#------------------------------------------------------------------------------ #$Date: 2019-11-24 15:42:51 +0200 (Sun, 24 Nov 2019) $ #$Revision: 238397 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/52/1555217.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1555217 loop_ _publ_author_name 'Pisagatti, Ilenia' 'Barbera, Lucia' 'Gattuso, Giuseppe' 'Parisi, Melchiorre F.' 'Geremia, Silvano' 'Hickey, Neal' 'Notti, Anna' _publ_section_title ; Guest-length driven high fidelity self-sorting in supramolecular capsule formation of calix[5]arenes in water ; _journal_issue 22 _journal_name_full 'Organic Chemistry Frontiers' _journal_page_first 3804 _journal_paper_doi 10.1039/C9QO01188A _journal_volume 6 _journal_year 2019 _chemical_formula_moiety 'C63 H86 O30 Na5 S5' _chemical_formula_sum 'C63.25 H86 Na5 O29.95 S5' _chemical_formula_weight 1600.77 _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary direct _atom_sites_solution_secondary direct _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.4.3 _audit_creation_date 2019-07-19T14:00:59-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _audit_update_record ; 2019-07-19 deposited with the CCDC. 2019-10-14 downloaded from the CCDC. ; _cell_angle_alpha 99.044(6) _cell_angle_beta 97.039(18) _cell_angle_gamma 99.079(11) _cell_formula_units_Z 2 _cell_length_a 12.150(2) _cell_length_b 12.2260(15) _cell_length_c 26.113(4) _cell_measurement_reflns_used 29405 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 23.55 _cell_measurement_theta_min 0.79 _cell_measurement_wavelength 0.7 _cell_volume 3739.3(10) _computing_cell_refinement 'XDS (Kabasch, 2010)' _computing_data_collection 'Elettra XRD1 Synchrotron Data Collection SW' _computing_data_reduction XDS _computing_molecular_graphics 'ORTEP-3 for Windows (Farrugia, 2012)' _computing_publication_material 'WinGX publication routines (Farrugia, 2012)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXS-2013 (Sheldrick, 2008)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.982 _diffrn_measured_fraction_theta_max 0.819 _diffrn_measurement_device 'Area Detector' _diffrn_measurement_device_type 'Dectris Pilatus 2M' _diffrn_measurement_method 'Rotating Crystal' _diffrn_radiation_probe x-ray _diffrn_radiation_type Synchrotron _diffrn_radiation_wavelength 0.7 _diffrn_reflns_av_unetI/netI 0.0652 _diffrn_reflns_Laue_measured_fraction_full 0.982 _diffrn_reflns_Laue_measured_fraction_max 0.819 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_limit_l_min -38 _diffrn_reflns_number 39350 _diffrn_reflns_point_group_measured_fraction_full 0.982 _diffrn_reflns_point_group_measured_fraction_max 0.819 _diffrn_reflns_theta_full 24.835 _diffrn_reflns_theta_max 33.546 _diffrn_reflns_theta_min 0.787 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.223 _exptl_absorpt_correction_type none _exptl_crystal_colour Colourless _exptl_crystal_density_diffrn 1.422 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Plates _exptl_crystal_F_000 1680 _exptl_crystal_size_max 0.05 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.01 _refine_diff_density_max 1.32 _refine_diff_density_min -0.975 _refine_diff_density_rms 0.141 _refine_ls_extinction_coef 0.049(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2014/7 (Sheldrick 2014' _refine_ls_goodness_of_fit_ref 1.036 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 0 _refine_ls_number_parameters 1133 _refine_ls_number_reflns 39350 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.037 _refine_ls_R_factor_all 0.1558 _refine_ls_R_factor_gt 0.1449 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1469P)^2^+22.9882P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.37 _refine_ls_wR_factor_ref 0.3778 _reflns_Friedel_coverage 0 _reflns_number_gt 34261 _reflns_number_total 39350 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9qo01188a2.cif _cod_data_source_block shelx _cod_database_code 1555217 _shelx_res_file ; shelx.res created by SHELXL-2014/7 TITL SIR2011 run in space group P -1 CELL 0.70000 12.1500 12.2260 26.1130 99.044 97.039 99.079 ZERR 2.00 0.0024 0.0015 0.0035 0.006 0.018 0.011 LATT 1 SFAC C H O NA S DISP C 0.00313 0.00161 6.46 DISP H 0.00000 0.00000 0.67 DISP O 0.01089 0.00607 24.30 DISP S 0.12501 0.12394 496.43 DISP Na 0.03675 0.02501 100.19 UNIT 126.5 172 59.9 10 10 MERG 2 OMIT -6 9 1 OMIT -5 9 2 OMIT 8 -8 1 OMIT 10 -5 4 OMIT -4 10 2 OMIT -10 1 0 OMIT 4 -7 6 OMIT 1 10 0 OMIT 6 -6 3 OMIT -13 5 4 OMIT 9 -6 1 OMIT -5 6 3 OMIT 9 -6 9 OMIT -7 4 2 OMIT 6 -9 -1 OMIT 6 -9 -1 OMIT 10 -1 0 OMIT -4 7 -6 OMIT 10 -1 0 OMIT 5 -9 -2 OMIT 5 -9 -2 OMIT 4 -10 -2 OMIT 10 -5 2 OMIT -1 -10 0 OMIT 4 -10 -2 OMIT -1 -10 0 OMIT 13 -5 -4 OMIT 7 -4 -2 EADP S1L S1LA EADP O1N O1NA O1M O1MA O1O O1OA EADP C3J C3JA EXYZ C3J C3JA EADP C4J C4JA EXYZ C4J C4JA EADP C4H C4HA EXYZ C4H C4HA DFIX 1.43 C3M3 O3M3 C4M4 O4M4 FMAP 2 PLAN 20 ACTA BOND LIST 4 L.S. 6 TEMP -173.00 WGHT 0.146900 22.988199 EXTI 0.048785 BASF 0.09605 FVAR 5.81753 C1A 1 0.222980 -0.011079 0.043137 11.00000 0.02657 0.01595 = 0.03097 0.00235 0.00583 0.00530 C1B 1 0.312532 0.061272 0.076753 11.00000 0.02910 0.01809 = 0.03374 0.00602 0.00803 0.00262 AFIX 43 H1B 2 0.381626 0.082520 0.064306 11.00000 -1.20000 AFIX 0 C1C 1 0.301258 0.102620 0.128541 11.00000 0.02041 0.01185 = 0.03559 0.00462 0.00486 0.00637 C1D 1 0.200039 0.070817 0.146011 11.00000 0.02327 0.01386 = 0.03161 0.00281 0.00575 0.00624 C1E 1 0.109913 -0.003791 0.114009 11.00000 0.01981 0.01346 = 0.03695 0.00226 0.00625 0.00746 C1F 1 0.124250 -0.044031 0.062370 11.00000 0.02344 0.01140 = 0.03712 0.00037 0.00431 0.00721 AFIX 43 H1F 2 0.064385 -0.095432 0.039947 11.00000 -1.20000 AFIX 0 O1G 3 0.188545 0.113153 0.197905 11.00000 0.02789 0.01504 = 0.03184 0.00155 0.00509 0.00950 C1H 1 0.148865 0.217296 0.203702 11.00000 0.03185 0.01574 = 0.03583 0.00213 0.00850 0.01085 AFIX 23 H1H1 2 0.071428 0.207235 0.184507 11.00000 -1.20000 H1H2 2 0.198551 0.274013 0.189720 11.00000 -1.20000 AFIX 0 C1I 1 0.150196 0.255087 0.262227 11.00000 0.03917 0.02349 = 0.03472 0.00479 0.00937 0.00762 AFIX 23 H1I1 2 0.229163 0.272917 0.280219 11.00000 -1.20000 H1I2 2 0.109771 0.192677 0.276560 11.00000 -1.20000 AFIX 0 C1J 1 0.094961 0.358417 0.273468 11.00000 0.05126 0.03251 = 0.04013 0.00645 0.01258 0.02617 AFIX 23 HIJ1 2 0.135524 0.421377 0.259533 11.00000 -1.20000 HIJ2 2 0.015876 0.341031 0.255635 11.00000 -1.20000 AFIX 0 C1K 1 0.097612 0.393205 0.332355 11.00000 0.06885 0.05811 = 0.04009 0.00321 0.01132 0.04568 AFIX 23 H1K1 2 0.176377 0.407051 0.350417 11.00000 -1.20000 H1K2 2 0.053773 0.331755 0.346022 11.00000 -1.20000 AFIX 0 PART 1 S1L 5 0.037480 0.521338 0.345637 10.65000 0.06145 0.04405 = 0.04810 0.00259 0.01902 0.03188 O1M 3 -0.077489 0.489089 0.316796 10.65000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 O1N 3 0.098905 0.613746 0.328440 10.65000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 O1O 3 