6 78.5 3.82 -12 -5 6 88.52 3.91 -12 5 6 79.11 3.43 -12 -5 6 88.5 3.46 -5 12 6 83.96 3.85 -5 -12 6 80.63 3.53 -5 12 -6 81.93 4.04 -12 5 7 27.28 1.75 -12 -5 7 31.43 1.86 -12 -5 7 30.93 1.39 -12 -5 7 30.38 1.37 -5 -12 7 27.43 1.36 -12 -5 7 30.47 1.41 -12 5 -7 26.17 1.66 -12 5 7 28.34 1.48 -5 12 -7 30.21 1.52 -5 12 7 31.05 1.59 -5 12 -7 30.39 1.61 -5 12 -7 30.21 1.41 -5 12 7 31.69 1.39 -12 5 -7 28.39 1.43 -12 5 7 27.73 1.4 -12 5 -7 25.85 1.62 -12 5 7 28.94 1.63 -5 12 -7 31.83 1.71 -5 12 7 35.1 1.68 5 -12 -7 29.03 2.04 -5 -12 -7 30.91 2.45 -12 -5 7 29.87 1.64 -12 5 7 26.32 1.61 5 -12 7 31.2 1.49 -12 5 -7 26.96 1.62 -12 5 7 25.67 1.56 -12 5 7 27.82 1.36 -12 -5 7 31.62 1.4 -5 -12 7 26.3 1.47 -5 12 -7 27.92 2.01 -5 12 7 28.49 1.74 -12 -5 8 9.82 1.12 -12 5 8 6.01 0.99 -12 -5 8 6.98 0.62 -5 -12 8 6.16 0.6 -12 -5 8 7.25 0.68 -12 5 8 6.67 0.88 5 -12 8 7.58 0.78 -12 5 -8 6.06 0.93 -5 12 8 8.71 0.89 -5 12 -8 5.88 0.89 -12 -5 8 7.06 0.65 -12 5 8 7.54 0.83 -12 5 -8 7 1.03 -5 12 -8 7.56 0.81 -12 5 -8 6.23 0.96 5 -12 -8 6.97 1.27 -5 -12 -8 5.11 1.61 -12 5 8 6.73 0.93 -12 -5 8 7 0.97 -12 5 8 6.99 0.62 -12 -5 8 8.11 0.66 -5 12 -8 6.97 0.69 -5 12 8 7.87 0.65 -12 5 -8 6.82 0.71 -12 5 8 6.53 0.68 -5 12 8 6.37 0.94 -5 -12 8 7.25 0.77 -5 12 -9 29.03 1.61 -12 -5 9 28.94 1.4 -5 12 9 29.24 1.58 -12 -5 9 28.98 1.44 -12 5 -9 29.47 1.73 -12 5 9 27.09 1.59 -12 5 -9 30.46 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7.33 0.98 -5 -12 27 6.89 0.65 -12 5 -27 6.74 0.81 -12 -5 27 7.01 0.94 5 -12 27 8.4 0.88 -12 -5 -27 6.89 0.71 -12 5 27 7.16 0.6 -12 -5 27 6.94 0.62 -5 12 -27 7.21 0.71 5 12 -27 8.39 0.78 12 -5 27 7.45 0.84 5 12 -28 10.91 0.68 -12 5 28 11.12 1.01 -12 -5 28 8.83 0.97 -5 -12 28 9.08 0.69 -12 5 -28 11.39 0.87 -12 5 28 9.52 0.65 -12 -5 28 9.39 0.68 12 -5 28 10.71 0.85 -12 -5 -28 9.96 0.76 -5 12 -28 9.89 0.75 5 12 -28 11.29 0.81 5 -12 28 9.28 0.87 -12 5 29 1.69 0.44 -12 -5 29 1.17 0.45 5 -12 29 3.49 0.69 -5 -12 29 1.19 0.42 -12 5 29 1.4 0.77 -12 5 -29 0.77 0.63 5 12 -29 3.14 0.6 -5 12 -29 1.78 0.55 5 -12 29 2.01 0.89 -12 5 30 1.79 0.41 -12 -5 30 2.38 0.44 5 -12 30 3.16 0.64 -12 5 30 2.58 0.74 -12 5 -30 2 0.62 -5 12 -30 3.26 0.53 5 12 -30 3.39 0.55 5 -12 30 3.58 0.84 -12 -5 31 0.47 0.38 5 -12 31 1.49 0.57 -5 12 -31 1.23 0.46 5 12 -31 1.32 0.46 -12 5 -31 1.29 0.54 -12 5 31 0.7 0.66 5 -12 31 1.25 0.76 5 -12 32 0.24 0.5 -12 5 32 0.89 0.59 -12 -5 32 0.36 0.33 -5 12 -32 0.27 0.41 5 12 -32 0.47 0.39 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49.69 1.94 -6 12 1 40.62 1.9 -12 6 -1 44.04 2.11 -6 12 -1 41 2.1 -12 6 1 44.29 2.1 6 -12 1 42.53 1.92 6 -12 -1 43.38 1.93 -6 12 -1 39.17 2.4 -6 -12 1 46.63 2 -6 12 1 41.35 2.38 -12 -6 -2 56.62 2.59 -6 -12 2 61.25 2.61 -12 6 -2 63.86 2.87 -6 -12 -2 58.37 2.6 -6 12 2 60.58 2.81 -6 12 2 64.12 2.79 -12 6 2 59.53 2.78 -6 12 -2 57.61 2.78 -12 6 -2 59.96 2.78 -12 6 2 61.36 2.64 -12 6 -2 63.84 2.6 -12 6 2 63.4 2.86 -6 12 -2 62.39 2.86 -12 6 -2 60.66 2.83 -6 12 2 59.31 2.83 -12 6 2 63.13 2.82 -6 -12 -2 64.65 3.53 -12 -6 -2 62.6 2.7 -12 6 -2 55.28 2.67 -12 -6 2 55.22 2.72 -12 6 2 58.36 2.74 -6 12 2 64.53 2.61 -12 6 2 62.7 2.63 -12 -6 2 58.52 2.59 -12 -6 2 64.48 2.57 -6 12 2 56.54 3.05 -6 12 -2 58.29 3.12 6 -12 -2 64.29 2.63 -6 -12 2 61.78 2.67 6 -12 2 62.74 2.63 -12 -6 3 4.92 0.64 -6 -12 3 6.76 0.67 -12 -6 3 6.43 0.6 -12 6 3 7.03 0.93 -12 6 -3 8.51 0.96 -6 12 3 4.23 0.86 -12 6 -3 7.54 1.07 -12 -6 -3 3.42 0.63 -6 12 -3 4.39 0.87 -6 12 3 4.26 0.93 -12 6 3 6.99 0.78 -12 6 -3 7.04 0.66 -12 6 3 7.07 1.03 -6 12 -3 3.79 1.01 -12 6 3 7.65 1.02 -12 6 -3 5.84 1.02 -6 12 3 4.19 0.97 -6 -12 -3 7.42 1.6 -12 -6 3 4.63 0.86 -12 6 3 7.1 0.88 -12 6 3 7.52 0.6 -12 -6 3 6.41 0.6 -6 12 3 5.96 0.69 -12 6 3 7.5 0.73 6 -12 3 4.96 0.68 -6 -12 3 7.22 0.77 6 -12 -3 5.07 0.68 -6 12 3 5.58 1.09 -6 12 -3 6.77 1.2 -12 6 -4 75.15 3.21 -12 6 4 77.7 3.2 -6 12 -4 74.66 3.18 -6 12 4 75.27 3.18 -6 -12 4 75.33 3.17 -12 -6 4 78.73 3.18 -12 -6 4 77.17 3.16 -6 12 -4 75.44 3.35 -12 6 4 72.09 3.35 -12 6 -4 76.52 3.37 -6 12 4 76.1 3.32 -6 12 -4 71.94 3.33 -12 6 -4 75.91 3.42 -6 12 4 71.98 3.38 -12 6 -4 75.77 3.15 -12 6 4 74.9 3.22 -6 12 -4 79.73 3.44 -12 6 -4 75.02 3.4 -6 12 4 76.13 3.4 -12 6 4 78.39 3.38 -6 -12 -4 80.63 4.14 -12 -6 4 71.96 3.31 -12 6 4 72.51 3.31 -12 6 4 72.91 3.51 -12 -6 4 84.16 3.6 -12 6 4 76.46 3.12 -12 -6 4 79.65 3.14 -6 -12 4 76.62 3.24 -6 12 -4 68.84 3.7 -6 12 4 67.6 3.57 6 -12 4 78.31 3.22 -6 12 5 19.93 1.23 -12 6 -5 30.14 1.31 -12 6 5 28.82 1.29 -6 12 -5 19.19 1.24 -6 -12 5 29.51 1.24 -12 -6 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5.79 1.11 -12 -8 1 7.63 0.74 -12 8 -2 16.7 1.37 -8 12 -2 17.67 1.38 -8 12 2 17.96 1.4 -12 8 2 17.05 1.37 -8 12 2 14.83 1.48 -8 12 -2 17.65 1.6 -8 12 2 17.66 1.04 -12 8 2 16.15 1.04 -8 12 -2 18.51 1.22 8 12 2 19.2 1.17 -8 12 2 17.92 1.16 -8 12 2 15.66 1.3 -8 12 -2 16.24 1.27 -12 8 2 17.56 1.29 -12 8 -2 16.51 1.29 -12 -8 -2 15.02 1.01 -8 -12 -2 17.19 1.05 -12 8 -2 14.55 1.39 -8 -12 2 15.56 1.02 -12 -8 2 16.26 1 -12 8 -2 15.91 1.01 -12 8 2 15.99 1.07 -8 12 -3 12.89 1.35 -8 12 3 13.52 1.35 -12 8 3 19.1 1.38 -12 8 -3 19.57 1.41 -8 12 -3 13.72 1.53 -8 12 3 14.44 0.99 -12 8 3 19.35 1.06 -8 12 3 14.16 1.13 -8 12 -3 13.91 1.18 -8 12 -3 13.74 1.22 -12 8 3 16.81 1.27 -12 8 -3 20.46 1.33 -12 8 -3 20.94 1.44 -12 -8 -3 11.74 1 -8 -12 -3 19.73 1.06 -8 12 3 12.72 1.24 -12 -8 3 13.58 0.97 -8 -12 3 19.73 1.03 -12 8 3 19.75 1.1 -12 8 -3 19.48 1 -12 8 4 66.77 3.01 -12 8 -4 65.5 2.93 -8 12 4 70.74 3.21 -12 8 -4 68.36 3.25 -12 -8 -4 67.11 2.97 -8 12 -4 77.55 3.28 -12 8 -4 68.67 3.23 -8 12 4 74.39 3.25 -12 8 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0.95 -13 -4 4 2.58 0.99 -13 4 -4 1.02 0.51 4 13 -4 0.59 0.75 -4 13 4 1.24 0.83 4 13 4 1.1 0.87 -13 4 -4 2.2 0.7 -13 4 4 1.15 0.65 -13 -4 4 1 0.46 -13 -4 4 0.75 0.47 -13 -4 -4 0.01 0.48 -4 -13 4 0.66 0.48 -4 13 4 1.77 0.78 -4 13 -4 0.82 0.72 -13 4 -4 1.19 0.79 -13 4 4 1.08 0.72 -13 4 -4 2.01 0.93 -13 4 4 0.9 0.75 -13 4 4 1.72 0.68 -4 13 4 0.86 0.81 -13 4 4 0.06 0.78 -4 13 -4 0.48 0.83 -13 4 -4 1.85 0.82 -4 13 -4 1.2 0.76 -4 -13 4 0.26 1.2 4 -13 -4 0.51 1.1 -13 -4 -4 37.15 1.3 -13 4 -4 14.04 1.04 -13 -4 4 0.49 0.9 -13 4 4 0.1 0.85 -13 4 4 1.22 0.54 -13 -4 4 1.28 0.56 -4 13 4 1.22 0.6 4 -13 4 1 0.68 -4 -13 4 0.94 0.71 -4 13 4 0.54 0.9 4 -13 -4 1.17 0.68 -4 13 -5 71.53 3.32 -4 13 5 72.88 3.32 -13 4 -5 83.35 3.37 -13 4 5 82.99 3.36 -13 -4 5 67.14 3.27 -4 13 5 68.31 3.46 4 13 -5 76.17 3.46 4 13 5 83.86 3.55 -4 13 -5 74.62 3.45 -13 4 5 76.48 3.46 -13 -4 5 68.79 3.27 -4 -13 5 79.59 3.29 -13 4 5 79.04 3.47 -13 4 -5 85.61 3.57 -13 -4 -5 62 3.27 -4 13 -5 72.7 3.44 -13 4 5 77.51 3.38 -13 4 -5 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14 -7 8.9 1.03 -14 4 -7 9.24 0.97 4 -14 -7 7.11 1.36 -14 4 7 8.2 1.12 -14 -4 7 7.5 1.1 -14 4 7 10.13 0.73 -14 -4 7 8.94 0.75 -4 14 -7 8.58 0.78 -4 14 7 8.77 0.77 -4 -14 7 10.04 0.93 4 -14 7 10.25 0.91 -14 4 8 64.66 3.18 -14 -4 8 65.04 3.23 -14 -4 8 55.97 2.7 -14 4 -8 61.59 2.74 -4 14 8 64.87 2.94 -4 14 -8 62.43 2.95 4 14 -8 64.89 2.87 4 14 8 69.03 3.02 -14 4 8 68.23 2.76 -14 4 -8 71.71 2.79 -14 4 8 62.68 2.85 -14 -4 -8 57.76 2.68 4 14 8 67.36 2.99 -4 14 -8 60.01 2.85 -4 14 -8 59.96 2.91 -14 4 -8 64.4 2.94 -4 14 -8 65.65 2.95 -14 4 -8 65.8 2.89 4 -14 -8 64.76 3.49 -14 -4 8 62.81 3 -14 4 8 66.81 3 -14 4 8 67.07 2.72 -14 -4 8 68.67 2.75 -4 14 -8 64.23 2.74 -4 14 8 65.25 2.74 -4 -14 8 65.78 2.84 4 -14 8 66.34 2.84 -14 4 9 2.87 0.96 -14 -4 9 3.08 1.08 -14 -4 9 2.89 0.56 -14 4 -9 3.12 0.64 -4 14 -9 2.56 0.92 -4 14 9 3.83 0.92 4 14 9 4.65 1.05 -14 4 -9 3.85 0.69 -14 4 9 4.46 0.65 -4 -14 9 3.26 0.55 -14 -4 -9 2.93 0.51 -4 14 -9 2.22 0.86 -4 14 -9 3.13 0.62 -4 14 9 2.94 0.63 -4 14 -9 3.72 0.93 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0.82 -4 -14 11 2.92 0.77 -14 -4 11 4.58 1.08 -14 4 11 4.38 1.03 -14 4 11 3.79 0.62 -14 -4 11 4.34 0.64 4 -14 11 4.46 1.14 -4 14 -11 4 0.62 -4 14 11 3.47 0.58 -14 4 11 3.58 0.95 -14 -4 11 3.85 1.08 -4 14 -12 17.97 1.3 -4 14 12 18.51 1.27 -14 4 12 18.57 1.15 -14 -4 12 17.66 1.07 -14 4 -12 18.53 1.13 -4 14 -12 18.44 1.18 -4 -14 12 19.42 1.01 -14 4 -12 17.99 1.37 4 -14 12 19.06 1.22 4 14 12 17.07 1.26 -14 4 -12 18.44 1.08 -14 4 12 18.13 1.05 -4 14 -12 19.82 1.36 -14 4 -12 16.78 1.24 4 -14 12 16.62 1.71 -4 14 -12 17.45 1.73 -4 -14 12 18.37 1.19 -14 -4 12 19.15 1.45 -14 4 12 16.87 1.38 -14 4 12 18.12 1.04 -14 -4 12 18.53 1.07 -4 14 -12 19.95 1.04 -4 14 12 20.87 1.03 -14 4 12 16.96 1.44 -14 -4 12 18.28 1.54 -4 -14 13 9.44 0.7 -4 14 13 10.03 1 -4 14 -13 10.32 1.06 -14 4 13 9 0.84 -4 14 -13 9.08 0.92 -14 -4 13 8.81 0.79 -14 4 -13 9.96 0.87 -14 4 -13 9.25 1.1 4 -14 13 9.27 0.95 -14 4 -13 8.64 0.77 -14 4 13 8.76 0.74 4 14 13 9.6 0.99 -4 14 -13 11.01 1.09 -14 4 -13 9.48 0.99 -4 14 -13 9.23 1.42 -4 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1.52 1.03 -14 4 15 1.43 0.57 -14 -4 15 0.15 0.6 -4 14 -15 1.14 0.49 -4 14 15 0.86 0.46 4 -14 15 0.59 1.13 -4 14 -15 2.49 1.18 -4 -14 15 0.51 0.71 4 -14 15 1.15 0.8 -4 14 -16 1.55 0.81 -4 14 16 3.13 0.82 -4 14 -16 1.93 0.71 -14 4 16 1.45 0.49 -14 4 -16 1.9 0.82 -4 -14 16 2.1 0.72 4 -14 16 2.44 0.82 -14 -4 16 2.39 1.04 -14 4 16 2.02 0.98 -4 14 -16 2.16 0.49 -14 4 16 1.71 0.58 -14 -4 16 1.52 0.61 -4 -14 16 2.06 0.5 -4 14 -16 1.83 0.73 4 14 -16 1.8 0.76 -14 4 -16 3.33 1.06 -14 -4 16 1.91 0.65 -14 4 -16 2.73 0.75 -4 14 -17 0.2 0.7 4 14 -17 0.15 0.73 -4 14 -17 -0.07 0.7 -4 -14 17 -0.31 0.69 4 -14 17 1.28 0.8 -14 4 17 0.98 0.94 -14 -4 17 0.62 0.99 -14 4 17 0.8 0.57 -14 -4 17 0.88 0.59 -14 4 -17 0.38 0.77 -4 14 17 1.43 0.79 -4 14 -17 0.66 0.79 -14 -4 17 0.49 0.65 -14 4 -17 0.76 0.75 -4 14 -18 3.01 0.7 4 14 -18 1.32 0.73 -4 14 -18 1.65 0.71 -14 4 -18 1.13 0.78 -4 -14 18 1.27 0.69 4 -14 18 2.23 0.81 -14 4 18 2.02 0.97 -14 -4 18 1.45 0.99 -14 4 18 0.87 0.56 -14 -4 18 1.59 0.6 -14 4 -18 1.07 0.74 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1.46 0.91 -14 4 23 0.64 0.5 -14 -4 23 0.91 0.54 -4 -14 23 0.62 0.52 -4 -14 23 1.15 0.6 4 -14 23 1.05 0.73 -4 14 -23 1.79 0.62 4 14 -23 1.2 0.61 4 14 -23 0.82 0.74 -4 14 -23 1.17 0.65 4 -14 24 19.29 1.14 -14 -4 24 18.82 1.26 -14 4 24 17.01 1.26 -14 4 24 16.81 0.93 -14 -4 24 18.97 0.97 -4 14 -24 17.83 1.03 4 14 -24 18.78 1.02 -14 4 -24 16.19 1.15 -4 -14 24 15.81 0.94 4 14 -24 18.25 1.13 -4 14 -24 17.46 1.04 -4 14 24 18.36 0.95 -4 -14 25 0.66 0.44 -14 4 -25 1.64 0.73 -14 4 25 2.05 0.84 -14 -4 25 2.58 0.84 4 14 25 2.07 0.86 -4 14 -25 1.5 0.6 4 14 -25 1.75 0.68 4 -14 25 1.99 0.69 -14 4 25 0.95 0.46 -14 -4 25 1.02 0.49 -4 14 -25 1.63 0.58 4 14 -25 1.56 0.54 -4 14 -26 4.77 0.6 4 14 -26 4.24 0.55 4 14 -26 3.66 0.66 -4 14 -26 5.35 0.63 -14 4 26 4.18 0.85 -14 -4 26 5.93 0.85 -14 -4 26 5.22 0.53 -14 4 26 2.64 0.49 4 -14 26 6.04 0.72 4 14 26 3.84 0.85 -14 4 -26 3.97 0.76 -14 4 -27 1.65 0.65 4 -14 27 2.26 0.62 -14 -4 27 1.12 0.74 -14 4 27 2.41 0.77 4 14 27 1.71 0.75 4 14 -27 3.03 0.6 -4 14 -27 2.13 0.54 -4 14 -27 1.42 0.5 4 14 -27 1.89 0.46 4 -14 27 2.69 0.74 -14 4 27 1.82 0.42 -14 -4 27 1.73 0.45 -14 4 -28 21.41 1.06 -14 -4 28 18.1 1.13 -14 4 28 21.77 1.15 4 14 28 20.63 1.13 4 -14 28 20.76 1.05 -4 14 -28 17.81 0.96 4 14 -28 20.92 1.02 -4 14 -28 16.01 1.03 4 -14 28 18.75 1.13 -14 4 28 18.77 0.9 -14 -4 28 16.75 0.9 -14 4 -29 5 0.62 -14 4 29 7.02 0.72 -14 4 29 5.3 0.44 -14 -4 29 4.76 0.45 -4 14 -29 4.28 0.57 4 -14 29 5.8 0.59 4 -14 29 4.31 0.7 4 14 29 5.97 0.68 -4 14 -29 5.79 0.53 4 14 -29 6.26 0.56 -14 4 30 3.57 0.6 4 -14 30 4.31 0.63 4 -14 30 4.97 0.53 -4 14 -30 4.1 0.45 4 14 -30 4.71 0.48 -14 -4 30 3.83 0.38 -14 4 31 0.83 0.48 4 -14 31 1.23 0.39 4 14 -31 0.76 0.34 -14 -4 31 0.63 0.27 4 14 -32 4.66 0.34 4 -14 32 5.84 0.42 -14 4 32 4.68 0.46 -14 5 0 5.84 0.81 -5 14 0 6.72 0.92 -5 14 0 6.49 1 -14 5 0 5.5 0.97 5 -14 0 5.61 0.78 -5 -14 0 4.99 0.89 -5 14 0 4.53 1.14 -14 5 0 5.33 0.92 -14 -5 0 5.87 0.92 -5 14 0 5.88 0.7 -14 5 0 7.25 0.81 -14 5 0 5.97 0.99 5 14 0 7.01 0.97 -14 -5 0 6.51 0.63 -14 -5 0 6.66 0.55 -5 -14 0 6.79 0.68 -14 5 1 40.09 2.01 -14 5 -1 39.34 2.04 -5 14 1 36.39 2.27 5 -14 1 39.56 1.86 -5 14 -1 34.04 2.29 5 -14 -1 40.46 1.88 -5 -14 1 39.51 1.92 -14 -5 -1 47.39 2.02 -14 5 -1 35.78 1.93 -14 -5 1 35.1 1.95 -14 5 1 34.59 1.95 -5 14 1 40.08 1.81 -14 5 1 39.83 