0.042977 0.542324 0.402845 10.65000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 PART 2 S1LA 5 -0.003441 0.479439 0.345664 10.35000 0.06145 0.04405 = 0.04810 0.00259 0.01902 0.03188 O1MA 3 -0.113460 0.426179 0.316970 10.35000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 O1NA 3 0.055823 0.589264 0.332050 10.35000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 O1OA 3 -0.018382 0.495803 0.398631 10.35000 0.07399 0.04242 = 0.07546 0.00972 0.02460 0.03356 PART 0 C1P 1 0.234816 -0.052717 -0.013272 11.00000 0.03862 0.03230 = 0.03209 -0.00307 0.00809 0.00270 AFIX 3 H1P1 2 0.194949 -0.130730 -0.024169 11.00000 -1.50000 H1P2 2 0.314797 -0.049207 -0.016416 11.00000 -1.50000 H1P3 2 0.202252 -0.005303 -0.035776 11.00000 -1.50000 AFIX 0 C1Q 1 0.001072 -0.041457 0.134069 11.00000 0.01931 0.01273 = 0.04646 0.00216 0.01119 0.00633 AFIX 23 H1Q1 2 -0.060352 -0.012377 0.114980 11.00000 -1.20000 H1Q2 2 0.008820 -0.007893 0.171676 11.00000 -1.20000 AFIX 0 C2A 1 -0.152357 -0.344803 0.083586 11.00000 0.01493 0.01830 = 0.03483 -0.00048 0.00674 0.00082 C2B 1 -0.121312 -0.226522 0.090270 11.00000 0.02451 0.01826 = 0.03163 0.00224 0.00561 0.00504 AFIX 43 H2B 2 -0.162330 -0.186242 0.068749 11.00000 -1.20000 AFIX 0 C2C 1 -0.031700 -0.168284 0.127844 11.00000 0.02068 0.01147 = 0.03646 0.00162 0.00693 0.00457 C2D 1 0.027229 -0.227365 0.159345 11.00000 0.02084 0.01511 = 0.02922 -0.00195 0.00550 0.00112 C2E 1 0.002737 -0.345018 0.152750 11.00000 0.01980 0.01508 = 0.03142 0.00090 0.00769 0.00318 C2F 1 -0.089182 -0.400795 0.114696 11.00000 0.02161 0.01531 = 0.03738 -0.00025 0.00735 0.00298 AFIX 43 H2F 2 -0.108684 -0.480441 0.110185 11.00000 -1.20000 AFIX 0 O2G 3 0.114046 -0.167701 0.198693 11.00000 0.01648 0.02218 = 0.03355 -0.00407 0.00509 -0.00035 C2H 1 0.071233 -0.136636 0.246936 11.00000 0.02085 0.02698 = 0.03398 -0.00609 0.00668 0.00192 AFIX 23 H2H1 2 0.043786 -0.204763 0.261062 11.00000 -1.20000 H2H2 2 0.007690 -0.096316 0.240701 11.00000 -1.20000 AFIX 0 C2I 1 0.166187 -0.061394 0.285325 11.00000 0.02889 0.02151 = 0.03512 0.00023 0.00345 0.00190 AFIX 23 H2I1 2 0.203154 -0.002161 0.268027 11.00000 -1.20000 H2I2 2 0.223099 -0.106365 0.296070 11.00000 -1.20000 AFIX 0 C2J 1 0.123478 -0.006104 0.334034 11.00000 0.03927 0.02715 = 0.03218 -0.00184 0.00438 0.00687 AFIX 23 H2J1 2 0.060185 0.031409 0.323232 11.00000 -1.20000 H2J2 2 0.095420 -0.064397 0.354012 11.00000 -1.20000 AFIX 0 C2K 1 0.217871 0.079666 0.368488 11.00000 0.05164 0.02949 = 0.03057 -0.00313 0.00204 0.00401 AFIX 23 H2K1 2 0.240541 0.141195 0.349290 11.00000 -1.20000 H2K2 2 0.283917 0.043248 0.375744 11.00000 -1.20000 AFIX 0 S2L 5 0.179617 0.137515 0.428485 11.00000 0.09488 0.03120 = 0.03030 -0.00262 0.00160 0.02774 O2M 3 0.078744 0.177479 0.415669 11.00000 0.12870 0.07736 = 0.05574 -0.00255 0.01405 0.07596 O2N 3 0.269065 0.232168 0.453011 11.00000 0.15060 0.03377 = 0.04284 -0.00986 -0.01854 0.00735 O2O 3 0.170283 0.049277 0.459191 11.00000 0.09803 0.04285 = 0.03647 0.00807 0.01349 0.01756 C2P 1 -0.252071 -0.406289 0.045059 11.00000 0.02125 0.02378 = 0.04328 -0.00146 -0.00055 0.00149 AFIX 3 H2P1 2 -0.239324 -0.395726 0.009681 11.00000 -1.50000 H2P2 2 -0.319419 -0.376603 0.053335 11.00000 -1.50000 H2P3 2 -0.262949 -0.486735 0.046713 11.00000 -1.50000 AFIX 0 C2Q 1 0.070726 -0.408999 0.186680 11.00000 0.03082 0.01721 = 0.03023 0.00240 0.00834 0.00881 AFIX 23 H2Q1 2 0.120415 -0.354173 0.215420 11.00000 -1.20000 H2Q2 2 0.018074 -0.458705 0.202821 11.00000 -1.20000 AFIX 0 C3A 1 0.151548 -0.643132 0.091068 11.00000 0.03102 0.01124 = 0.03619 0.00445 0.00665 0.00335 C3B 1 0.090503 -0.576890 0.120609 11.00000 0.01824 0.01316 = 0.04203 0.00728 0.00708 0.00422 AFIX 43 H3B 2 0.010748 -0.597948 0.115897 11.00000 -1.20000 AFIX 0 C3C 1 0.142515 -0.479843 0.157213 11.00000 0.01998 0.01446 = 0.03474 0.00683 0.00645 0.00582 C3D 1 0.260884 -0.453227 0.164426 11.00000 0.02014 0.01565 = 0.03266 0.00347 0.00362 0.00276 C3E 1 0.324790 -0.515944 0.134574 11.00000 0.01954 0.01658 = 0.03796 0.00728 0.00328 0.00451 C3F 1 0.266895 -0.610968 0.097998 11.00000 0.02987 0.01366 = 0.03751 0.00563 0.00705 0.01031 AFIX 43 H3F 2 0.309147 -0.654521 0.077319 11.00000 -1.20000 AFIX 0 O3G 3 0.317554 -0.358782 0.199975 11.00000 0.02595 0.03119 = 0.03817 -0.00714 0.00212 -0.00114 PART 1 C3H 1 0.342283 -0.406464 0.251933 10.45000 0.06612 0.02098 = 0.03864 -0.00323 -0.01069 0.02444 AFIX 23 H3H2 2 0.271113 -0.426436 0.265940 10.45000 -1.20000 H3H1 2 0.375042 -0.475410 0.244488 10.45000 -1.20000 AFIX 0 C3I 1 0.419489 -0.323258 0.289891 10.45000 0.09609 0.11773 = 0.03051 -0.00518 0.00607 -0.06603 AFIX 23 H3I1 2 0.390257 -0.251946 0.296133 10.45000 -1.20000 H3I2 2 0.493945 -0.308098 0.278130 10.45000 -1.20000 AFIX 0 C3J 1 0.428426 -0.377035 0.340916 10.45000 0.16047 0.11149 = 0.04647 0.00895 0.01489 0.04789 AFIX 23 H3J1 2 0.401855 -0.459320 0.330532 10.45000 -1.20000 H3J2 2 0.508978 -0.364935 0.356278 10.45000 -1.20000 AFIX 0 C3K 1 0.371451 -0.338455 0.377931 10.45000 0.03665 0.07457 = 0.05566 0.00451 -0.00521 -0.00060 AFIX 23 H3K1 2 0.290536 -0.360548 0.363046 10.45000 -1.20000 H3K2 2 0.389340 -0.255258 0.383045 10.45000 -1.20000 AFIX 0 S3L 5 0.385058 -0.373543 0.440312 10.45000 0.06080 0.03426 = 0.04079 0.01023 -0.00747 -0.00849 O3M 3 0.320416 -0.298066 0.467917 10.45000 0.08365 0.02260 = 0.11051 0.01180 -0.00738 0.00924 O3N 3 0.337691 -0.489822 0.434586 10.45000 0.03577 0.03215 = 0.04895 -0.00025 0.00770 -0.00079 O3O 3 0.501727 -0.335935 0.462914 10.45000 0.00778 0.02124 = 0.10353 -0.00181 0.01103 0.00178 PART 2 C3HA 1 0.318231 -0.350886 0.254175 10.55000 0.03013 0.03477 = 0.02850 -0.00368 0.00226 0.00419 AFIX 23 H3H3 2 0.247475 -0.395195 0.260732 10.55000 -1.20000 H3H4 2 0.322061 -0.271333 0.270481 10.55000 -1.20000 AFIX 0 C3IA 1 0.416562 -0.393892 0.278460 10.55000 0.05998 0.03589 = 0.03384 0.00483 0.00504 -0.00471 AFIX 23 H3I3 2 0.486375 -0.354420 0.268687 10.55000 -1.20000 H3I4 2 0.408728 -0.475095 0.264062 10.55000 -1.20000 AFIX 0 C3JA 1 0.428426 -0.377035 0.340916 10.55000 0.16047 0.11149 = 0.04647 0.00895 0.01489 0.04789 AFIX 23 H3J3 2 0.447268 -0.295239 0.355090 10.55000 -1.20000 H3J4 2 0.353974 -0.405355 0.350286 10.55000 -1.20000 AFIX 0 C3KA 1 0.505913 -0.427567 0.365355 10.55000 0.08327 0.05878 = 0.05401 0.00632 -0.00025 0.02778 AFIX 23 H3K3 2 0.581694 -0.386059 0.363400 10.55000 -1.20000 H3K4 2 0.499205 -0.504653 0.345255 10.55000 -1.20000 AFIX 0 S3LA 5 0.499209 -0.437752 0.430656 10.55000 0.13545 0.03541 = 0.03505 0.00024 -0.00449 -0.01785 O3MA 3 0.496498 -0.332015 0.461138 10.55000 0.17465 0.08464 = 0.01941 -0.00996 -0.02289 -0.03326 O3NA 3 0.401887 -0.519216 0.433352 10.55000 0.11753 0.04999 = 0.08357 0.02700 -0.03807 -0.02728 O3OA 3 0.603628 -0.482563 0.449423 10.55000 0.14593 0.06030 = 0.08001 0.00882 -0.01152 0.00810 PART 0 C3P 1 0.092038 -0.748171 0.052960 11.00000 0.02928 0.01196 = 0.04969 -0.00142 0.00515 0.00399 AFIX 