1.84 -5 14 -1 40.63 1.99 -14 5 1 39.94 1.98 -5 14 1 40.09 2 -5 14 -1 42.44 2.04 -14 5 -1 38.09 1.99 -5 14 1 41.34 2.04 -14 5 1 38.43 1.98 -14 5 1 35.66 1.84 -14 5 -1 35.26 1.9 5 14 1 39.09 2.01 5 14 -1 39.19 1.98 -5 14 1 39.88 2.05 -14 -5 1 37.76 1.73 -14 -5 -1 39.41 1.75 -14 -5 1 37.28 1.69 -5 -14 -1 40.21 1.78 -14 -5 -1 38.84 1.69 -5 -14 1 39.16 1.76 -14 5 2 52.5 2.35 -5 -14 -2 52.03 2.14 -14 5 -2 54.87 2.42 -14 5 -2 46.28 2.28 -5 14 -2 44.07 2.35 -14 5 -2 48.72 2.33 -5 14 2 45.47 2.34 -14 5 2 52.05 2.35 -5 14 2 36.58 2.53 5 -14 2 43.9 2.2 -5 14 -2 39.02 2.62 5 -14 -2 44.84 2.2 -5 -14 2 52.25 2.28 -14 5 -2 74.26 2.43 -14 -5 2 40.74 2.29 -14 5 2 48.31 2.33 -14 5 2 51.89 2.2 -5 14 2 44.54 2.15 -5 14 2 44.96 2.32 -14 5 2 53.49 2.34 -5 14 -2 45.17 2.3 5 14 2 55.25 2.4 -14 -5 2 41.08 2.06 -5 14 2 46.15 2.36 5 14 -2 50.71 2.34 -14 -5 -2 40.99 2.08 -5 -14 2 52.62 2.13 -14 -5 2 43.45 2.09 -5 -14 -3 0.58 0.56 -5 -14 3 1.19 0.52 -14 -5 -3 0.5 0.5 -14 5 -3 0.58 0.78 -14 5 3 1.67 0.79 -5 14 3 1 0.82 -14 5 3 1.35 0.68 -14 5 -3 0.83 0.93 -14 5 3 1.27 0.82 -14 5 -3 0.33 0.84 -5 14 3 0.13 0.87 -14 5 3 0.91 0.84 -5 14 -3 -0.02 0.89 5 -14 3 0.91 0.68 -5 -14 3 0.69 0.76 5 -14 -3 1.27 0.7 -5 14 3 1.6 0.95 -5 14 -3 0.53 1.05 -14 -5 3 0.78 0.87 -14 5 3 -0.04 0.86 -5 14 3 0.94 0.63 -5 14 -3 3 0.8 5 14 3 2.11 0.93 5 14 -3 0.68 0.79 -5 14 3 0.78 0.9 -14 -5 3 1.78 0.51 -14 -5 3 2.33 0.49 -14 -5 4 22.15 1.08 5 14 4 21.58 1.44 -5 14 4 24.35 1.43 5 14 -4 20.03 1.32 -14 5 4 22.09 1.33 -14 -5 4 22.04 1.07 -5 -14 4 20.88 1.08 -14 5 4 21.18 1.34 -14 5 -4 21.48 1.45 -14 -5 -4 19.78 1.09 -5 -14 -4 20.33 1.12 -14 5 -4 17.99 1.32 -5 14 4 22.77 1.41 -14 5 4 18.4 1.21 -5 14 -4 23.87 1.45 -14 5 -4 18.16 1.35 -14 5 4 21.21 1.36 -5 14 4 24.3 1.42 -5 -14 -4 19.65 2.1 -14 -5 4 21.81 1.4 -14 5 4 19.45 1.38 -5 14 -4 22.3 1.19 -5 14 4 23.84 1.18 -14 5 -4 21.18 1.19 -14 5 4 21.12 1.18 -14 5 -4 18.61 1.06 -5 14 4 19.71 1.56 5 -14 4 21.79 1.23 -5 14 -4 21.48 1.76 -5 -14 4 20.23 1.28 -14 5 -5 3.1 0.55 5 14 -5 1.72 0.78 5 14 5 2.93 0.93 -5 14 5 2.53 0.9 -14 5 -5 2.88 0.67 -14 5 5 3.37 0.67 -5 -14 5 2.48 0.51 -14 -5 5 2.41 0.52 -14 -5 5 1.47 0.5 -14 -5 -5 1.91 0.54 -5 -14 -5 1.75 0.57 -14 5 -5 3.83 0.98 -5 14 5 2.77 0.9 -14 5 -5 2.32 0.86 -14 5 5 3.16 0.82 -14 5 5 2.06 0.79 -14 5 5 2.99 0.74 -5 14 -5 1.6 0.92 -14 5 -5 1.58 0.84 -5 -14 -5 2.84 1.44 -14 -5 5 1.12 0.93 -14 5 5 1.75 0.89 -14 5 5 3.56 0.57 -14 -5 5 2.46 0.58 -5 14 -5 1.78 0.64 -5 14 5 1.57 0.63 5 -14 5 2.1 0.72 -5 -14 5 2.04 0.76 -5 14 5 0.79 0.85 -5 14 -5 2.28 1.13 -14 5 6 11.6 1.23 -14 -5 6 13.32 1.31 -14 -5 6 12.24 0.79 -14 5 -6 12.69 0.84 -5 14 -6 12.66 1.18 -5 14 6 12.39 1.14 5 14 6 11.52 1.19 -14 -5 6 11.86 0.79 -14 5 6 11.84 1.04 -5 -14 6 13.01 0.79 -14 5 -6 13.69 0.94 -14 5 6 11.26 0.93 -14 5 6 12.46 1.03 -14 -5 -6 12 0.8 -5 -14 -6 11.99 0.85 -14 5 6 12.07 0.97 5 14 6 12.22 1.25 -14 5 -6 12.48 1.13 -5 14 6 14.1 1.16 -5 14 -6 14.9 1.2 -14 5 -6 12.85 1.1 -5 -14 -6 13.46 1.81 -14 -5 6 13.19 1.17 -14 5 6 12.91 1.15 -14 5 6 13.14 0.83 -14 -5 6 14.01 0.86 -5 14 -6 12.33 0.9 -5 14 6 12.77 0.89 -5 -14 6 13.63 1.02 5 -14 6 13.05 0.98 -5 14 -6 10.24 1.42 -14 5 7 0.85 0.9 -14 -5 7 0.86 0.95 -14 -5 7 1.67 0.51 -14 5 -7 1.69 0.58 -5 14 7 1.37 0.89 -5 14 -7 0.56 0.9 5 14 7 1.99 0.97 -14 5 -7 1.87 0.67 -14 5 7 1.48 0.63 -14 -5 7 1.55 0.51 -14 -5 -7 1.37 0.52 -5 14 -7 0.73 0.91 -14 5 7 1.4 0.74 5 14 7 0.83 0.93 -14 5 7 0.91 0.7 -5 14 7 0.9 0.86 -14 5 -7 1.47 0.92 -14 5 7 1.83 0.78 -5 14 -7 2.23 0.93 -14 5 -7 1.4 0.85 -5 -14 -7 2.92 1.43 -14 -5 7 1.38 0.94 -14 5 7 0.82 0.91 -14 5 7 1.46 0.55 -14 -5 7 1.94 0.59 -5 14 -7 1.23 0.59 -5 14 7 1.12 0.59 5 -14 7 1.2 0.72 -5 -14 7 1.54 0.75 -5 14 -7 0.61 1.11 -14 5 8 38.95 2.19 -14 -5 8 35.67 2.17 -14 -5 8 32.37 1.7 -14 5 -8 40.1 1.76 5 14 8 45.58 2.08 -14 -5 8 35.65 1.7 -5 14 -8 37.08 1.99 -5 14 8 33.9 1.93 -14 5 -8 42.48 1.81 -14 5 8 41.64 1.79 -14 5 8 41.23 1.93 -14 -5 -8 31.51 1.69 -5 14 8 35.91 1.99 -14 5 -8 38.12 1.97 5 14 8 39.29 2.01 -14 5 8 38.05 1.86 -5 14 -8 36.41 1.98 -5 14 -8 35.31 1.99 -14 5 -8 40.47 1.97 -5 -14 -8 42.33 2.86 -14 -5 8 34.94 1.99 -14 5 8 41.03 2.01 -14 5 8 43.25 1.73 -14 -5 8 38.76 1.73 -5 14 -8 34.78 1.74 -5 14 8 36.6 1.73 -5 -14 8 42.52 1.87 -5 14 -8 31.06 2.32 5 -14 8 39.45 1.85 -14 5 9 4.85 1 -14 -5 9 4.05 1.03 -14 -5 9 4.56 0.62 -14 5 -9 5.43 0.7 -14 -5 9 4.16 0.61 -5 14 9 4.97 0.92 -5 14 -9 5.3 0.97 -5 -14 9 5.23 0.63 -5 14 -9 3.97 0.73 -14 5 -9 4.83 1 -14 5 9 5.7 0.84 -14 5 9 4.41 0.69 -14 5 -9 4.94 0.72 -5 14 -9 4.21 0.97 -5 14 -9 4.34 1 -14 5 -9 4.92 0.9 5 14 9 5.3 0.97 -5 -14 -9 5.31 1.6 -14 5 9 4.89 1.01 -14 -5 9 4.52 1.04 -14 5 9 5.26 0.61 -14 -5 9 4.81 0.64 -5 14 -9 3.9 0.67 -5 14 9 4.02 0.62 5 -14 9 4.28 0.79 -5 -14 9 4.55 0.78 -5 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-6 14 7 1.8 0.86 -14 6 -7 0.48 0.64 -14 6 7 0.6 0.65 -6 14 -7 1.97 0.65 -14 -6 7 1.86 0.55 -14 -6 -7 1.24 0.56 -6 -14 -7 1.44 0.61 -6 14 7 1.65 0.93 -14 6 -7 0.13 0.91 -14 6 7 1 0.81 -14 6 7 0.8 0.78 -14 6 7 1.95 0.77 6 14 7 1.26 0.95 -6 14 -7 2.75 1 -6 14 -7 2.73 0.98 -14 6 -7 0.56 0.87 -6 -14 -7 0.92 1.35 -14 -6 7 1.86 0.88 -14 6 7 0.93 0.87 -14 6 7 0.8 0.53 -14 -6 7 2.7 0.58 -6 14 -7 1.52 0.64 -6 14 7 1.6 0.62 6 -14 7 1.99 0.68 -6 -14 7 1.47 0.71 -6 14 -7 2.03 1.12 -14 -6 8 37.72 2.15 -14 6 8 35.9 2.08 -14 -6 8 33.79 1.7 -6 14 -8 35.12 1.94 -14 -6 8 35.3 1.69 -6 14 8 36.93 1.92 6 14 8 39.69 2.01 -14 6 8 37.52 1.91 -14 6 8 40.17 1.75 -6 14 -8 33.56 1.75 -14 6 8 32.01 1.83 -14 -6 -8 34.32 1.69 -14 6 -8 39.43 2 -6 14 8 37.73 2.02 -14 6 8 37.64 1.82 -6 14 -8 35.59 1.99 6 14 8 40.67 2.01 -6 14 -8 37.57 2.02 -14 6 -8 35.87 1.94 -6 -14 -8 40.32 2.76 -14 -6 8 36.71 1.95 -14 6 8 37.28 1.94 -14 6 8 39.51 1.68 -14 -6 8 38.94 1.69 -6 14 -8 36.84 1.73 -6 14 8 38.64 1.72 -14 6 -8 40.06 1.76 -6 14 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1.23 0.52 -8 14 24 0.66 0.46 -8 -14 25 7.1 0.6 8 -14 25 8.81 0.57 -8 14 -25 7.59 0.79 -8 14 25 8.18 0.55 -8 -14 26 22.62 1.05 -8 14 26 21.58 1.2 8 -14 26 20.42 1.03 -8 14 -26 19.66 1.17 -8 14 27 2.12 0.58 -8 14 -27 2.74 0.55 8 -14 27 2.26 0.35 -14 8 -27 2.12 0.46 -8 14 -28 8.38 0.46 -14 8 -28 7.42 0.56 -8 14 28 7.78 0.63 -8 14 -28 7.24 0.6 -8 14 29 0.54 0.39 -8 -14 -29 0.71 0.24 -14 8 -29 0.53 0.3 -8 14 -29 1.09 0.22 -8 14 30 0.72 0.28 -9 14 0 5.9 1.13 -14 9 0 1.55 0.99 -14 -9 0 6.7 0.7 -9 -14 0 5.02 0.71 -14 -9 0 6.73 0.62 -9 14 0 6.05 0.72 -9 14 0 5.51 0.87 -14 9 0 2.77 0.71 -9 14 0 6.31 1.04 -9 14 0 5.52 0.74 -14 9 0 2.91 0.64 -14 9 0 3.69 1.04 -9 14 -1 22.79 1.59 -14 9 -1 22.87 1.54 -9 14 1 25.81 1.62 -14 9 1 24.05 1.57 -14 -9 1 22.53 1.22 -9 -14 -1 24.31 1.26 -9 -14 1 24.64 1.25 -14 -9 -1 23.16 1.23 -14 -9 1 23.06 1.19 -14 -9 -1 22.3 1.17 -9 14 1 26.36 1.55 -14 9 1 23.34 1.51 -9 14 -1 23.73 1.52 -14 9 1 25.88 1.29 -9 14 1 24.58 1.26 -9 14 1 23.24 1.37 -9 14 -1 23 1.39 -14 9 1 22.81 1.24 -9 14 -1 22.09 1.26 -9 14 1 21.17 1.29 -14 9 -1 22.16 1.2 -14 9 -1 23.29 1.59 -14 9 1 22.24 1.55 -9 14 -2 2.35 1.06 -14 9 -2 3.2 1.02 -9 14 2 3.67 1.09 -14 9 2 3.35 1 -14 -9 -2 4.03 0.56 -14 -9 2 5.64 0.67 -14 -9 2 5.24 0.63 -14 9 2 5.18 0.97 -9 14 -2 4.33 0.97 -9 14 2 3.86 0.7 -9 14 -2 3.65 0.85 -9 14 2 3.58 0.79 -14 9 2 3.58 0.72 -9 14 2 3 1.02 -9 -14 2 4.36 0.67 -14 -9 -2 3.35 0.65 -9 -14 -2 4.21 0.71 -9 14 -2 4.26 0.72 -9 14 2 3.09 0.74 -14 9 2 3.7 0.67 -14 9 -2 4.13 1.09 -14 9 2 4.63 1.09 -9 14 -3 3.45 1.1 -14 9 -3 2.9 1.02 -9 14 3 2.18 1.04 -14 9 3 2.1 1.01 -14 -9 -3 3.96 0.69 -14 -9 -3 4.2 0.58 -14 -9 3 3.42 0.61 -9 -14 -3 3.73 0.72 -14 -9 3 3.9 0.62 -9 -14 3 4.06 0.64 -9 14 3 4 0.68 9 14 3 2.76 0.78 -9 14 3 2.94 0.76 -9 14 -3 2.54 0.84 -14 9 3 3.62 0.7 -9 14 -3 2.96 1.12 -9 14 -3 3.26 0.66 -9 14 3 3.16 0.76 -14 9 3 3.42 0.68 -14 9 -3 2.54 1.06 -14 9 3 3.64 1.01 -14 9 -3 3.78 0.91 -14 9 3 2.3 0.93 -9 14 3 2.32 0.99 -14 9 4 34.4 1.68 -9 14 -4 33.9 1.65 -9 14 4 34.3 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1.96 -4 15 5 47.67 2.09 -15 4 -5 43.65 1.94 -15 4 5 41.06 1.92 -4 -15 -5 40.79 1.83 -15 4 -5 36.77 2.01 4 15 5 41.52 2.18 -4 15 -5 41.26 2.04 -4 15 -5 44.61 2.07 -15 4 -5 38.77 1.99 4 -15 5 45.49 2.01 -4 -15 5 46.1 2.04 -4 15 -5 35.29 2.42 -15 -4 5 41.43 2.16 -15 4 5 37.42 2.1 -4 15 -5 41.92 1.91 -4 15 5 45.56 1.92 4 15 5 42.59 2.17 -4 15 -5 40.9 2.12 4 15 -5 42.18 2.06 -4 15 5 46.34 2.16 -15 4 -5 35.34 1.82 -4 15 6 6.38 1.03 4 15 6 2.68 1.01 -4 15 -6 5.49 1.04 4 15 -6 3.57 0.88 -15 4 6 3.13 0.69 -15 4 -6 3.29 0.75 -15 4 6 2.75 0.74 -15 -4 -6 5.13 0.5 -4 -15 -6 3.75 0.57 -4 15 6 6.18 0.9 -15 4 -6 3.32 0.88 -4 15 -6 6.77 0.98 -4 15 -6 5.19 0.87 4 15 6 3.23 1.03 -4 15 -6 5.96 0.92 -15 4 -6 2.54 0.78 -4 15 -6 3.82 1.23 4 -15 6 5.94 0.83 -4 -15 6 3.42 0.83 -15 -4 6 6.6 1.08 -15 4 6 1.77 0.96 -4 15 6 5.99 0.69 -4 15 -6 4.52 0.69 -15 4 6 3.51 0.62 -15 -4 6 6.76 0.69 -15 4 -6 2.67 0.58 -15 4 -7 15.79 0.97 -4 15 -7 17.04 1.29 4 15 7 16.35 1.36 -4 15 7 16.08 1.29 -15 4 -7 16.97 1.07 -15 4 7 16.6 1.04 -15 4 7 16.63 1.05 -15 -4 -7 14.75 0.84 -4 -15 -7 16.42 0.93 -15 4 -7 16.66 1.22 -4 15 7 15.9 1.21 4 15 7 18.29 1.37 -4 15 -7 14.92 1.14 -4 15 -7 16.4 1.24 -4 15 -7 15.55 1.19 -15 4 -7 15.33 1.12 -4 15 -7 11.68 1.51 -4 -15 7 17.53 1.17 4 -15 7 16.35 1.13 -15 -4 7 16.68 1.36 -15 4 7 13.92 1.27 -15 4 7 16.62 0.97 -15 -4 7 17.33 1 -4 15 -7 16.29 1.01 -4 15 7 15.3 1 -15 4 7 18.61 1.44 -15 -4 7 14.82 1.44 -15 4 -8 5.02 0.68 -15 -4 8 3.68 0.51 -4 15 8 3.87 0.98 4 15 8 4.7 1.07 -4 15 -8 5.69 1.01 -15 4 8 6.45 0.73 -4 -15 8 5.39 0.59 -15 4 -8 4.23 0.75 -15 4 8 5.06 0.75 -4 -15 -8 4.2 0.59 -15 -4 -8 3.44 0.47 -4 15 8 5.15 0.91 -15 4 -8 5.47 0.95 -4 15 -8 3.93 0.91 -4 15 -8 4.53 0.91 -15 4 -8 5.63 0.81 4 15 8 4.86 1 -4 15 -8 4.26 1.22 4 -15 8 5.17 0.82 -4 -15 8 6.2 0.85 -15 -4 8 4.13 1.03 -15 4 8 5.02 1.06 -15 4 8 6.82 0.66 -15 -4 8 5.58 0.67 -4 15 -8 5.02 0.67 -4 15 8 4.65 0.66 -15 4 8 5.98 1.05 -15 -4 8 4.58 1.06 -15 -4 9 8.13 0.7 -15 4 -9 8.58 0.81 -4 -15 9 10.72 0.73 -15 4 -9 11.03 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4 6.55 0.57 5 15 4 7.06 1.07 -5 15 4 8.2 1.07 -15 -5 -5 21.78 1 -5 -15 -5 17.62 1.04 -15 5 5 15.65 1.14 -15 5 -5 15 1.23 -5 15 5 23.02 1.35 -15 5 5 15.33 1.2 -15 5 -5 16.57 1.12 -15 5 5 15.53 1.12 5 15 5 16.77 1.42 -5 15 -5 24.08 1.37 -15 5 -5 14.85 1.21 5 -15 5 23.6 1.21 -5 15 -5 19.92 1.68 -5 -15 5 16.52 1.21 -15 -5 5 22.82 1.4 -15 5 5 14.96 1.3 -5 15 -5 23.89 1.14 -5 15 5 23.95 1.15 -15 5 -5 14.96 0.97 -5 15 -5 22.31 1.42 5 15 5 18.05 1.41 -5 15 5 25.27 1.44 5 15 -5 17.05 1.23 -15 -5 5 21.46 0.99 5 15 6 1.98 1 -5 15 -6 2.63 0.96 5 15 -6 2.82 0.81 -5 15 6 3.1 0.95 -15 5 -6 2.34 0.74 -15 5 6 3.79 0.74 -5 -15 -6 3.05 0.6 -15 -5 -6 2.87 0.51 -5 15 6 1.56 0.87 -15 5 -6 2.19 0.88 -15 5 6 3.01 0.77 -5 15 -6 2 0.95 -5 15 -6 2.54 0.93 -15 5 -6 2.68 0.82 5 15 6 2.36 0.99 -5 -15 -6 2.8 1.38 -15 -5 6 1.86 0.94 -15 5 6 1.88 0.91 -5 15 -6 2.66 0.65 -5 15 6 3 0.64 -15 5 -6 3.26 0.55 5 -15 6 3.48 0.74 -5 -15 6 4.12 0.81 -5 15 -6 1.86 1.1 -5 15 -7 77.21 3.4 5 15 7 80.4 3.45 -5 15 7 76.42 3.38 -15 5 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9 70.04 2.93 -15 5 9 59.3 2.81 -15 5 -9 63.63 2.75 -15 5 9 62.9 2.74 -5 15 -9 62.41 2.79 -5 -15 9 64 2.7 -15 -5 -9 61.86 2.67 -5 15 -9 65.57 2.91 -5 -15 -9 62.28 2.71 -15 5 -9 60.75 2.91 -5 15 9 69.14 2.97 5 15 9 63.44 2.94 -5 15 -9 68.78 2.95 -15 5 -9 60.39 2.86 -5 -15 -9 66.67 3.77 -15 -5 9 69.48 2.98 -15 5 9 61.99 2.93 -15 5 9 62.7 2.69 -15 -5 9 70.96 2.73 -5 15 -9 66.59 2.74 -5 15 9 69.13 2.73 -5 -15 9 64.43 2.83 -5 15 -9 53.96 3.27 5 -15 9 68.32 2.82 -5 15 -10 7.64 1.02 5 15 10 11.19 1.19 -5 15 10 7.7 0.99 -15 5 10 9.3 0.86 -15 5 -10 9.18 0.79 -15 5 10 9.46 0.79 -5 15 -10 8.52 0.98 -15 -5 -10 6.93 0.63 -5 -15 -10 8.55 0.73 -15 5 -10 9.64 1.06 -5 15 10 8.68 1.04 -5 15 -10 7.58 0.82 -5 -15 10 7.94 0.69 5 15 10 10.78 1.04 -15 5 -10 8.21 0.93 -5 15 -10 7.78 1 -5 -15 10 9.3 0.89 5 -15 10 8.48 0.88 -15 -5 10 7.23 1.06 -15 5 10 9.15 1.09 -5 15 -10 8.92 0.75 -5 15 10 7.84 0.73 -15 5 10 9.6 0.72 -15 -5 10 9.87 0.76 -15 -5 10 7.54 0.68 -15 5 -10 7.71 0.76 -5 15 -11 7.11 1.02 5 15 11 9.4 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0.79 0.52 -5 -15 -28 0.26 0.22 -15 5 29 0.51 0.36 5 15 29 0.47 0.42 -5 