3 H3P1 2 0.014663 -0.768506 0.059889 11.00000 -1.50000 H3P2 2 0.132598 -0.810154 0.057214 11.00000 -1.50000 H3P3 2 0.090519 -0.733817 0.017022 11.00000 -1.50000 AFIX 0 C3Q 1 0.451217 -0.483981 0.140639 11.00000 0.01960 0.01382 = 0.04594 0.00761 0.00279 0.00746 AFIX 23 H3Q1 2 0.481777 -0.547727 0.122886 11.00000 -1.20000 H3Q2 2 0.482635 -0.470170 0.178369 11.00000 -1.20000 AFIX 0 C4A 1 0.487375 -0.277588 0.044902 11.00000 0.02312 0.02400 = 0.03410 0.00275 0.00427 0.00505 C4B 1 0.452018 -0.372320 0.066452 11.00000 0.02202 0.02230 = 0.03420 0.00027 0.00213 0.00101 AFIX 43 H4B 2 0.400560 -0.433908 0.045112 11.00000 -1.20000 AFIX 0 C4C 1 0.489444 -0.379551 0.117911 11.00000 0.01801 0.01540 = 0.03723 -0.00015 0.00500 0.00458 C4D 1 0.564893 -0.287829 0.148424 11.00000 0.01735 0.01773 = 0.03274 0.00031 0.00689 0.00574 C4E 1 0.598526 -0.188730 0.129493 11.00000 0.01873 0.02067 = 0.03751 0.00086 0.00968 0.00228 C4F 1 0.558389 -0.186028 0.077555 11.00000 0.02342 0.01967 = 0.03819 0.00477 0.00946 0.00442 AFIX 43 H4F 2 0.580122 -0.119586 0.063925 11.00000 -1.20000 AFIX 0 O4G 3 0.610272 -0.294971 0.199250 11.00000 0.02021 0.01914 = 0.03552 0.00253 0.00230 0.00793 PART 1 C4H 1 0.714245 -0.338044 0.199743 10.60000 0.03714 0.03805 = 0.04268 -0.00272 -0.00312 0.02315 AFIX 23 H4H1 2 0.772372 -0.282339 0.189744 10.60000 -1.20000 H4H2 2 0.702321 -0.408097 0.173357 10.60000 -1.20000 AFIX 0 C4I 1 0.755563 -0.361992 0.252094 10.60000 0.04502 0.01947 = 0.01986 0.00353 -0.00408 0.01788 AFIX 23 H4I1 2 0.829703 -0.385422 0.250876 10.60000 -1.20000 H4I2 2 0.702713 -0.426245 0.259220 10.60000 -1.20000 AFIX 0 C4J 1 0.768124 -0.263355 0.297624 10.60000 0.05175 0.07797 = 0.04422 -0.01840 -0.01191 0.03850 AFIX 23 H4J1 2 0.698072 -0.231498 0.297305 10.60000 -1.20000 H4J2 2 0.831357 -0.203184 0.295451 10.60000 -1.20000 AFIX 0 C4K 1 0.792107 -0.314006 0.348069 10.60000 0.05847 0.05235 = 0.05546 -0.01341 0.00321 0.01440 AFIX 23 H4K1 2 0.861349 -0.346747 0.346305 10.60000 -1.20000 H4K2 2 0.729269 -0.376672 0.347590 10.60000 -1.20000 AFIX 0 S4L 5 0.809308 -0.221283 0.409011 10.60000 0.06804 0.03390 = 0.03068 -0.00280 0.00169 0.01499 O4M 3 0.914187 -0.135163 0.412113 10.60000 0.06198 0.06170 = 0.09862 -0.03328 0.01378 -0.01825 O4N 3 0.831695 -0.289113 0.447620 10.60000 0.12291 0.05320 = 0.08739 0.02776 0.01737 0.05692 PART 2 C4HA 1 0.714245 -0.338044 0.199743 10.40000 0.03714 0.03805 = 0.04268 -0.00272 -0.00312 0.02315 AFIX 23 H4H3 2 0.698111 -0.419956 0.185770 10.40000 -1.20000 H4H4 2 0.762401 -0.300465 0.177317 10.40000 -1.20000 AFIX 0 C4IA 1 0.766315 -0.318871 0.247927 10.40000 0.20481 0.12406 = 0.07911 0.02807 0.02449 0.13771 AFIX 23 H4I3 2 0.844784 -0.293052 0.242550 10.40000 -1.20000 H4I4 2 0.765006 -0.396821 0.254191 10.40000 -1.20000 AFIX 0 C4JA 1 0.768124 -0.263355 0.297624 10.40000 0.05175 0.07797 = 0.04422 -0.01840 -0.01191 0.03850 AFIX 23 H4J3 2 0.697599 -0.297024 0.308944 10.40000 -1.20000 H4J4 2 0.760511 -0.185286 0.294211 10.40000 -1.20000 AFIX 0 C4KA 1 0.856590 -0.253219 0.341956 10.40000 0.01510 0.02590 = 0.02676 0.00075 -0.00315 0.00045 AFIX 23 H4K3 2 0.930398 -0.234155 0.330060 10.40000 -1.20000 H4K4 2 0.853212 -0.327608 0.352757 10.40000 -1.20000 AFIX 0 S4LA 5 0.851210 -0.154929 0.396034 10.40000 0.04099 0.03137 = 0.04423 -0.00621 0.00419 0.01294 O4MA 3 0.943215 -0.160155 0.439324 10.40000 0.04841 0.05860 = 0.03144 -0.02252 -0.03022 0.03366 O4NA 3 0.856243 -0.046092 0.377255 10.40000 0.04520 0.03312 = 0.07979 -0.00619 -0.00677 0.01201 PART 0 O4O 3 0.720876 -0.179985 0.412882 11.00000 0.11433 0.07007 = 0.04089 -0.00215 0.00445 0.01100 C4P 1 0.450210 -0.274925 -0.012184 11.00000 0.04423 0.03028 = 0.03601 0.00566 0.00476 0.00623 AFIX 3 H4P1 2 0.497590 -0.314143 -0.033760 11.00000 -1.50000 H4P2 2 0.457574 -0.196626 -0.017435 11.00000 -1.50000 H4P3 2 0.371329 -0.312466 -0.022409 11.00000 -1.50000 AFIX 0 C4Q 1 0.676718 -0.088922 0.164711 11.00000 0.01848 0.01437 = 0.04510 -0.00080 0.00377 0.00533 AFIX 23 H4Q1 2 0.676965 -0.098912 0.201617 11.00000 -1.20000 H4Q2 2 0.754263 -0.089057 0.156702 11.00000 -1.20000 AFIX 0 C5A 1 0.707056 0.215512 0.146489 11.00000 0.02180 0.02055 = 0.04399 0.00543 0.00765 -0.00228 C5B 1 0.728609 0.109659 0.149834 11.00000 0.02335 0.01970 = 0.03681 0.00212 0.00841 -0.00006 AFIX 43 H5B 2 0.801304 0.093909 0.145384 11.00000 -1.20000 AFIX 0 C5C 1 0.646559 0.023987 0.159625 11.00000 0.02272 0.01587 = 0.03104 0.00118 0.00683 0.00422 C5D 1 0.540360 0.047520 0.165472 11.00000 0.01919 0.01277 = 0.02926 0.00128 0.00458 0.00224 C5E 1 0.513318 0.153539 0.160515 11.00000 0.02485 0.01626 = 0.02956 0.00081 0.00436 0.00359 C5F 1 0.599415 0.236298 0.151395 11.00000 0.02894 0.01630 = 0.04064 0.00524 0.00530 0.00007 AFIX 43 H5F 2 0.583382 0.308849 0.148495 11.00000 -1.20000 AFIX 0 O5G 3 0.459531 -0.038612 0.173486 11.00000 0.02431 0.01720 = 0.03390 0.00353 0.00695 -0.00035 C5H 1 0.423100 -0.029158 0.224072 11.00000 0.02562 0.03074 = 0.03585 0.01048 0.00618 0.00126 AFIX 23 H5H1 2 0.365474 -0.095926 0.224414 11.00000 -1.20000 H5H2 2 0.387548 0.038301 0.230156 11.00000 -1.20000 AFIX 0 C5I 1 0.520025 -0.020142 0.268340 11.00000 0.02889 0.07053 = 0.03937 0.02316 0.00734 0.00290 AFIX 23 H5I1 2 0.580861 0.042610 0.266389 11.00000 -1.20000 H5I2 2 0.551132 -0.090610 0.264418 11.00000 -1.20000 AFIX 0 C5J 1 0.479009 0.000667 0.322059 11.00000 0.03309 0.06049 = 0.03883 0.01483 0.00415 0.00109 AFIX 23 H5J1 2 0.440043 0.066146 0.324347 11.00000 -1.20000 H5J2 2 0.424529 -0.066003 0.325637 11.00000 -1.20000 AFIX 0 C5K 1 0.578125 0.022964 0.366266 11.00000 0.05490 0.05451 = 0.04838 0.02252 -0.01002 -0.00536 AFIX 23 H5K1 2 0.626172 0.095881 0.365505 11.00000 -1.20000 H5K2 2 0.624068 -0.036563 0.360179 11.00000 -1.20000 AFIX 0 S5L 5 0.536809 0.026602 0.429185 11.00000 0.10892 0.04608 = 0.03472 0.01200 -0.01191 -0.01273 O5M 3 0.470006 -0.083406 0.427406 11.00000 0.17897 0.05696 = 0.04070 0.00746 0.02089 -0.03877 O5N 3 0.476036 0.118451 0.439201 11.00000 0.08834 0.05193 = 0.04726 0.01632 -0.00812 -0.00311 O5O 3 0.639854 0.041952 0.465346 11.00000 0.13476 0.05216 = 0.05629 0.00344 -0.03698 0.02040 C5P 1 0.796198 0.307799 0.136815 11.00000 0.03233 0.02684 = 0.06608 0.01344 0.01256 -0.00507 AFIX 3 H5P1 2 0.871313 0.291761 0.147494 11.00000 -1.50000 H5P2 2 0.788276 0.379815 0.157227 11.00000 -1.50000 H5P3 2 0.786497 0.311982 0.099402 11.00000 -1.50000 AFIX 0 C5Q 1 0.398280 0.183441 0.164632 11.00000 0.01870 0.01369 = 0.04101 0.00065 0.00395 0.00652 AFIX 23 H5Q1 2 0.398749 0.259945 0.156551 11.00000 -1.20000 H5Q2 2 0.384343 0.185830 0.201325 11.00000 -1.20000 AFIX 0 NA1 4 0.377639 0.153961 0.517348 11.00000 0.11890 0.05024 = 0.03630 0.00764 -0.01119 -0.01983 NA2 4 1.000000 0.000000 0.500000 10.50000 0.08768 0.04514 = 0.11668 -0.03262 0.05659 -0.00720 PART 1 NA3 4 0.304290 0.404247 0.508734 10.50000 0.08021 0.03581 = 0.05669 -0.00027 -0.00681 0.01484 PART 2 NA3A 4 0.225414 0.417512 0.494726 10.50000 0.07155 0.02712 = 0.08721 -0.00149 0.01986 0.00481 PART 0 NA4 4 0.361006 -0.201663 0.463525 10.50000 0.07168 0.04057 = 0.04980 0.00309 0.00618 -0.00571 NA5 4 0.737515 0.127796 0.541380 10.50000 0.08020 0.02405 = 0.10330 0.00459 -0.02754 0.01210 PART 1 NA6 4 -0.019779 0.651576 0.472945 10.50000 0.17852 0.12411 = 0.10011 0.04825 -0.03339 -0.04350 PART 2 NA6A 4 0.052777 0.693710 0.470999 10.50000 0.15783 0.14320 = 0.04409 -0.01293 -0.00472 0.13355 PART 0 NA7 4 -0.202772 0.342621 0.369221 10.50000 0.12834 0.10071 = 0.51111 0.00936 0.01818 0.04061 PART 1 C1M1 1 0.105553 -0.387204 0.020401 10.72500 0.04008 0.05433 = 0.06578 0.01658 0.02038 0.02628 AFIX 3 H1M1 2 0.138677 -0.434692 0.042690 10.72500 -1.50000 H2M1 2 0.062106 -0.434620 -0.011723 10.72500 -1.50000 H3M1 2 0.055644 -0.345789 0.039343 10.72500 -1.50000 AFIX 0 O1M1 3 0.188612 -0.313598 0.007927 10.72500 0.05597 0.06042 = 0.06719 0.01289 0.01055 0.00894 AFIX 3 H4M1 2 0.241051 -0.293415 0.033449 10.72500 -1.50000 AFIX 0 PART 2 C2M2 1 0.160471 -0.335411 0.041425 10.27500 0.04466 AFIX 3 H1M2 2 0.240194 -0.338027 0.051746 10.27500 -1.50000 H2M2 2 0.113562 -0.390950 0.056588 10.27500 -1.50000 H3M2 2 0.146221 -0.259977 0.054269 10.27500 -1.50000 AFIX 0 O2M2 3 0.132457 -0.361522 -0.015334 10.27500 0.07965 AFIX 3 H4M2 2 0.154751 -0.304238 -0.028829 10.27500 -1.50000 AFIX 0 PART 0 C3M3 1 0.435952 -0.678938 0.393328 10.75000 0.05515 0.03793 = 0.10079 0.02553 0.02609 0.00921 AFIX 3 H1M3 2 0.482016 -0.624694 0.377150 10.75000 -1.50000 H2M3 2 0.368283 -0.650012 0.401708 10.75000 -1.50000 H3M3 2 0.413817 -0.750877 0.368872 10.75000 -1.50000 AFIX 0 O3M3 3 0.492054 -0.693418 0.435407 10.75000 0.08344 0.03218 = 0.04511 0.00364 0.00961 0.00125 AFIX 3 H4M3 2 0.560317 -0.688168 0.431760 10.75000 -1.50000 AFIX 0 PART 1 O4M4 3 -0.121698 0.145420 0.334015 10.50000 0.08486 AFIX 3 H4M4 2 -0.186856 0.153577 0.339516 10.50000 -1.50000 AFIX 0 C4M4 1 -0.154249 0.115831 0.278291 10.50000 0.07579 AFIX 3 H1M4 2 -0.147374 0.186521 0.264714 10.50000 -1.50000 H2M4 2 -0.224271 0.065644 0.260830 10.50000 -1.50000 H3M4 2 -0.089816 0.079556 0.271453 10.50000 -1.50000 AFIX 0 PART 2 O5M5 3 -0.180449 0.205316 0.357045 10.50000 0.09747 AFIX 3 H4M5 2 -0.144724 0.264286 0.376902 10.50000 -1.50000 AFIX 0 C5M5 1 -0.169605 0.132213 0.313285 10.50000 0.10022 AFIX 33 H1M5 2 -0.157472 0.060352 0.323034 10.50000 -1.50000 H2M5 2 -0.238449 0.119757 0.287688 10.50000 -1.50000 H3M5 2 -0.105132 0.164209 0.297815 10.50000 -1.50000 AFIX 0 O6M6 3 -0.429369 0.299665 0.355638 10.50000 0.06736 C6M6 1 -0.400707 0.341748 0.288670 10.50000 0.07466 O1W 3 0.277725 -0.214312 0.112440 10.80000 0.04946 0.03116 = 0.08417 0.01284 0.01740 0.01807 O3W 3 0.117299 0.407770 0.468777 10.50000 0.10188 0.03032 = 0.05177 0.00256 0.00438 0.00051 O4W 3 -0.027347 0.637473 0.534120 10.50000 0.12438 0.04628 = 0.17298 -0.00424 0.05232 0.02848 O5W 3 -0.087405 0.134983 0.469976 10.50000 0.10746 0.06451 = 0.05150 -0.00690 0.00653 0.02985 O6W 3 0.849711 0.099321 0.455498 10.50000 0.03684 0.13762 = 0.10376 0.07759 0.00519 0.01337 O7W 3 0.809937 0.196540 0.589345 10.50000 0.07891 0.03785 = 0.08762 0.00884 -0.00843 0.03048 O8W 3 0.902140 0.233331 0.588531 10.50000 0.09188 0.03022 = 0.06827 -0.00533 -0.01678 0.01501 O9W 3 0.657410 -0.566433 0.428455 10.50000 0.19701 0.03647 = 0.09812 -0.00169 -0.02908 0.03343 O10W 3 0.760802 0.333221 0.503121 10.50000 0.11667 0.12336 = 0.19904 0.11338 -0.05878 -0.08239 O11W 3 0.840541 0.404115 0.481833 10.50000 0.08707 0.04353 = 0.12302 0.00311 0.01574 0.03124 O12W 3 -0.084381 0.262296 0.439480 10.50000 0.07744 0.03955 = 0.10969 0.00773 0.00939 0.03222 O14W 3 -0.327414 0.423581 0.321682 10.30000 0.11663 O15W 3 -0.465761 0.286675 0.301035 10.40000 0.10246 O16W 3 -0.313995 0.341688 0.332138 10.20000 0.13566 HKLF 5 REM SIR2011 run in space group P -1 REM R1 = 0.1449 for 34261 Fo > 4sig(Fo) and 0.1558 for all 39350 data REM 1133 parameters refined using 2 restraints END WGHT 0.1469 22.9897 REM Highest difference peak 1.320, deepest hole -0.975, 1-sigma level 0.141 Q1 1 0.4421 -0.3986 0.4288 11.00000 0.05 1.32 Q2 1 0.1602 0.1255 0.3952 11.00000 0.05 0.99 Q3 1 0.7855 -0.3400 0.4178 11.00000 0.05 0.97 Q4 1 0.5215 0.0197 0.3955 11.00000 0.05 0.90 Q5 1 0.0208 0.4999 0.3107 11.00000 0.05 0.87 Q6 1 0.1860 0.1419 0.4606 11.00000 0.05 0.86 Q7 1 0.0396 0.5165 0.3742 11.00000 0.05 0.84 Q8 1 0.7863 -0.3021 0.4129 11.00000 0.05 0.84 Q9 1 0.0540 0.4606 0.3569 11.00000 0.05 0.77 Q10 1 0.1488 0.2331 0.2312 11.00000 0.05 0.75 Q11 1 0.5517 0.0389 0.4593 11.00000 0.05 0.75 Q12 1 0.1273 -0.1609 0.2330 11.00000 0.05 0.71 Q13 1 0.0696 -0.4142 0.1553 11.00000 0.05 0.70 Q14 1 0.1229 -0.0453 0.0282 11.00000 0.05 0.70 Q15 1 -0.2719 0.3623 0.3344 11.00000 0.05 0.69 Q16 1 0.2574 -0.6193 0.0653 11.00000 0.05 0.67 Q17 1 -0.0132 0.4569 0.3608 11.00000 0.05 0.67 Q18 1 0.2586 -0.4612 0.1338 11.00000 0.05 0.66 Q19 1 0.7709 -0.5378 0.4248 11.00000 0.05 0.66 Q20 1 0.0583 0.6968 0.5051 11.00000 0.05 0.66 ; _shelx_res_checksum 22018 _shelx_hkl_file ; 0 0 1 115420 6788 -2 0 0 -1 115420 6788 1 0 0 -3 302762 17814 -2 0 0 3 302762 17814 1 0 0 3 246490 14511 -2 0 0 -3 246490 14511 1 0 0 -515777.00 944.65 -2 0 0 515777.00 944.65 1 0 0 518504.00 1105.29 -2 0 0 -518504.00 1105.29 1 0 0 -673774.00 4349.82 -2 0 0 673774.00 4349.82 1 0 0 678446.00 4626.00 -2 0 0 -678446.00 4626.00 1 0 0 -8 334637 19701 -2 0 0 8 334637 19701 1 0 0 8 387111 22785 -2 0 0 -8 387111 22785 1 0 0 -982509.00 4866.51 -2 0 0 982509.00 4866.51 1 0 0 986179.00 5081.70 -2 0 0 -986179.00 5081.70 1 0 0 -10 464326 27330 -2 0 0 10 464326 27330 1 0 0 10 421058 24776 -2 0 0 -10 421058 24776 1 0 0 -11 4230.15 298.96 -2 0 0 11 4230.15 298.96 1 0 0 11 4271.57 296.55 -2 0 0 -11 4271.57 296.55 1 0 0 -1270782.00 4176.06 -2 0 0 1270782.00 4176.06 1 0 0 1263234.00 3731.87 -2 0 0 -1263234.00 3731.87 1 0 0 -13 166168 9783 -2 0 0 13 166168 9783 1 0 0 13 144419 8503 -2 0 0 -13 144419 8503 1 0 0 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-2 3 11 1723625.00 1422.32 1 11 3 1720898.00 1262.37 -2 -3 -11 -1720898.00 1262.37 1 -11 -3 -18 9249.70 594.71 -2 3 11 18 9249.70 594.71 1 11 3 18 8929.79 565.36 -2 -3 -11 -18 8929.79 565.36 1 -11 -3 -19 -7.72 169.62 -2 3 11 19 -7.72 169.62 1 11 3 19 284.58 143.38 -2 -3 -11 -19 284.58 143.38 1 -11 -3 -2015972.00 976.52 -2 3 11 2015972.00 976.52 1 11 3 2015811.00 956.85 -2 -3 -11 -2015811.00 956.85 1 -11 -3 -21 2176.06 221.75 -2 3 11 21 2176.06 221.75 1 11 3 21 2156.50 211.97 -2 -3 -11 -21 2156.50 211.97 1 -11 -3 -22 164.21 159.84 -2 3 11 22 164.21 159.84 1 12 3 -32 310.70 159.61 -2 -3 -12 32 310.70 159.61 1 -12 -3 31 2634.06 305.41 -2 3 12 -31 2634.06 305.41 1 12 3 -31 2027.62 205.64 -2 -3 -12 31 2027.62 205.64 1 -12 -3 30 76.21 238.21 -2 3 12 -30 76.21 238.21 1 12 3 -30 204.95 169.27 -2 -3 -12 30 204.95 169.27 1 -12 -3 29 319.68 263.98 -2 3 12 -29 319.68 263.98 1 12 3 -29 451.55 188.26 -2 -3 -12 29 451.55 188.26 1 -12 -3 28 195.74 236.02 -2 3 12 -28 195.74 236.02 1 12 3 -28 30.33 179.75 -2 -3 -12 28 30.33 179.75 1 -12 -3 27 7.85 237.63 -2 3 12 -27 7.85 237.63 1 12 3 -27 415.65 174.22 -2 -3 -12 27 415.65 174.22 1 12 3 -26 381.01 166.40 -2 -3 -12 26 381.01 166.40 1 -12 -3 25 1507.48 265.71 -2 3 12 -25 1507.48 265.71 1 12 3 -25 1392.40 193.44 -2 -3 -12 25 1392.40 193.44 1 12 3 -25 1242.81 203.91 -2 -3 -12 25 1242.81 203.91 1 -12 -3 24 -120.60 231.65 -2 3 12 -24 -120.60 231.65 1 12 3 -24 69.22 183.89 -2 -3 -12 24 69.22 183.89 1 12 3 -24 75.36 171.58 -2 -3 -12 24 75.36 171.58 1 -12 -3 23 1735.33 259.72 -2 3 12 -23 1735.33 259.72 1 12 3 -23 1920.60 214.38 -2 -3 -12 23 1920.60 214.38 1 12 3 -23 1460.30 222.55 -2 -3 -12 23 1460.30 222.55 1 -12 -3 22 1845.80 268.58 -2 3 12 -22 1845.80 268.58 1 12 3 -22 1716.91 220.02 -2 -3 -12 22 1716.91 220.02 1 12 3 -22 1994.24 227.73 -2 -3 -12 22 1994.24 227.73 1 -12 -3 21 409.09 224.97 -2 3 12 -21 409.09 224.97 1 12 3 -21 556.04 197.47 -2 -3 -12 21 556.04 197.47 1 12 3 -21 231.65 171.00 -2 -3 -12 21 231.65 171.00 1 -12 -3 20 1444.19 240.39 -2 3 12 -20 1444.19 240.39 1 12 3 -20 1261.22 206.56 -2 -3 -12 20 1261.22 206.56 1 12 3 -20 1301.49 196.20 -2 -3 -12 20 1301.49 196.20 1 12 3 -19 1029.11 178.71 -2 -3 -12 19 1029.11 178.71 1 12 3 -19 901.38 188.95 -2 -3 -12 19 901.38 188.95 1 12 3 -18 1062.37 192.63 -2 -3 -12 18 1062.37 192.63 1 12 3 -18 1181.82 188.84 -2 -3 -12 18 1181.82 188.84 1 12 3 -17 536.71 198.16 -2 -3 -12 17 536.71 198.16 1 12 3 -17 961.10 185.38 -2 -3 -12 17 961.10 185.38 1 12 3 -16 1116.68 193.10 -2 -3 -12 16 1116.68 193.10 1 12 3 -15 8828.53 565.82 -2 -3 -12 15 8828.53 565.82 1 12 3 -14 1914.84 228.88 -2 -3 -12 14 1914.84 228.88 1 12 3 -14 1377.44 215.65 -2 -3 -12 14 1377.44 215.65 1 12 3 -13 5140.39 376.76 -2 -3 -12 13 5140.39 376.76 1 12 3 -12 4364.78 336.94 -2 -3 -12 12 4364.78 336.94 1 12 3 -11 1084.81 210.13 -2 -3 -12 11 1084.81 210.13 1 12 3 -1015121.00 930.72 -2 -3 -12 1015121.00 930.72 1 12 3 -1014522.00 893.78 -2 -3 -12 1014522.00 893.78 1 12 3 -9 5599.53 392.52 -2 -3 -12 9 5599.53 392.52 1 12 3 -9 4367.08 336.94 -2 -3 -12 9 4367.08 336.94 1 12 3 -8 6409.66 427.16 -2 -3 -12 8 6409.66 427.16 1 12 3 -8 5703.10 405.87 -2 -3 -12 8 5703.10 405.87 1 12 3 -712221.00 754.32 -2 -3 -12 712221.00 754.32 1 12 3 -712152.00 758.80 -2 -3 -12 712152.00 758.80 1 12 3 -6 4054.08 306.21 -2 -3 -12 6 4054.08 306.21 1 12 3 -6 4301.49 340.39 -2 -3 -12 6 4301.49 340.39 1 12 3 -5 4334.86 316.92 -2 -3 -12 5 4334.86 316.92 1 12 3 -5 4027.61 319.91 -2 -3 -12 5 4027.61 319.91 1 12 3 -4 3181.81 263.41 -2 -3 -12 4 3181.81 263.41 1 12 3 -4 2418.87 242.81 -2 -3 -12 4 2418.87 242.81 1 12 3 -3 4073.64 309.21 -2 -3 -12 3 4073.64 309.21 1 12 3 -3 3468.35 301.61 -2 -3 -12 3 3468.35 301.61 1 12 3 -210273.00 646.60 -2 -3 -12 210273.00 646.60 1 12 3 -1 2920.60 258.46 -2 -3 -12 1 2920.60 258.46 1 12 3 0 2689.30 253.63 -2 -3 -12 0 2689.30 253.63 1 -12 -3 -1 6889.52 452.47 -2 3 12 1 6889.52 452.47 1 12 3 1 7614.49 499.54 -2 -3 -12 -1 7614.49 499.54 1 12 3 1 8155.34 537.86 -2 -3 -12 -1 8155.34 537.86 1 -12 -3 -2 3371.69 280.32 -2 3 12 2 3371.69 280.32 1 12 3 2 3111.62 260.07 -2 -3 -12 -2 3111.62 260.07 1 12 3 3 932.45 173.53 -2 -3 -12 -3 932.45 173.53 1 12 3 415880.00 981.93 -2 -3 -12 -415880.00 981.93 1 12 3 413924.00 851.44 -2 -3 -12 -413924.00 851.44 1 -12 -3 -5 5933.25 399.31 -2 3 12 5 5933.25 399.31 1 12 3 5 6178.36 409.32 -2 -3 -12 -5 6178.36 409.32 1 12 3 5 6186.42 424.63 -2 -3 -12 -5 6186.42 424.63 1 -12 -3 -6 2622.55 229.00 -2 3 12 6 2622.55 229.00 1 12 3 6 2346.37 214.27 -2 -3 -12 -6 2346.37 214.27 1 -12 -3 -7 4269.27 309.67 -2 3 12 7 4269.27 309.67 1 12 3 7 4574.22 316.57 -2 -3 -12 -7 4574.22 316.57 1 -12 -3 -8 1100.23 177.68 -2 3 12 8 1100.23 177.68 1 12 3 8 1042.23 176.06 -2 -3 -12 -8 1042.23 176.06 1 -12 -3 -9 3658.22 289.07 -2 3 12 9 3658.22 289.07 1 12 3 9 3528.19 260.07 -2 -3 -12 -9 3528.19 260.07 1 -12 -3 -10 6217.48 412.20 -2 3 12 10 6217.48 412.20 1 12 3 10 6180.66 401.96 -2 -3 -12 -10 6180.66 401.96 1 -12 -3 -11 34.94 156.16 -2 3 12 11 34.94 156.16 1 12 3 11 53.69 136.94 -2 -3 -12 -11 53.69 136.94 1 -12 -3 -12 1155.35 182.62 -2 3 12 12 1155.35 182.62 1 12 3 12 1239.35 160.07 -2 -3 -12 -12 1239.35 160.07 1 -12 -3 -13 2207.13 223.36 -2 3 12 13 2207.13 223.36 1 12 3 13 2178.36 222.90 -2 -3 -12 -13 2178.36 222.90 1 -12 -3 -14 1140.97 188.72 -2 3 12 14 1140.97 188.72 1 12 3 15 551.21 188.95 -2 -3 -12 -15 551.21 188.95 1 -12 -3 -1626203.00 1571.92 -2 3 12 1626203.00 1571.92 1 12 3 1624511.00 1469.50 -2 -3 -12 -1624511.00 1469.50 1 -12 -3 -17 1730.72 214.84 -2 3 12 17 1730.72 214.84 1 12 3 17 1823.93 206.90 -2 -3 -12 -17 1823.93 206.90 1 -12 -3 -18 9417.71 600.80 -2 3 12 18 9417.71 600.80 1 12 3 18 8677.78 548.33 -2 -3 -12 -18 8677.78 548.33 1 -12 -3 -19 329.34 155.35 -2 3 12 19 329.34 155.35 1 12 3 19 447.53 169.04 -2 -3 -12 -19 447.53 169.04 1 -12 -3 -20 2395.85 234.06 -2 3 12 20 2395.85 234.06 1 -13 -3 30 -21.60 225.66 -2 3 13 -30 -21.60 225.66 1 13 3 -30 76.94 180.21 -2 -3 -13 30 76.94 180.21 1 13 3 -30 145.45 178.25 -2 -3 -13 30 145.45 178.25 1 -13 -3 29 184.81 246.49 -2 3 13 -29 184.81 246.49 1 13 3 -29 20.85 172.73 -2 -3 -13 29 20.85 172.73 1 13 3 -29 507.82 156.62 -2 -3 -13 29 507.82 156.62 1 -13 -3 28 1828.54 273.53 -2 3 13 -28 1828.54 273.53 1 13 3 -28 1787.11 206.67 -2 -3 -13 28 1787.11 206.67 1 13 3 -28 1933.25 227.39 -2 -3 -13 28 1933.25 227.39 1 -13 -3 27 174.91 251.21 -2 3 13 -27 174.91 251.21 1 13 3 -27 328.31 172.61 -2 -3 -13 27 328.31 172.61 1 13 3 -27 324.17 178.25 -2 -3 -13 27 324.17 178.25 1 -13 -3 26 3280.78 337.63 -2 3 13 -26 3280.78 337.63 1 13 3 -26 3178.36 266.17 -2 -3 -13 26 3178.36 266.17 1 13 3 -26 2981.58 266.28 -2 -3 -13 26 2981.58 266.28 1 -13 -3 25 209.21 249.94 -2 3 13 -25 209.21 249.94 1 13 3 -25 11.49 176.41 -2 -3 -13 25 11.49 176.41 1 13 3 -24 1119.10 200.23 -2 -3 -13 24 1119.10 200.23 1 -13 -3 23 1640.96 254.66 -2 3 13 -23 1640.96 254.66 1 13 3 -23 1512.08 228.08 -2 -3 -13 23 1512.08 228.08 1 13 3 -22 640.62 188.72 -2 -3 -13 22 640.62 188.72 1 13 3 -22 1273.88 204.72 -2 -3 -13 22 1273.88 204.72 1 13 3 -21 1075.14 193.10 -2 -3 -13 21 1075.14 193.10 1 13 3 -21 1046.49 194.94 -2 -3 -13 21 1046.49 194.94 1 13 3 -20 107.97 181.47 -2 -3 -13 20 107.97 181.47 1 13 3 -20 168.70 183.31 -2 -3 -13 20 168.70 183.31 1 13 3 -19 83.76 182.16 -2 -3 -13 19 83.76 182.16 1 13 3 -19 64.97 168.58 -2 -3 -13 19 64.97 168.58 1 13 3 -18 248.33 185.50 -2 -3 -13 18 248.33 185.50 1 13 3 -18 109.99 177.90 -2 -3 -13 18 109.99 177.90 1 13 3 -17 738.78 199.42 -2 -3 -13 17 738.78 199.42 1 13 3 -17 900.69 196.20 -2 -3 -13 17 900.69 196.20 1 13 3 -16 3367.09 284.46 -2 -3 -13 16 3367.09 284.46 1 13 3 -16 3307.25 281.93 -2 -3 -13 16 3307.25 281.93 1 13 3 -15 2930.95 259.95 -2 -3 -13 15 2930.95 259.95 1 13 3 -15 2833.14 257.77 -2 -3 -13 15 2833.14 257.77 1 13 3 -14 2432.68 251.67 -2 -3 -13 14 2432.68 251.67 1 