15 29 0.4 0.36 5 -15 29 0.26 0.33 5 15 -29 1.09 0.27 -6 15 0 35.81 1.91 -15 6 0 37.44 1.87 6 -15 0 35.62 1.73 -6 15 0 32.41 2.16 -6 -15 0 39.1 1.66 -15 -6 0 34.65 1.61 -6 15 0 36.8 1.88 -6 15 0 35.06 1.9 -15 -6 0 33.46 1.57 6 15 0 37.47 1.89 -15 6 0 33.03 1.73 -15 6 0 38.53 1.74 -15 6 0 38.4 1.92 -6 15 0 35.63 1.71 -15 6 -1 23.84 1.55 -15 6 1 25.21 1.52 -15 6 1 25.94 1.37 -15 6 -1 22.78 1.37 -6 15 -1 24.1 1.55 -15 6 -1 22.39 1.48 -6 15 1 24.62 1.54 -15 6 1 23.56 1.49 -6 15 -1 20.08 1.74 6 -15 1 23.93 1.34 6 -15 -1 22.06 1.33 -6 15 1 22.09 1.75 -6 15 -1 24.03 1.54 -15 -6 1 24.27 1.18 -15 -6 -1 22.68 1.15 6 15 -1 26.04 1.51 6 15 1 25.65 1.53 -6 15 1 27.22 1.53 -6 15 -1 24.76 1.49 -15 -6 -1 23.4 1.21 -15 -6 1 26.62 1.23 -6 -15 -1 26.49 1.27 -6 -15 1 26.21 1.26 -6 15 -1 24.78 1.32 -6 15 1 25.37 1.31 -15 6 -2 4.83 0.98 -15 -6 -2 3.22 0.57 -6 -15 -2 3.83 0.61 -15 6 -2 3.16 0.81 -6 15 2 5.16 0.94 -6 15 -2 2.48 0.94 -15 6 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2.52 -6 15 -4 60.29 2.58 -6 15 4 60.35 2.58 -15 6 5 12.98 1.01 -6 -15 -5 13.03 0.84 -15 6 -5 11.1 1.05 -15 6 -5 13.76 0.92 -15 6 5 13.45 0.92 6 15 5 13.74 1.24 -6 15 -5 8.87 1.18 -6 15 -5 9.56 1.12 -15 6 -5 11.14 1.09 6 -15 5 10.47 0.89 -6 -15 5 10.77 0.97 -6 15 -5 8.11 1.31 -15 -6 5 8.59 1.03 -15 6 5 11.47 1.04 -15 -6 5 10.98 0.74 6 15 5 12.3 1.17 -6 15 5 10.4 1.11 -15 6 5 11.98 1.03 -15 -6 -5 9.37 0.76 -6 15 -5 10.37 0.86 -6 15 5 9.69 0.84 -6 15 -6 5.25 0.69 -15 -6 -6 5.98 0.61 -15 6 -6 5.31 0.75 -15 6 6 5.13 0.74 -6 -15 -6 4.47 0.66 -15 6 -6 4.48 0.91 -15 6 6 4.61 0.86 -6 15 6 6.55 0.99 -6 15 -6 4.74 1.02 6 15 6 5.54 1.06 -15 6 6 3.19 0.75 -6 15 -6 5.99 0.97 -15 6 -6 3.55 0.88 6 -15 6 5.53 0.76 -6 -15 6 4.85 0.83 -6 15 -6 4.52 1.16 -15 -6 6 4.88 0.9 -15 6 6 3.43 0.9 -6 15 -6 5.66 0.71 -6 15 6 4.94 0.68 -15 -6 6 5.11 0.57 6 15 6 3.52 1.03 -15 6 -6 5.09 0.56 -6 -15 7 14.85 0.93 -6 15 -7 14.65 0.99 -6 15 7 17.47 1.28 -15 6 7 15.17 1.15 -15 6 -7 15.45 1.03 -15 6 7 16.95 1 -6 15 -7 16.69 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0.71 -15 6 16 2.84 0.85 -15 -6 16 2.69 0.84 -15 6 16 2.51 0.5 -15 -6 16 3.39 0.53 -15 6 -16 3.07 0.99 -15 6 16 1.94 0.47 -6 15 16 3.13 0.75 6 15 16 3.77 1.09 -15 -6 16 4.12 0.63 -15 6 -16 2.66 0.7 -15 6 -17 3.48 0.99 -6 15 -17 3.33 0.59 6 15 -17 2.86 0.66 6 -15 17 3.89 0.72 -15 6 17 2.55 0.82 -15 -6 17 2.1 0.83 -15 6 17 3.03 0.49 -15 -6 17 3.21 0.52 -6 15 -17 3.52 0.89 -15 6 -17 2.95 0.77 -6 15 17 3.47 0.72 6 15 17 3.95 1.05 -15 -6 17 2.79 0.6 -15 6 -17 2.51 0.69 6 15 -18 1.04 0.59 -6 15 -18 0.56 0.54 6 15 -18 0.22 0.7 -6 15 -18 2.46 0.85 6 -15 18 0.61 0.63 -15 6 18 1.06 0.8 -15 6 18 0.53 0.44 -15 -6 18 0.47 0.47 -6 15 18 0.98 0.67 6 15 18 0.1 1 -15 6 -18 1.26 0.67 -6 15 -19 4.86 0.76 6 15 -19 5.83 0.64 -6 15 -19 4.7 0.61 6 15 -19 5.83 0.78 -6 15 -19 5.1 0.88 6 -15 19 6.2 0.71 -15 6 19 4.48 0.84 -15 -6 19 5.17 0.54 -6 15 19 4.58 0.69 6 15 19 5.17 1.07 -15 6 -19 6.07 0.74 -6 15 -20 3.23 0.68 6 15 -20 4.33 0.58 -6 15 -20 4.45 0.58 6 15 -20 3.55 0.72 -6 15 -20 4.34 0.84 6 -15 20 4.82 0.67 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1.36 -7 15 -4 17.93 1.31 -15 7 -4 12.64 1.2 7 -15 4 16.26 0.99 -15 7 4 18.48 1.14 -7 15 -4 16.6 1.23 -7 15 4 14.31 1.16 7 15 4 14.77 1.21 -15 -7 4 16.02 0.9 -7 15 4 16.1 1.26 -15 7 4 13.53 1.16 -7 -15 4 14.1 0.91 -15 -7 -4 15.17 0.92 -7 -15 -4 13.52 0.95 -7 15 -4 15.39 1.01 -7 15 4 16.88 1 -15 -7 -5 1.02 0.54 -7 -15 -5 1.24 0.6 -15 7 -5 2.11 0.85 -7 15 5 1.61 0.93 -15 7 -5 1.55 0.7 -15 7 5 1.53 0.68 -7 15 -5 1.16 1.04 7 15 5 1.11 0.96 -15 7 5 1.4 0.83 -15 7 -5 1.74 0.87 -7 15 -5 1.2 0.94 7 -15 5 1.75 0.64 -15 7 5 2.4 0.76 7 15 5 0.33 0.89 -7 15 -5 1.42 0.9 -7 15 5 1.26 0.8 -15 7 5 1.48 0.81 -15 -7 5 2.34 0.53 -7 15 -5 1.61 0.65 -7 15 5 1.81 0.64 -7 -15 -6 4.44 0.66 -15 7 -6 4.23 0.92 -15 7 6 3.26 0.83 -7 15 6 5.05 0.98 -15 7 -6 4.26 0.71 -15 7 6 4.55 0.69 7 15 6 5.39 1.04 -15 7 6 3.83 0.82 -7 15 -6 3.35 1.02 -7 15 -6 6.1 1.02 -15 7 -6 3.65 0.92 7 -15 6 4.58 0.67 -15 7 6 4.23 0.8 -15 -7 6 7.51 0.84 7 15 6 4.33 0.98 -15 -7 -6 4.18 0.61 -15 -7 6 4.67 0.59 -7 15 -6 4.19 0.69 -7 15 6 5.25 0.69 -15 -7 -7 30.56 1.5 -7 -15 -7 34.09 1.55 -7 15 -7 34.19 1.84 -15 7 -7 31.15 1.75 -15 7 -7 34.22 1.59 -15 7 7 33.18 1.57 7 15 7 33.36 1.81 -7 15 -7 34.51 1.83 -15 7 -7 30.78 1.74 7 -15 7 35.33 1.58 -15 -7 7 29.5 1.63 -15 7 7 29.71 1.65 -15 -7 7 31.69 1.5 7 15 7 30.88 1.8 -15 7 7 31.87 1.72 -7 15 7 34.8 1.82 -7 15 -7 29.62 1.51 -7 -15 7 34.68 1.55 -7 15 -7 33.76 1.56 -7 15 7 31.37 1.53 -7 -15 8 1.87 0.59 -7 15 -8 2.02 0.53 -15 7 -8 1.67 0.65 -15 7 8 2.16 0.65 -7 15 -8 1.56 0.95 -7 15 8 0.93 0.9 -15 7 -8 1 0.87 -15 7 8 1.3 0.8 -15 -7 -8 1.5 0.55 -7 -15 -8 1.44 0.61 7 15 8 2.32 0.92 -7 15 -8 1.43 0.92 -15 7 -8 1.23 0.84 7 -15 8 1.44 0.63 -15 -7 8 1.14 0.71 -15 7 8 2 0.78 -7 15 -8 1.52 0.61 -7 15 8 1.37 0.6 -15 -7 8 1.9 0.55 7 15 8 1.66 0.98 -15 7 -8 2.06 0.54 -7 -15 9 1.74 0.59 -7 15 -9 1.75 0.55 -15 7 -9 1.86 0.62 -15 7 9 1.82 0.63 -7 15 -9 1.9 0.91 -7 15 9 1.09 0.93 -15 7 -9 1.58 0.94 -15 7 9 1.88 0.8 -15 -7 -9 2.32 0.55 -7 -15 -9 2.15 0.61 -7 15 -9 2.75 0.97 7 15 9 2.87 0.88 -15 7 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24.79 1.18 -7 15 -11 26.01 1.47 7 15 11 24.08 1.54 -15 -7 11 21.94 1.19 -15 7 -11 21.18 1.2 -7 15 -12 1.89 0.55 7 15 -12 1.46 0.67 -7 -15 12 1.69 0.55 -15 7 -12 1.35 0.56 -15 7 12 1.25 0.56 -7 15 12 1.65 0.78 -7 15 12 1.26 0.92 -15 7 -12 1.7 0.92 -15 7 12 1.79 0.76 -15 -7 -12 1.3 0.52 -7 -15 -12 1.56 0.6 -7 15 -12 1.33 0.8 -7 15 -12 1.84 0.92 -15 7 -12 1.63 0.83 7 15 12 1.57 0.71 7 -15 12 2.26 0.63 -15 7 12 0.48 0.76 -7 15 -12 1.9 0.54 -7 15 12 2.1 0.53 -7 15 -12 1.88 0.88 7 15 12 2.17 1 -15 -7 12 1.33 0.58 -15 7 -12 2.37 0.6 -7 15 -13 1.44 0.53 7 15 -13 2.89 0.67 -7 -15 13 3.06 0.57 -15 7 -13 1.87 0.56 -15 7 13 2.54 0.55 -15 -7 -13 1.61 0.52 -7 15 -13 2.87 0.81 -7 15 13 2.45 0.96 -15 7 -13 1.74 0.92 -15 7 13 3.04 0.75 -7 15 13 1.75 0.78 -7 15 -13 4 0.93 -15 7 -13 2.15 0.83 7 -15 13 2.47 0.62 -15 7 13 2.72 0.78 -7 15 -13 1.95 0.51 -7 15 13 1.77 0.5 7 15 13 3.56 1.01 -7 15 -13 2.55 0.89 -15 -7 13 1.69 0.58 -15 7 -13 2.93 0.64 -7 -15 14 13.03 0.79 7 15 14 13.51 1.22 -15 7 14 12.84 0.95 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0.29 -1 21 6 0.2 0.26 1 21 -6 0.64 0.28 1 21 6 0.5 0.28 -1 21 -6 0.51 0.34 -1 21 6 0.13 0.43 1 21 6 -0.01 0.46 -1 21 -6 0.43 0.35 -1 21 7 6.52 0.54 1 21 7 6.41 0.54 1 21 -7 4.44 0.45 -1 21 7 5.22 0.35 -1 21 7 4.63 0.45 -1 21 -7 5.74 0.43 -1 21 -8 0.6 0.31 1 21 -8 0.76 0.34 -1 21 8 0.06 0.31 1 21 8 0.74 0.43 -1 21 -9 4.93 0.37 1 21 -9 3.96 0.4 -1 21 9 4.91 0.37 1 21 9 4.95 0.47 1 21 10 0.24 0.35 1 21 -10 0.62 0.28 -1 21 -10 0.54 0.25 1 21 -10 0.57 0.28 1 21 11 0.35 0.31 1 21 -11 0.44 0.25 1 21 -11 0.69 0.24 -1 21 -11 1.01 0.23 -1 21 12 1.98 0.27 1 21 12 2.21 0.3 -1 21 -12 2.21 0.22 1 21 -12 2.39 0.24 -2 21 0 0.31 0.46 2 21 0 0.13 0.39 -2 21 0 0.19 0.31 2 21 0 0.68 0.33 -2 21 -1 6.66 0.59 2 21 -1 6.61 0.49 -2 21 1 6.66 0.58 2 21 1 6.48 0.52 2 21 -1 6.94 0.46 2 21 1 6.41 0.46 -2 21 1 6.24 0.44 -2 21 -2 1.09 0.47 2 21 -2 0.8 0.34 -2 21 2 0.36 0.47 2 21 2 0.83 0.42 2 21 -2 -0.01 0.43 -2 21 2 0.81 0.32 2 21 2 0.77 0.32 -2 21 -3 3.22 0.49 2 21 -3 2.45 0.33 -2 21 3 3.07 0.5 2 21 3 3.45 0.47 2 21 -3 2.82 0.46 2 21 3 2.96 0.35 -2 21 3 2.96 0.34 2 21 4 7.27 0.55 -2 21 -4 5.38 0.5 -2 21 4 5.59 0.57 2 21 -4 6.51 0.52 2 21 -4 6.17 0.45 2 21 4 6.47 0.43 -2 21 -4 5.61 0.42 -2 21 4 5.36 0.41 -2 21 -5 1.56 0.39 -2 21 5 0.83 0.46 2 21 5 1.07 0.44 -2 21 5 0.15 0.36 2 21 -5 1.28 0.41 -2 21 -5 0.62 0.28 -2 21 5 0.88 0.29 2 21 -5 1.18 0.3 2 21 5 0.92 0.3 2 21 6 1.69 0.43 -2 21 6 1.33 0.38 2 21 -6 2.08 0.39 -2 21 -6 1.41 0.29 -2 21 6 1.09 0.26 2 21 -6 1.65 0.3 2 21 6 1.77 0.29 -2 21 7 1.38 0.34 2 21 7 2.55 0.44 2 21 -7 1.68 0.37 -2 21 8 0.94 0.33 2 21 8 0.99 0.39 2 21 -8 1.34 0.33 -2 21 9 0.71 0.35 2 21 9 0.13 0.36 2 21 -9 0.54 0.3 -2 21 10 1.85 0.33 2 21 10 1.94 0.35 2 21 -10 2.06 0.29 2 21 11 7.73 0.49 -2 21 11 9.09 0.47 2 21 -11 8.86 0.45 -3 21 0 2.2 0.44 3 21 0 1.35 0.31 -3 21 0 1.81 0.35 3 21 0 1.45 0.41 -3 21 0 2.33 0.32 3 21 0 1.33 0.34 -3 21 -1 6.58 0.54 -3 21 1 6.18 0.53 3 21 1 4.27 0.41 -3 21 -1 4.78 0.41 -3 21 1 4.67 0.45 3 21 -1 4.58 0.5 3 21 -1 5.04 0.41 3 21 1 5.84 0.41 -3 21 1 4.91 0.4 3 21 2 2.52 0.38 -3 21 -2 4.36 0.48 -3 21 2 4.12 0.47 -3 21 2 3.95 0.41 3 21 -2 3.3 0.46 3 21 2 3.13 0.36 -3 21 2 3.73 0.34 3 21 3 12.31 0.72 3 21 -3 14.05 0.76 3 21 3 14.67 0.68 -3 21 3 14.08 0.68 3 21 4 2.67 0.4 -3 21 -4 3.71 0.43 3 21 -4 2.59 0.42 3 21 -4 2.79 0.34 3 21 4 2.68 0.34 -3 21 -4 3.72 0.33 -3 21 4 4.1 0.32 3 21 5 4.16 0.42 -3 21 -5 5.3 0.46 3 21 -5 4.58 0.44 3 21 -5 4.41 0.35 3 21 5 4.01 0.33 -3 21 -5 3.64 0.33 -3 21 5 4.01 0.32 3 21 6 0.1 0.34 -3 21 6 0.75 0.32 3 21 -6 0.44 0.34 -3 21 -6 0.49 0.24 3 21 -6 0.24 0.26 3 21 -7 5.22 0.41 -3 21 7 4.61 0.38 3 21 7 4.21 0.42 -3 21 7 4.49 0.42 3 21 -8 4.05 0.34 3 21 -8 2.41 0.37 -3 21 8 3.25 0.33 3 21 8 3.15 0.37 -3 21 8 3.31 0.37 3 21 -9 2.75 0.29 3 21 -9 1.64 0.31 -3 21 9 2.32 0.31 3 21 9 2.58 0.33 3 21 -10 0.26 0.21 3 21 -10 0.09 0.25 3 21 10 0.07 0.26 -4 21 0 2.56 0.4 -4 21 0 2.02 0.32 4 21 0 2.76 0.4 -4 21 0 2.04 0.3 -4 21 -1 2.14 0.41 -4 21 1 1.33 0.31 4 21 1 1.18 0.37 4 21 -1 1.32 0.36 4 21 -1 1.39 0.3 4 21 1 1.6 0.31 -4 21 1 1.56 0.29 -4 21 -2 1.94 0.41 -4 21 2 1.79 0.32 4 21 -2 2.49 0.37 4 21 2 2.03 0.3 -4 21 2 2.42 0.3 -4 21 -3 0.49 0.38 -4 21 3 0.52 0.29 4 21 3 0.63 0.26 -4 21 3 0.47 0.26 4 21 -3 1.15 0.36 -4 21 -4 11.42 0.57 -4 21 4 11.44 0.56 4 21 -4 12.33 0.58 4 21 4 11.82 0.57 -4 21 4 11.5 0.65 4 21 -4 12.71 0.63 -4 21 5 3.36 0.38 4 21 -5 3.3 0.35 -4 21 6 2.55 0.33 4 21 -6 2.21 0.31 -4 21 7 2.47 0.31 4 21 -7 1.24 0.31 4 21 -7 1.86 0.27 -4 21 8 17.53 0.73 4 21 -8 17.82 0.72 4 21 -9 0.51 0.24 5 21 0 0.75 0.25 5 21 0 0.59 0.28 5 21 1 1.96 0.27 5 21 -1 2.31 0.27 5 21 -1 1.79 0.3 5 21 1 1.42 0.31 5 21 2 2.39 0.32 5 21 -2 2.54 0.3 -5 21 2 3.51 0.35 5 21 3 0.13 0.27 5 21 -3 0.85 0.25 -5 21 3 0.63 0.29 5 21 4 0.64 0.27 5 21 -4 0.47 0.23 -5 21 4 1.03 0.27 -5 21 5 2.18 0.27 5 21 -6 5.26 0.34 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 O11 Na1 O11 80.8(2) 2_665 . ? O11 Na1 O6 178.94(17) . . ? O11 Na1 O6 98.53(12) . 2_665 ? O11 Na1 O6 98.53(12) 2_665 . ? O11 Na1 O6 178.94(17) 2_665 2_665 ? O6 Na1 O6 82.1(2) 2_665 . ? O18 Na1 O11 84.72(15) 2_665 2_665 ? O18 Na1 O11 92.37(15) . 2_665 ? O18 Na1 O11 92.37(15) 2_665 . ? O18 Na1 O11 84.72(15) . . ? O18 Na1 O6 86.74(15) . 2_665 ? O18 Na1 O6 96.15(16) 2_665 2_665 ? O18 Na1 O6 86.74(15) 2_665 . ? O18 Na1 O6 96.15(16) . . ? O18 Na1 O18 176.2(3) . 2_665 ? C32 O12 H12 109.5 . . ? C37 O11 Na1 125.5(3) . . ? C17 O6 Na1 119.9(4) 2_664 . ? C18 O1 Na2 113.8(4) . . ? Na1 O18 H18A 113.4 . . ? Na1 O18 H18B 113.2 . . ? H18A O18 H18B 100.6 . . ? H16A O16 H16B 104.4 . . ? Na2 O16 H16A 109.4 . . ? Na2 O16 H16B 109.8 . . ? C41 N1 C47 109.4(4) . . ? C41 N1 C48 109.7(4) . . ? C41 N1 C49 113.0(4) . . ? C47 N1 C48 109.4(4) . . ? C47 N1 C49 107.8(4) . . ? C49 N1 C48 107.5(4) . . ? C11 O4 H4 109.5 . . ? C2 O3 H3 109.5 . . ? C18 O2 Na3 137.6(4) . . ? C22 O8 H8 109.5 . . ? H14A O14 H14B 93.9 . . ? Na2 O14 H14A 140.8 . . ? Na2 O14 H14B 112.4 . . ? C57 N2 C51 110.8(4) . . ? C57 N2 C58 108.0(4) . . ? C57 N2 C59 109.8(5) . . ? C51 N2 C58 112.5(4) . . ? C51 N2 C59 109.3(4) . . ? C58 N2 C59 106.3(5) . . ? C38 O9 Na2 120.5(4) . . ? H17A O17 H17B 104.7 . . ? C46 C41 N1 122.4(4) . . ? C42 C41 N1 117.9(4) . . ? C42 C41 C46 119.7(4) . . ? O12 C32 C31 122.4(5) . . ? O12 C32 C33 117.8(4) . . ? C33 C32 C31 119.8(5) . . ? C36 C35 C30 121.7(5) . . ? C34 C35 C36 119.1(5) . . ? C34 C35 C30 119.1(5) . . ? C12 C13 H13 119.3 . . ? C12 C13 C14 121.3(5) . . ? C14 C13 H13 119.3 . . ? C53 C54 C44 122.1(5) . . ? C53 C54 C55 117.6(4) . . ? C55 C54 C44 120.4(5) . . ? O11 C37 C31 117.1(5) . . ? O10 C37 O11 123.2(5) . . ? O10 C37 C31 119.7(4) . . ? C13 C12 C17 120.4(5) . . ? C13 C12 C11 118.5(5) . . ? C11 C12 C17 121.1(5) . . ? C6 C5 C7 120.9(5) . . ? C6 C5 C4 119.0(5) . . ? C4 C5 C7 120.1(5) . . ? C43 C44 C54 120.2(4) . . ? C43 C44 C45 117.9(4) . . ? C45 C44 C54 121.8(4) . . ? C27 C28 C29 176.2(6) . . ? C32 C31 C37 120.2(4) . . ? C36 C31 C32 119.2(5) . . ? C36 C31 C37 120.5(4) . . ? O5 C17 O6 124.3(5) . 