13 3 -14 2616.80 248.10 -2 -3 -13 14 2616.80 248.10 1 13 3 -13 3034.52 274.34 -2 -3 -13 13 3034.52 274.34 1 13 3 -13 2922.90 262.02 -2 -3 -13 13 2922.90 262.02 1 13 3 -12 3718.06 306.67 -2 -3 -13 12 3718.06 306.67 1 13 3 -12 3265.82 276.06 -2 -3 -13 12 3265.82 276.06 1 13 3 -11 9842.34 628.54 -2 -3 -13 11 9842.34 628.54 1 13 3 -11 8341.76 544.53 -2 -3 -13 11 8341.76 544.53 1 13 3 -1025627.00 1537.40 -2 -3 -13 1025627.00 1537.40 1 13 3 -1022025.00 1330.26 -2 -3 -13 1022025.00 1330.26 1 13 3 -8 8165.70 533.60 -2 -3 -13 8 8165.70 533.60 1 13 3 -7 1846.95 223.93 -2 -3 -13 7 1846.95 223.93 1 13 3 -6 762.71 187.34 -2 -3 -13 6 762.71 187.34 1 13 3 -5 562.37 189.30 -2 -3 -13 5 562.37 189.30 1 13 3 -4 1499.42 215.54 -2 -3 -13 4 1499.42 215.54 1 13 3 -4 1353.28 185.50 -2 -3 -13 4 1353.28 185.50 1 13 3 -3 4583.42 334.06 -2 -3 -13 3 4583.42 334.06 1 13 3 -3 4286.53 320.83 -2 -3 -13 3 4286.53 320.83 1 13 3 -2 1927.50 209.67 -2 -3 -13 2 1927.50 209.67 1 13 3 -2 1922.90 210.47 -2 -3 -13 2 1922.90 210.47 1 13 3 -1 1903.34 207.48 -2 -3 -13 1 1903.34 207.48 1 13 3 -1 1981.59 218.07 -2 -3 -13 1 1981.59 218.07 1 13 3 0 2675.49 237.40 -2 -3 -13 0 2675.49 237.40 1 13 3 0 2846.95 261.22 -2 -3 -13 0 2846.95 261.22 1 13 3 1 1334.87 178.48 -2 -3 -13 -1 1334.87 178.48 1 13 3 1 1993.09 231.65 -2 -3 -13 -1 1993.09 231.65 1 -13 -3 -2 711.05 170.77 -2 3 13 2 711.05 170.77 1 13 3 2 761.56 187.57 -2 -3 -13 -2 761.56 187.57 1 13 3 2 921.29 168.35 -2 -3 -13 -2 921.29 168.35 1 -13 -3 -3 1058.69 185.85 -2 3 13 3 1058.69 185.85 1 13 3 3 1048.56 173.19 -2 -3 -13 -3 1048.56 173.19 1 13 3 3 1015.42 197.35 -2 -3 -13 -3 1015.42 197.35 1 -13 -3 -4 6598.38 443.73 -2 3 13 4 6598.38 443.73 1 13 3 4 7197.92 488.03 -2 -3 -13 -4 7197.92 488.03 1 13 3 4 6776.75 444.42 -2 -3 -13 -4 6776.75 444.42 1 -13 -3 -5 6802.06 453.86 -2 3 13 5 6802.06 453.86 1 13 3 5 7287.68 498.39 -2 -3 -13 -5 7287.68 498.39 1 13 3 5 7566.16 486.31 -2 -3 -13 -5 7566.16 486.31 1 -13 -3 -6 8431.52 537.86 -2 3 13 6 8431.52 537.86 1 13 3 6 7195.62 487.57 -2 -3 -13 -6 7195.62 487.57 1 13 3 6 7804.36 501.27 -2 -3 -13 -6 7804.36 501.27 1 -13 -3 -7 6378.59 424.17 -2 3 13 7 6378.59 424.17 1 13 3 7 6845.79 445.80 -2 -3 -13 -7 6845.79 445.80 1 13 3 7 7009.20 480.67 -2 -3 -13 -7 7009.20 480.67 1 -13 -3 -8 822.09 153.97 -2 3 13 8 822.09 153.97 1 13 3 8 1233.60 182.85 -2 -3 -13 -8 1233.60 182.85 1 -13 -3 -9 162.26 149.48 -2 3 13 9 162.26 149.48 1 13 3 9 266.17 166.40 -2 -3 -13 -9 266.17 166.40 1 -13 -3 -10 641.54 167.78 -2 3 13 10 641.54 167.78 1 -13 -3 -11 4156.50 312.43 -2 3 13 11 4156.50 312.43 1 13 3 11 4046.03 307.13 -2 -3 -13 -11 4046.03 307.13 1 13 3 12 284.81 166.97 -2 -3 -13 -12 284.81 166.97 1 -13 -3 -13 237.51 166.74 -2 3 13 13 237.51 166.74 1 13 3 13 199.88 150.86 -2 -3 -13 -13 199.88 150.86 1 -13 -3 -14 3113.92 265.48 -2 3 13 14 3113.92 265.48 1 13 3 14 2823.93 251.09 -2 -3 -13 -14 2823.93 251.09 1 -13 -3 -15 4234.75 317.26 -2 3 13 15 4234.75 317.26 1 13 3 15 3853.85 297.58 -2 -3 -13 -15 3853.85 297.58 1 -13 -3 -16 5065.59 359.26 -2 3 13 16 5065.59 359.26 1 13 3 16 4939.01 356.85 -2 -3 -13 -16 4939.01 356.85 1 -13 -3 -17 2017.26 210.59 -2 3 13 17 2017.26 210.59 1 14 3 -28 101.93 155.93 -2 -3 -14 28 101.93 155.93 1 -14 -3 27 2128.88 263.75 -2 3 14 -27 2128.88 263.75 1 14 3 -27 2256.61 236.48 -2 -3 -14 27 2256.61 236.48 1 14 3 -27 2651.32 222.67 -2 -3 -14 27 2651.32 222.67 1 14 3 -26 812.31 176.41 -2 -3 -14 26 812.31 176.41 1 14 3 -26 363.87 195.63 -2 -3 -14 26 363.87 195.63 1 14 3 -25 514.50 176.87 -2 -3 -14 25 514.50 176.87 1 14 3 -25 171.23 181.24 -2 -3 -14 25 171.23 181.24 1 14 3 -24 685.27 186.77 -2 -3 -14 24 685.27 186.77 1 14 3 -24 485.15 177.56 -2 -3 -14 24 485.15 177.56 1 14 3 -23 3976.98 318.53 -2 -3 -14 23 3976.98 318.53 1 14 3 -23 3979.28 313.12 -2 -3 -14 23 3979.28 313.12 1 14 3 -22 2011.51 236.48 -2 -3 -14 22 2011.51 236.48 1 14 3 -21 1571.92 222.09 -2 -3 -14 21 1571.92 222.09 1 14 3 -20 -107.00 175.83 -2 -3 -14 20 -107.00 175.83 1 14 3 -19 73.23 195.05 -2 -3 -14 19 73.23 195.05 1 14 3 -19 535.90 179.40 -2 -3 -14 19 535.90 179.40 1 14 3 -18 2652.47 240.39 -2 -3 -14 18 2652.47 240.39 1 14 3 -18 2364.78 240.16 -2 -3 -14 18 2364.78 240.16 1 14 3 -17 1088.72 196.32 -2 -3 -14 17 1088.72 196.32 1 14 3 -17 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7283.08 474.45 1 12 -9 011402.00 713.35 -2 9 -12 011402.00 713.35 1 12 -9 011441.00 711.05 -2 9 -12 011441.00 711.05 1 12 -9 -114281.00 879.29 -2 9 -12 114281.00 879.29 1 12 -9 -111468.00 711.85 -2 9 -12 111468.00 711.85 1 12 -9 -312601.00 781.24 -2 9 -12 312601.00 781.24 1 12 -9 -311749.00 728.77 -2 9 -12 311749.00 728.77 1 12 -9 -4 7197.92 480.44 -2 9 -12 4 7197.92 480.44 1 12 -9 -4 6288.83 429.00 -2 9 -12 4 6288.83 429.00 1 12 -9 -5 1787.11 209.55 -2 9 -12 5 1787.11 209.55 1 12 -9 -5 2074.80 245.34 -2 9 -12 5 2074.80 245.34 1 12 -9 -6 7803.21 507.13 -2 9 -12 6 7803.21 507.13 1 12 -9 -6 8833.13 576.29 -2 9 -12 6 8833.13 576.29 1 12 -9 -8 3895.28 296.09 -2 9 -12 8 3895.28 296.09 1 12 -9 -8 3659.38 310.70 -2 9 -12 8 3659.38 310.70 1 12 -9 -9 3468.35 280.90 -2 9 -12 9 3468.35 280.90 1 12 -9 -9 3431.53 297.70 -2 9 -12 9 3431.53 297.70 1 12 -9 -10 798.62 190.91 -2 9 -12 10 798.62 190.91 1 12 -9 -10 741.08 190.68 -2 9 -12 10 741.08 190.68 1 12 -9 -11 414.61 183.89 -2 9 -12 11 414.61 183.89 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241.20 1 12 -9 -23 2568.47 290.45 -2 9 -12 23 2568.47 290.45 1 12 -9 -24 200.23 176.29 -2 9 -12 24 200.23 176.29 1 -11 9 -24 82.14 160.53 -2 -9 11 24 82.14 160.53 1 11 -9 23 2029.92 218.99 -2 9 -11 -23 2029.92 218.99 1 -11 9 -23 1823.93 204.37 -2 -9 11 23 1823.93 204.37 1 11 -9 22 593.56 166.05 -2 9 -11 -22 593.56 166.05 1 -11 9 -22 360.41 145.34 -2 -9 11 22 360.41 145.34 1 11 -9 21 327.62 169.74 -2 9 -11 -21 327.62 169.74 1 -11 9 -21 182.05 163.87 -2 -9 11 21 182.05 163.87 1 11 -9 20 8405.05 545.11 -2 9 -11 -20 8405.05 545.11 1 -11 9 -20 9369.38 598.96 -2 -9 11 20 9369.38 598.96 1 11 -9 1920403.00 1225.55 -2 9 -11 -1920403.00 1225.55 1 -11 9 -1923487.00 1415.42 -2 -9 11 1923487.00 1415.42 1 11 -9 18 3497.12 273.07 -2 9 -11 -18 3497.12 273.07 1 -11 9 -18 4113.92 314.04 -2 -9 11 18 4113.92 314.04 1 -11 9 -17 165.25 165.82 -2 -9 11 17 165.25 165.82 1 11 -9 16 265.36 162.49 -2 9 -11 -16 265.36 162.49 1 -11 9 -16 359.49 161.79 -2 -9 11 16 359.49 161.79 1 11 -9 15 3903.33 296.09 -2 9 -11 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435.90 1 12 -11 -6 585.15 179.63 -2 11 -12 6 585.15 179.63 1 12 -11 -6 1017.61 213.58 -2 11 -12 6 1017.61 213.58 1 12 -11 -7 2652.47 244.42 -2 11 -12 7 2652.47 244.42 1 12 -11 -7 3192.17 285.39 -2 11 -12 7 3192.17 285.39 1 12 -11 -820610.00 1245.11 -2 11 -12 820610.00 1245.11 1 12 -11 -817894.00 1084.12 -2 11 -12 817894.00 1084.12 1 12 -11 -9 4903.33 355.12 -2 11 -12 9 4903.33 355.12 1 12 -11 -9 5448.79 381.59 -2 11 -12 9 5448.79 381.59 1 12 -11 -11 2032.22 219.45 -2 11 -12 11 2032.22 219.45 1 12 -11 -11 1622.55 222.32 -2 11 -12 11 1622.55 222.32 1 12 -11 -12 3903.33 331.64 -2 11 -12 12 3903.33 331.64 1 12 -11 -12 4652.47 335.90 -2 11 -12 12 4652.47 335.90 1 12 -11 -13 8158.79 523.47 -2 11 -12 13 8158.79 523.47 1 12 -11 -15 728.08 192.87 -2 11 -12 15 728.08 192.87 1 12 -11 -16 2355.58 251.67 -2 11 -12 16 2355.58 251.67 1 12 -11 -16 2276.18 237.86 -2 11 -12 16 2276.18 237.86 1 12 -11 -17 3983.89 309.09 -2 11 -12 17 3983.89 309.09 1 12 -11 -17 4446.49 330.95 -2 11 -12 17 4446.49 330.95 1 12 -11 -18 1738.78 207.71 -2 11 -12 18 1738.78 207.71 1 12 -11 -18 1099.42 190.79 -2 11 -12 18 1099.42 190.79 1 -12 11 18 1594.94 256.04 -2 -11 12 -18 1594.94 256.04 1 12 -11 -19 916.34 186.19 -2 11 -12 19 916.34 186.19 1 12 -11 -19 1239.35 185.27 -2 11 -12 19 1239.35 185.27 1 -12 11 19 839.70 256.85 -2 -11 12 -19 839.70 256.85 1 12 -11 -20 91.40 166.17 -2 11 -12 20 91.40 166.17 1 12 -11 -20 225.32 179.98 -2 11 -12 20 225.32 179.98 1 -12 11 20 24.36 242.92 -2 -11 12 -20 24.36 242.92 1 12 -11 -21 317.95 172.84 -2 11 -12 21 317.95 172.84 1 -11 11 -23 786.31 164.79 -2 -11 11 23 786.31 164.79 1 11 -11 22 273.42 180.09 -2 11 -11 -22 273.42 180.09 1 -11 11 -22 99.09 157.31 -2 -11 11 22 99.09 157.31 1 11 -11 21 2304.95 233.37 -2 11 -11 -21 2304.95 233.37 1 -11 11 -21 2124.28 213.35 -2 -11 11 21 2124.28 213.35 1 11 -11 20 106.95 173.53 -2 11 -11 -20 106.95 173.53 1 -11 11 -20 18.57 162.02 -2 -11 11 20 18.57 162.02 1 11 -11 19 660.76 178.60 -2 11 -11 -19 660.76 178.60 1 -11 11 -19 695.28 171.81 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3258.92 268.81 1 11 -11 11 7205.98 465.25 -2 11 -11 -11 7205.98 465.25 1 11 -11 11 7530.49 497.01 -2 11 -11 -11 7530.49 497.01 1 -11 11 -11 8127.72 527.39 -2 -11 11 11 8127.72 527.39 1 11 -11 10 5779.05 390.45 -2 11 -11 -10 5779.05 390.45 1 11 -11 10 6380.89 443.50 -2 11 -11 -10 6380.89 443.50 1 11 -11 9 7285.38 470.54 -2 11 -11 -9 7285.38 470.54 1 11 -11 9 7163.40 482.16 -2 11 -11 -9 7163.40 482.16 1 11 -11 8 1750.29 192.98 -2 11 -11 -8 1750.29 192.98 1 11 -11 8 1512.08 211.62 -2 11 -11 -8 1512.08 211.62 1 11 -11 719896.00 1199.08 -2 11 -11 -719896.00 1199.08 1 11 -11 721082.00 1270.42 -2 11 -11 -721082.00 1270.42 1 11 -11 6 6589.18 435.33 -2 11 -11 -6 6589.18 435.33 1 11 -11 6 5898.73 407.48 -2 11 -11 -6 5898.73 407.48 1 11 -11 5 6485.61 431.07 -2 11 -11 -5 6485.61 431.07 1 11 -11 5 6070.19 409.44 -2 11 -11 -5 6070.19 409.44 1 11 -11 4 4935.55 354.89 -2 11 -11 -4 4935.55 354.89 1 11 -11 4 5697.35 388.26 -2 11 -11 -4 5697.35 388.26 1 11 -11 3 6639.81 443.04 -2 11 -11 -3 6639.81 443.04 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304.72 -2 11 -11 7 3792.86 304.72 1 11 -11 -8 7420.02 485.61 -2 11 -11 8 7420.02 485.61 1 11 -11 -8 8426.92 545.22 -2 11 -11 8 8426.92 545.22 1 11 -11 -9 4064.44 309.55 -2 11 -11 9 4064.44 309.55 1 11 -11 -9 4787.11 348.45 -2 11 -11 9 4787.11 348.45 1 11 -11 -10 932.80 189.64 -2 11 -11 10 932.80 189.64 1 11 -11 -10 1430.38 202.07 -2 11 -11 10 1430.38 202.07 1 11 -11 -11 1487.92 200.46 -2 11 -11 11 1487.92 200.46 1 11 -11 -11 1616.80 201.96 -2 11 -11 11 1616.80 201.96 1 11 -11 -12 691.02 183.08 -2 11 -11 12 691.02 183.08 1 11 -11 -12 1067.09 185.50 -2 11 -11 12 1067.09 185.50 1 11 -11 -14 1020.14 193.67 -2 11 -11 14 1020.14 193.67 1 11 -11 -14 1658.23 221.29 -2 11 -11 14 1658.23 221.29 1 11 -11 -15 7199.07 479.40 -2 11 -11 15 7199.07 479.40 1 11 -11 -15 6598.38 445.11 -2 11 -11 15 6598.38 445.11 1 -11 11 15 8523.58 587.92 -2 -11 11 -15 8523.58 587.92 1 11 -11 -16 1785.96 217.03 -2 11 -11 16 1785.96 217.03 1 11 -11 -17 7804.36 509.67 -2 11 -11 17 7804.36 509.67 1 -11 11 17 7532.79 531.88 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155.93 1 -10 11 -24 211.28 167.43 -2 -11 10 24 211.28 167.43 1 10 -11 23 2393.55 224.63 -2 11 -10 -23 2393.55 224.63 1 -10 11 -23 2715.76 243.15 -2 -11 10 23 2715.76 243.15 1 10 -11 22 890.91 185.38 -2 11 -10 -22 890.91 185.38 1 -10 11 -22 974.91 175.14 -2 -11 10 22 974.91 175.14 1 10 -11 21 504.03 177.90 -2 11 -10 -21 504.03 177.90 1 -10 11 -21 321.63 162.26 -2 -11 10 21 321.63 162.26 1 10 -11 20 8852.70 563.75 -2 11 -10 -20 8852.70 563.75 1 -10 11 -19 1306.10 179.17 -2 -11 10 19 1306.10 179.17 1 10 -11 18 2201.38 216.80 -2 11 -10 -18 2201.38 216.80 1 -10 11 -18 2078.25 216.92 -2 -11 10 18 2078.25 216.92 1 10 -11 17 7939.00 506.21 -2 11 -10 -17 7939.00 506.21 1 -10 11 -17 7835.44 505.87 -2 -11 10 17 7835.44 505.87 1 10 -11 16 4349.82 331.30 -2 11 -10 -16 4349.82 331.30 1 10 -11 16 3841.19 290.22 -2 11 -10 -16 3841.19 290.22 1 -10 11 -16 4510.93 325.78 -2 -11 10 16 4510.93 325.78 1 10 -11 15 1539.70 225.20 -2 11 -10 -15 1539.70 225.20 1 10 -11 15 1676.64 193.44 -2 11 -10 -15 1676.64 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3767.55 245.80 -2 11 5 3 3767.55 245.80 1 5 11 3 3016.11 203.68 -2 -11 -5 -3 3016.11 203.68 1 5 11 3 2919.44 200.35 -2 -11 -5 -3 2919.44 200.35 1 -5 -11 -4 3247.41 218.76 -2 11 5 4 3247.41 218.76 1 5 11 4 3932.10 259.61 -2 -11 -5 -4 3932.10 259.61 1 -5 -11 -5 5115.07 329.57 -2 11 5 5 5115.07 329.57 1 5 11 5 4487.91 297.12 -2 -11 -5 -5 4487.91 297.12 1 -5 -11 -6 2344.07 189.99 -2 11 5 6 2344.07 189.99 1 5 11 6 2181.82 185.96 -2 -11 -5 -6 2181.82 185.96 1 -5 -11 -7 3247.41 240.51 -2 11 5 7 3247.41 240.51 1 5 11 8 124.63 130.03 -2 -11 -5 -8 124.63 130.03 1 -5 -11 -9 543.38 151.55 -2 11 5 9 543.38 151.55 1 5 11 9 436.94 122.56 -2 -11 -5 -9 436.94 122.56 1 -5 -11 -10 3339.47 251.44 -2 11 5 10 3339.47 251.44 1 5 11 10 3202.53 238.66 -2 -11 -5 -10 3202.53 238.66 1 -5 -11 -11 1818.18 188.84 -2 11 5 11 1818.18 188.84 1 5 11 11 1989.64 185.85 -2 -11 -5 -11 1989.64 185.85 1 -5 -11 -12 599.65 144.42 -2 11 5 12 599.65 144.42 1 5 11 12 799.54 145.80 -2 -11 -5 -12 799.54 145.80 1 -5 -11 -13 2074.80 196.89 -2 11 5 13 2074.80 196.89 1 5 11 13 2340.62 210.13 -2 -11 -5 -13 2340.62 210.13 1 -5 -11 -14 2059.84 203.57 -2 11 5 14 2059.84 203.57 1 5 11 14 2040.27 200.69 -2 -11 -5 -14 2040.27 200.69 1 -5 -11 -15 -152.59 148.10 -2 11 5 15 -152.59 148.10 1 5 11 16 7898.73 509.90 -2 -11 -5 -16 7898.73 509.90 1 -5 -11 -1717503.00 1063.06 -2 11 5 1717503.00 1063.06 1 5 11 1717641.00 1070.54 -2 -11 -5 -1717641.00 1070.54 1 -5 -11 -18 339.24 159.95 -2 11 5 18 339.24 159.95 1 5 11 18 554.78 182.39 -2 -11 -5 -18 554.78 182.39 1 -5 -11 -20 2219.79 210.82 -2 11 5 20 2219.79 210.82 1 5 11 20 2560.41 259.49 -2 -11 -5 -20 2560.41 259.49 1 -5 -11 -21 5548.90 378.02 -2 11 5 21 5548.90 378.02 1 -6 -11 27 28.26 197.01 -2 11 6 -27 28.26 197.01 1 6 11 -27 38.63 113.25 -2 -11 -6 27 38.63 113.25 1 -6 -11 26 145.57 175.14 -2 11 6 -26 145.57 175.14 1 6 11 -26 152.82 110.16 -2 -11 -6 26 152.82 110.16 1 -6 -11 25 872.61 179.52 -2 11 6 -25 872.61 179.52 1 6 11 -25 750.98 120.14 -2 -11 -6 25 750.98 120.14 1 6 11 -25 882.97 135.44 -2 -11 -6 25 882.97 135.44 1 -6 -11 24 50.61 154.66 -2 11 6 -24 50.61 154.66 1 6 11 -24 191.37 112.47 -2 -11 -6 24 191.37 112.47 1 6 11 -23 2276.18 