2_666 ? O5 C17 C12 119.2(5) . . ? O6 C17 C12 116.5(5) 2_666 . ? C30 C29 C28 176.5(5) . . ? C5 C6 H6 119.8 . . ? C5 C6 C1 120.5(5) . . ? C1 C6 H6 119.8 . . ? O1 C18 O2 124.1(5) . . ? O1 C18 C1 120.3(5) . . ? O1 C18 Na2 44.5(3) . . ? O2 C18 C1 115.6(6) . . ? O2 C18 Na2 79.7(4) . . ? C1 C18 Na2 164.4(4) . . ? N2 C57 H57A 109.5 . . ? N2 C57 H57B 109.5 . . ? N2 C57 H57C 109.5 . . ? H57A C57 H57B 109.5 . . ? H57A C57 H57C 109.5 . . ? H57B C57 H57C 109.5 . . ? C35 C36 H36 119.5 . . ? C31 C36 C35 121.1(5) . . ? C31 C36 H36 119.5 . . ? N1 C47 H47A 109.5 . . ? N1 C47 H47B 109.5 . . ? N1 C47 H47C 109.5 . . ? H47A C47 H47B 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? O4 C11 C12 121.7(5) . . ? O4 C11 C16 117.9(5) . . ? C16 C11 C12 120.5(5) . . ? C26 C21 C22 118.5(5) . . ? C26 C21 C38 119.9(6) . . ? C22 C21 C38 121.6(5) . . ? C28 C27 C25 175.6(6) . . ? C26 C25 C27 121.8(5) . . ? C26 C25 C24 118.2(5) . . ? C24 C25 C27 120.0(5) . . ? C8 C7 C5 178.7(6) . . ? C44 C43 H43 119.4 . . ? C42 C43 C44 121.1(5) . . ? C42 C43 H43 119.4 . . ? C41 C46 H46 120.2 . . ? C45 C46 C41 119.7(4) . . ? C45 C46 H46 120.2 . . ? C11 C16 H16 119.9 . . ? C15 C16 C11 120.2(5) . . ? C15 C16 H16 119.9 . . ? C41 C42 H42 119.9 . . ? C43 C42 C41 120.2(5) . . ? C43 C42 H42 119.9 . . ? C21 C26 H26 118.9 . . ? C25 C26 C21 122.1(5) . . ? C25 C26 H26 118.9 . . ? C29 C30 C35 175.9(6) . . ? C13 C14 C10 121.8(5) . . ? C13 C14 C15 118.7(5) . . ? C15 C14 C10 119.5(5) . . ? C9 C10 C14 173.3(6) . . ? C53 C52 H52 120.5 . . ? C51 C52 H52 120.5 . . ? C51 C52 C53 119.1(5) . . ? C5 C4 H4A 119.4 . . ? C3 C4 C5 121.1(5) . . ? C3 C4 H4A 119.4 . . ? C10 C9 C8 176.2(6) . . ? N1 C48 H48A 109.5 . . ? N1 C48 H48B 109.5 . . ? N1 C48 H48C 109.5 . . ? H48A C48 H48B 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? H13A O13 H13B 104.4 . . ? C4 C3 H3A 119.9 . . ? C4 C3 C2 120.1(5) . . ? C2 C3 H3A 119.9 . . ? C16 C15 C14 120.8(5) . . ? C16 C15 H15 119.6 . . ? C14 C15 H15 119.6 . . ? C32 C33 H33 119.8 . . ? C34 C33 C32 120.4(5) . . ? C34 C33 H33 119.8 . . ? C54 C53 C52 121.9(5) . . ? C54 C53 H53 119.0 . . ? C52 C53 H53 119.0 . . ? C7 C8 C9 176.5(6) . . ? O3 C2 C3 118.7(6) . . ? O3 C2 C1 121.1(5) . . ? C1 C2 C3 120.2(5) . . ? N1 C49 H49A 109.5 . . ? N1 C49 H49B 109.5 . . ? N1 C49 H49C 109.5 . . ? H49A C49 H49B 109.5 . . ? H49A C49 H49C 109.5 . . ? H49B C49 H49C 109.5 . . ? C52 C51 N2 121.6(5) . . ? C56 C51 N2 117.8(5) . . ? C56 C51 C52 120.5(5) . . ? C44 C45 H45 119.3 . . ? C46 C45 C44 121.4(4) . . ? C46 C45 H45 119.3 . . ? C25 C24 H24 119.5 . . ? C23 C24 C25 121.1(5) . . ? C23 C24 H24 119.5 . . ? N2 C58 H58A 109.5 . . ? N2 C58 H58B 109.5 . . ? N2 C58 H58C 109.5 . . ? H58A C58 H58B 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C35 C34 H34 119.8 . . ? C33 C34 C35 120.4(5) . . ? C33 C34 H34 119.8 . . ? C6 C1 C18 119.4(5) . . ? C2 C1 C6 119.1(5) . . ? C2 C1 C18 121.6(5) . . ? C38 O7 Na3 123.0(5) . . ? C54 C55 H55 119.4 . . ? C56 C55 C54 121.3(5) . . ? C56 C55 H55 119.4 . . ? C51 C56 C55 119.6(5) . . ? C51 C56 H56 120.2 . . ? C55 C56 H56 120.2 . . ? C24 C23 H23 119.9 . . ? C24 C23 C22 120.2(5) . . ? C22 C23 H23 119.9 . . ? O8 C22 C21 121.4(6) . . ? O8 C22 C23 118.7(6) . . ? C23 C22 C21 119.9(5) . . ? H15A O15 H15B 110.0 . . ? Na2 O15 H15A 112.5 . . ? Na2 O15 H15B 112.5 . . ? Na2 O15 Na3 96.1(2) . . ? Na3 O15 H15A 112.5 . . ? Na3 O15 H15B 112.5 . . ? N2 C59 H59A 109.5 . . ? N2 C59 H59B 109.5 . . ? N2 C59 H59C 109.5 . . ? H59A C59 H59B 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? O9 C38 C21 119.5(6) . . ? O9 C38 O7 124.9(7) . . ? O7 C38 C21 115.5(7) . . ? H13C O13A H13D 104.5 . . ? O1 Na2 O14 105.93(19) . . ? O1 Na2 O9 147.0(2) . . ? O1 Na2 C18 21.69(17) . . ? O1 Na2 Na3 82.72(15) . . ? O16 Na2 O1 87.72(18) . . ? O16 Na2 O14 98.65(17) . . ? O16 Na2 O9 89.7(2) . . ? O16 Na2 C18 97.23(17) . . ? O16 Na2 O15 174.4(3) . . ? O16 Na2 Na3 133.48(13) . . ? O14 Na2 C18 123.22(19) . . ? O14 Na2 Na3 127.78(14) . . ? O9 Na2 O14 107.0(2) . . ? O9 Na2 C18 127.2(2) . . ? O9 Na2 Na3 75.36(18) . . ? C18 Na2 Na3 62.23(13) . . ? O15 Na2 O1 94.5(3) . . ? O15 Na2 O14 85.71(19) . . ? O15 Na2 O9 85.6(3) . . ? O15 Na2 C18 83.2(3) . . ? O15 Na2 Na3 42.07(14) . . ? O2 Na3 O2 88.4(3) . 2_655 ? O2 Na3 O7 175.1(2) 2_655 . ? O2 Na3 O7 175.1(2) . 2_655 ? O2 Na3 O7 88.6(2) . . ? O2 Na3 O7 88.6(2) 2_655 2_655 ? O2 Na3 O15 89.4(3) . 2_655 ? O2 Na3 O15 89.6(3) 2_655 2_655 ? O2 Na3 O15 89.6(3) . . ? O2 Na3 O15 89.4(3) 2_655 . ? O2 Na3 Na2 116.17(17) . 2_655 ? O2 Na3 Na2 60.98(15) 2_655 2_655 ? O2 Na3 Na2 60.98(15) . . ? O2 Na3 Na2 116.17(17) 2_655 . ? O7 Na3 O7 94.6(4) 2_655 . ? O7 Na3 Na2 65.40(19) . . ? O7 Na3 Na2 117.3(2) . 2_655 ? O7 Na3 Na2 65.40(19) 2_655 2_655 ? O7 Na3 Na2 117.3(2) 2_655 . ? O15 Na3 O7 86.6(3) 2_655 . ? O15 Na3 O7 94.4(3) 2_655 2_655 ? O15 Na3 O7 86.6(3) . 2_655 ? O15 Na3 O7 94.4(3) . . ? O15 Na3 O15 178.6(5) 2_655 . ? O15 Na3 Na2 138.15(15) 2_655 . ? O15 Na3 Na2 41.78(15) . . ? O15 Na3 Na2 41.78(15) 2_655 2_655 ? O15 Na3 Na2 138.16(15) . 2_655 ? Na2 Na3 Na2 176.47(14) 2_655 . ? 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 Na1 O11 2.445(4) . ? Na1 O11 2.445(4) 2_665 ? Na1 O6 2.478(5) . ? Na1 O6 2.478(5) 2_665 ? Na1 O18 2.332(4) 2_665 ? Na1 O18 2.332(4) . ? O12 H12 0.8400 . ? O12 C32 1.349(6) . ? O11 C37 1.294(6) . ? O10 C37 1.247(7) . ? O5 C17 1.251(7) . ? O6 C17 1.285(7) 2_664 ? O1 C18 1.241(8) . ? O1 Na2 2.355(5) . ? O18 H18A 0.9522 . ? O18 H18B 0.9590 . ? O16 H16A 0.8749 . ? O16 H16B 0.8753 . ? O16 Na2 2.326(4) . ? N1 C41 1.493(6) . ? N1 C47 1.511(6) . ? N1 C48 1.516(7) . ? N1 C49 1.511(6) . ? O4 H4 0.8400 . ? O4 C11 1.352(6) . ? O3 H3 0.8400 . ? O3 C2 1.350(7) . ? O2 C18 1.288(7) . ? O2 Na3 2.341(5) . ? O8 H8 0.8400 . ? O8 C22 1.346(7) . ? O14 H14A 0.9761 . ? O14 H14B 0.9556 . ? O14 Na2 2.384(6) . ? N2 C57 1.494(7) . ? N2 C51 1.494(6) . ? N2 C58 1.498(7) . ? N2 C59 1.513(7) . ? O9 C38 1.212(10) . ? O9 Na2 2.375(5) . ? O17 H17A 0.8679 . ? O17 H17B 0.8698 . ? C41 C46 1.388(7) . ? C41 C42 1.385(7) . ? C32 C31 1.404(7) . ? C32 C33 1.391(8) . ? C35 C36 1.396(7) . ? C35 C30 1.435(7) . ? C35 C34 1.390(8) . ? C13 H13 0.9500 . ? C13 C12 1.398(7) . ? C13 C14 1.401(7) . ? C54 C44 1.489(6) . ? C54 C53 1.390(7) . ? C54 C55 1.400(7) . ? C37 C31 1.498(7) . ? C12 C17 1.495(7) . ? C12 C11 1.407(8) . ? C5 C6 1.391(7) . ? C5 C7 1.434(7) . ? C5 C4 1.401(7) . ? C44 C43 1.389(7) . ? C44 C45 1.397(7) . ? C28 C29 1.371(7) . ? C28 C27 1.204(7) . ? C31 C36 1.387(7) . ? C29 C30 1.202(7) . ? C6 H6 0.9500 . ? C6 C1 1.408(7) . ? C18 C1 1.504(8) . ? C18 Na2 3.073(6) . ? C57 H57A 0.9800 . ? C57 H57B 0.9800 . ? C57 H57C 0.9800 . ? C36 H36 0.9500 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C11 C16 1.399(8) . ? C21 C26 1.393(7) . ? C21 C22 1.409(9) . ? C21 C38 1.509(9) . ? C27 C25 1.426(7) . ? C25 C26 1.387(7) . ? C25 C24 1.398(7) . ? C7 C8 1.197(8) . ? C43 H43 0.9500 . ? C43 C42 1.383(7) . ? C46 H46 0.9500 . ? C46 C45 1.383(7) . ? C16 H16 0.9500 . ? C16 C15 1.374(8) . ? C42 H42 0.9500 . ? C26 H26 0.9500 . ? C14 C10 1.427(7) . ? C14 C15 1.408(8) . ? C10 C9 1.215(8) . ? C52 H52 0.9500 . ? C52 C53 1.393(7) . ? C52 C51 1.387(8) . ? C4 H4A 0.9500 . ? C4 C3 1.365(8) . ? C9 C8 1.364(8) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? O13 H13A 0.8695 . ? O13 H13B 0.8709 . ? C3 H3A 0.9500 . ? C3 C2 1.398(8) . ? C15 H15 0.9500 . ? C33 H33 0.9500 . ? C33 C34 1.386(8) . ? C53 H53 0.9500 . ? C2 C1 1.392(8) . ? C49 H49A 0.9800 . ? C49 H49B 0.9800 . ? C49 H49C 0.9800 . ? C51 C56 1.383(8) . ? C45 H45 0.9500 . ? C24 H24 0.9500 . ? C24 C23 1.382(8) . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C34 H34 0.9500 . ? O7 C38 1.280(9) . ? O7 Na3 2.398(7) . ? C55 H55 0.9500 . ? C55 C56 1.392(7) . ? C56 H56 0.9500 . ? C23 H23 0.9500 . ? C23 C22 1.389(10) . ? O15 H15A 0.9900 . ? O15 H15B 0.9900 . ? O15 Na2 2.332(6) . ? O15 Na3 2.345(5) . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? O13A H13C 0.8708 . ? O13A H13D 0.8689 . ? Na2 Na3 3.480(2) . ? 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 Na1 O11 C37 O10 -48.0(7) . . . . ? Na1 O11 C37 C31 132.5(4) . . . . ? O12 C32 C31 C37 -2.1(8) . . . . ? O12 C32 C31 C36 -179.9(5) . . . . ? O12 C32 C33 C34 179.6(5) . . . . ? O11 C37 C31 C32 -1.2(7) . . . . ? O11 C37 C31 C36 176.6(5) . . . . ? O10 C37 C31 C32 179.3(5) . . . . ? O10 C37 C31 C36 -3.0(8) . . . . ? O1 C18 C1 C6 -0.4(8) . . . . ? O1 C18 C1 C2 179.5(5) . . . . ? N1 C41 C46 C45 178.6(5) . . . . ? N1 C41 C42 C43 -178.7(5) . . . . ? O4 C11 C16 C15 178.9(5) . . . . ? O3 C2 C1 C6 -178.7(5) . . . . ? O3 C2 C1 C18 1.5(8) . . . . ? O2 C18 C1 C6 179.6(5) . . . . ? O2 C18 C1 C2 -0.5(8) . . . . ? N2 C51 C56 C55 178.9(5) . . . . ? C41 C46 C45 C44 0.1(8) . . . . ? C32 C31 C36 C35 -0.1(7) . . . . ? C32 C33 C34 C35 0.6(9) . . . . ? C13 C12 C17 O5 -3.0(8) . . . . ? C13 C12 C17 O6 177.7(5) . . . 2_666 ? C13 C12 C11 O4 -178.9(5) . . . . ? C13 C12 C11 C16 0.7(8) . . . . ? C13 C14 C15 C16 1.7(8) . . . . ? C54 C44 C43 C42 177.1(5) . . . . ? C54 C44 C45 C46 -177.2(5) . . . . ? C54 C55 C56 C51 -0.6(9) . . . . ? C37 C31 C36 C35 -177.9(5) . . . . ? C12 C13 C14 C10 179.4(5) . . . . ? C12 C13 C14 C15 -1.7(8) . . . . ? C12 C11 C16 C15 -0.7(8) . . . . ? C5 C6 C1 C18 179.6(5) . . . . ? C5 C6 C1 C2 -0.2(8) . . . . ? C5 C4 C3 C2 -2.3(9) . . . . ? C44 C54 C53 C52 -180.0(5) . . . . ? C44 C54 C55 C56 -179.8(5) . . . . ? C44 C43 C42 C41 0.1(9) . . . . ? C31 C32 C33 C34 -1.4(8) . . . . ? C17 C12 C11 O4 0.9(8) . . . . ? C17 C12 C11 C16 -179.4(5) . . . . ? C6 C5 C4 C3 1.8(8) . . . . ? C57 N2 C51 C52 -120.5(5) . . . . ? C57 N2 C51 C56 60.6(6) . . . . ? C36 C35 C34 C33 0.5(8) . . . . ? C47 N1 C41 C46 -123.3(5) . . . . ? C47 N1 C41 C42 56.6(6) . . . . ? C11 C12 C17 O5 177.1(5) . . . . ? C11 C12 C17 O6 -2.2(8) . . . 2_666 ? C11 C16 C15 C14 -0.5(8) . . . . ? C27 C25 C26 C21 -177.3(5) . . . . ? C27 C25 C24 C23 176.8(5) . . . . ? C25 C24 C23 C22 1.0(9) . . . . ? C7 C5 C6 C1 178.7(5) . . . . ? C7 C5 C4 C3 -177.4(6) . . . . ? C43 C44 C45 C46 1.2(8) . . . . ? C46 C41 C42 C43 1.2(8) . . . . ? C42 C41 C46 C45 -1.3(8) . . . . ? C26 C21 C22 O8 -179.8(6) . . . . ? C26 C21 C22 C23 0.7(9) . . . . ? C26 C21 C38 O9 1.2(11) . . . . ? C26 C21 C38 O7 177.2(7) . . . . ? C26 C25 C24 C23 -0.2(8) . . . . ? C30 C35 C36 C31 179.3(5) . . . . ? C30 C35 C34 C33 -179.6(5) . . . . ? C14 C13 C12 C17 -179.3(5) . . . . ? C14 C13 C12 C11 0.6(8) . . . . ? C10 C14 C15 C16 -179.4(5) . . . . ? C52 C51 C56 C55 0.0(8) . . . . ? C4 C5 C6 C1 -0.5(8) . . . . ? C4 C3 C2 O3 180.0(6) . . . . ? C4 C3 C2 C1 1.5(9) . . . . ? C48 N1 C41 C46 116.7(5) . . . . ? C48 N1 C41 C42 -63.4(6) . . . . ? C3 C2 C1 C6 -0.2(8) . . . . ? C3 C2 C1 C18 180.0(5) . . . . ? C33 C32 C31 C37 179.0(5) . . . . ? C33 C32 C31 C36 1.2(7) . . . . ? C53 C54 C44 C43 31.1(7) . . . . ? C53 C54 C44 C45 -150.5(5) . . . . ? C53 C54 C55 C56 0.8(8) . . . . ? C53 C52 C51 N2 -178.6(5) . . . . ? C53 C52 C51 C56 0.3(8) . . . . ? C49 N1 C41 C46 -3.1(7) . . . . ? C49 N1 C41 C42 176.8(5) . . . . ? C51 C52 C53 C54 0.0(8) . . . . ? C45 C44 C43 C42 -1.3(8) . . . . ? C24 C25 C26 C21 -0.3(8) . . . . ? C24 C23 C22 O8 179.2(6) . . . . ? C24 C23 C22 C21 -1.2(9) . . . . ? C58 N2 C51 C52 0.5(7) . . . . ? C58 N2 C51 C56 -178.4(5) . . . . ? C34 C35 C36 C31 -0.8(8) . . . . ? C55 C54 C44 C43 -148.3(5) . . . . ? C55 C54 C44 C45 30.1(7) . . . . ? C55 C54 C53 C52 -0.5(8) . . . . ? C22 C21 C26 C25 0.1(9) . . . . ? C22 C21 C38 O9 -179.0(7) . . . . ? C22 C21 C38 O7 -3.0(10) . . . . ? C59 N2 C51 C52 118.4(6) . . . . ? C59 N2 C51 C56 -60.5(6) . . . . ? C38 C21 C26 C25 179.9(6) . . . . ? C38 C21 C22 O8 0.5(9) . . . . ? C38 C21 C22 C23 -179.1(6) . . . . ? Na2 O1 C18 O2 4.7(8) . . . . ? Na2 O1 C18 C1 -175.2(4) . . . . ? Na2 O9 C38 C21 174.7(5) . . . . ? Na2 O9 C38 O7 -1.0(12) . . . . ? Na2 C18 C1 C6 -12.8(17) . . . . ? Na2 C18 C1 C2 167.0(12) . . . . ? Na3 O2 C18 O1 -57.4(10) . . . . ? Na3 O2 C18 C1 122.6(6) . . . . ? Na3 O2 C18 Na2 -54.0(6) . . . . ? Na3 O7 C38 O9 56.5(13) . . . . ? Na3 O7 C38 C21 -119.4(6) . . . . ? loop_ _twin_individual_id _twin_individual_mass_fraction_refined 1 0.60(16) 2 0.40(16) _cod_database_fobs_code 2312717