174.80 -2 -11 -6 23 2276.18 174.80 1 6 11 -22 2402.76 176.06 -2 -11 -6 22 2402.76 176.06 1 6 11 -22 2611.04 195.28 -2 -11 -6 22 2611.04 195.28 1 6 11 -20 749.37 104.66 -2 -11 -6 20 749.37 104.66 1 6 11 -20 603.45 82.30 -2 -11 -6 20 603.45 82.30 1 6 11 2 1208.28 109.02 -2 -11 -6 -2 1208.28 109.02 1 6 11 2 922.32 104.42 -2 -11 -6 -2 922.32 104.42 1 -6 -11 -4 1212.89 134.29 -2 11 6 4 1212.89 134.29 1 6 11 4 1047.06 129.80 -2 -11 -6 -4 1047.06 129.80 1 -6 -11 -5 975.83 127.50 -2 11 6 5 975.83 127.50 1 6 11 5 787.57 127.62 -2 -11 -6 -5 787.57 127.62 1 -6 -11 -6 299.31 123.59 -2 11 6 6 299.31 123.59 1 6 11 7 810.47 134.64 -2 -11 -6 -7 810.47 134.64 1 -6 -11 -8 201.15 140.39 -2 11 6 8 201.15 140.39 1 6 11 8 148.68 130.38 -2 -11 -6 -8 148.68 130.38 1 -6 -11 -9 3911.39 288.38 -2 11 6 9 3911.39 288.38 1 6 11 9 3791.71 267.43 -2 -11 -6 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119.79 1 7 11 -23 130.15 95.66 -2 -11 -7 23 130.15 95.66 1 7 11 -22 109.13 95.34 -2 -11 -7 22 109.13 95.34 1 7 11 -22 170.54 97.47 -2 -11 -7 22 170.54 97.47 1 7 11 -21 72.43 83.51 -2 -11 -7 21 72.43 83.51 1 7 11 -21 99.26 92.52 -2 -11 -7 21 99.26 92.52 1 7 11 -20 70.21 75.96 -2 -11 -7 20 70.21 75.96 1 7 11 -20 110.61 91.32 -2 -11 -7 20 110.61 91.32 1 7 11 -19 4028.76 252.59 -2 -11 -7 19 4028.76 252.59 1 7 11 -19 4576.52 290.68 -2 -11 -7 19 4576.52 290.68 1 7 11 1 4291.13 272.61 -2 -11 -7 -1 4291.13 272.61 1 7 11 1 3830.84 251.21 -2 -11 -7 -1 3830.84 251.21 1 7 11 2 6667.43 414.15 -2 -11 -7 -2 6667.43 414.15 1 7 11 2 6285.38 390.10 -2 -11 -7 -2 6285.38 390.10 1 7 11 3 6117.37 386.19 -2 -11 -7 -3 6117.37 386.19 1 7 11 3 5822.78 369.51 -2 -11 -7 -3 5822.78 369.51 1 -7 -11 -4 4506.32 299.65 -2 11 7 4 4506.32 299.65 1 7 11 4 4638.66 312.08 -2 -11 -7 -4 4638.66 312.08 1 -7 -11 -5 250.52 120.14 -2 11 7 5 250.52 120.14 1 7 11 5 260.18 132.57 -2 -11 -7 -5 260.18 132.57 1 7 11 6 529.00 131.76 -2 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4.43 118.30 1 10 11 1 110.39 150.86 -2 -11 -10 -1 110.39 150.86 1 10 11 1 56.71 121.52 -2 -11 -10 -1 56.71 121.52 1 15 -12 6 515.65 180.44 -2 12 -15 -6 515.65 180.44 1 15 -12 5 1985.04 218.99 -2 12 -15 -5 1985.04 218.99 1 15 -12 4 2157.65 227.50 -2 12 -15 -4 2157.65 227.50 1 15 -12 3 3238.20 271.00 -2 12 -15 -3 3238.20 271.00 1 15 -12 2 1024.51 179.86 -2 12 -15 -2 1024.51 179.86 1 15 -12 2 1269.27 196.55 -2 12 -15 -2 1269.27 196.55 1 15 -12 1 429.69 180.09 -2 12 -15 -1 429.69 180.09 1 15 -12 1 434.75 159.61 -2 12 -15 -1 434.75 159.61 1 15 -12 0 815.65 184.35 -2 12 -15 0 815.65 184.35 1 15 -12 0 1105.52 196.43 -2 12 -15 0 1105.52 196.43 1 15 -12 -1 4558.11 341.66 -2 12 -15 1 4558.11 341.66 1 15 -12 -1 3949.36 308.40 -2 12 -15 1 3949.36 308.40 1 15 -12 -2 4841.19 355.81 -2 12 -15 2 4841.19 355.81 1 15 -12 -2 4675.48 347.76 -2 12 -15 2 4675.48 347.76 1 15 -12 -3 4084.00 316.45 -2 12 -15 3 4084.00 316.45 1 15 -12 -3 5008.05 366.74 -2 12 -15 3 5008.05 366.74 1 15 -12 -4 1621.40 226.35 -2 12 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158.92 -2 12 2 17 44.45 158.92 1 2 12 18 627.73 155.47 -2 -12 -2 -18 627.73 155.47 1 -2 -12 -19 111.12 151.44 -2 12 2 19 111.12 151.44 1 2 12 19 253.97 157.42 -2 -12 -2 -19 253.97 157.42 1 -2 -12 -20 924.16 166.05 -2 12 2 20 924.16 166.05 1 2 12 20 1081.24 179.98 -2 -12 -2 -20 1081.24 179.98 1 -2 -12 -21 -34.35 146.84 -2 12 2 21 -34.35 146.84 1 2 12 21 184.35 164.44 -2 -12 -2 -21 184.35 164.44 1 -2 -12 -22 64.88 141.31 -2 12 2 22 64.88 141.31 1 2 12 22 32.19 169.16 -2 -12 -2 -22 32.19 169.16 1 -3 -12 27 523.93 150.86 -2 12 3 -27 523.93 150.86 1 3 12 -27 127.62 125.43 -2 -12 -3 27 127.62 125.43 1 -3 -12 26 497.24 140.85 -2 12 3 -26 497.24 140.85 1 3 12 -26 356.85 113.83 -2 -12 -3 26 356.85 113.83 1 -3 -12 25 465.48 133.83 -2 12 3 -25 465.48 133.83 1 -3 -12 23 988.15 130.96 -2 12 3 -23 988.15 130.96 1 3 12 -23 1087.11 121.17 -2 -12 -3 23 1087.11 121.17 1 -3 -12 21 617.61 98.18 -2 12 3 -21 617.61 98.18 1 -3 -12 -5 6773.30 410.82 -2 12 3 5 6773.30 410.82 1 3 12 5 7347.52 444.76 -2 -12 -3 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12 3 18 6524.73 439.82 1 3 12 18 6036.82 404.83 -2 -12 -3 -18 6036.82 404.83 1 -3 -12 -19 942.81 164.67 -2 12 3 19 942.81 164.67 1 3 12 19 710.70 172.84 -2 -12 -3 -19 710.70 172.84 1 -3 -12 -20 271.46 154.09 -2 12 3 20 271.46 154.09 1 3 12 20 19.85 168.12 -2 -12 -3 -20 19.85 168.12 1 -3 -12 -21 31.43 160.41 -2 12 3 21 31.43 160.41 1 -4 -12 26 969.85 165.36 -2 12 4 -26 969.85 165.36 1 4 12 -25 1023.13 121.52 -2 -12 -4 25 1023.13 121.52 1 -4 -12 24 131.30 130.84 -2 12 4 -24 131.30 130.84 1 4 12 -24 185.85 89.33 -2 -12 -4 24 185.85 89.33 1 -4 -12 23 699.54 122.32 -2 12 4 -23 699.54 122.32 1 4 12 -23 725.32 102.54 -2 -12 -4 23 725.32 102.54 1 4 12 -23 620.60 91.28 -2 -12 -4 23 620.60 91.28 1 -4 -12 -5 2025.31 144.65 -2 12 4 5 2025.31 144.65 1 4 12 5 1898.73 147.64 -2 -12 -4 -5 1898.73 147.64 1 -4 -12 -6 5670.88 355.81 -2 12 4 6 5670.88 355.81 1 4 12 6 5386.65 344.76 -2 -12 -4 -6 5386.65 344.76 1 -4 -12 -7 699.54 125.43 -2 12 4 7 699.54 125.43 1 4 12 7 556.50 127.27 -2 -12 -4 -7 556.50 127.27 1 -4 -12 -8 374.91 128.31 -2 12 4 8 374.91 128.31 1 4 12 9 1456.85 172.15 -2 -12 -4 -9 1456.85 172.15 1 -4 -12 -10 705.41 150.06 -2 12 4 10 705.41 150.06 1 4 12 10 954.20 159.95 -2 -12 -4 -10 954.20 159.95 1 -4 -12 -11 94.22 149.02 -2 12 4 11 94.22 149.02 1 4 12 11 -52.51 154.20 -2 -12 -4 -11 -52.51 154.20 1 -4 -12 -12 3250.86 247.41 -2 12 4 12 3250.86 247.41 1 4 12 12 3219.79 236.71 -2 -12 -4 -12 3219.79 236.71 1 -4 -12 -13 877.33 150.52 -2 12 4 13 877.33 150.52 1 4 12 13 797.35 149.71 -2 -12 -4 -13 797.35 149.71 1 -4 -12 -14 5500.57 370.77 -2 12 4 14 5500.57 370.77 1 4 12 14 5686.99 379.06 -2 -12 -4 -14 5686.99 379.06 1 -4 -12 -15 4538.55 324.97 -2 12 4 15 4538.55 324.97 1 4 12 15 4360.18 311.39 -2 -12 -4 -15 4360.18 311.39 1 -4 -12 -16 3674.33 280.90 -2 12 4 16 3674.33 280.90 1 4 12 16 4277.33 315.19 -2 -12 -4 -16 4277.33 315.19 1 -4 -12 -17 525.66 150.29 -2 12 4 17 525.66 150.29 1 4 12 17 828.88 162.60 -2 -12 -4 -17 828.88 162.60 1 -4 -12 -18 851.90 156.73 -2 12 4 18 851.90 156.73 1 4 12 18 716.45 175.72 -2 -12 -4 -18 716.45 175.72 1 -4 -12 -19 1120.14 167.66 -2 12 4 19 1120.14 167.66 1 5 12 -24 1088.26 128.08 -2 -12 -5 24 1088.26 128.08 1 5 12 -24 840.28 100.55 -2 -12 -5 24 840.28 100.55 1 -5 -12 -5 514.73 93.69 -2 12 5 5 514.73 93.69 1 5 12 5 402.65 101.39 -2 -12 -5 -5 402.65 101.39 1 5 12 5 825.66 108.94 -2 -12 -5 -5 825.66 108.94 1 -5 -12 -6 3235.90 223.82 -2 12 5 6 3235.90 223.82 1 5 12 6 3276.18 230.15 -2 -12 -5 -6 3276.18 230.15 1 -5 -12 -7 2302.64 185.38 -2 12 5 7 2302.64 185.38 1 5 12 7 2566.17 198.50 -2 -12 -5 -7 2566.17 198.50 1 -5 -12 -8 4955.12 329.57 -2 12 5 8 4955.12 329.57 1 5 12 9 2578.82 210.59 -2 -12 -5 -9 2578.82 210.59 1 -5 -12 -10 69.02 141.43 -2 12 5 10 69.02 141.43 1 5 12 10 128.54 148.10 -2 -12 -5 -10 128.54 148.10 1 -5 -12 -11 854.20 160.64 -2 12 5 11 854.20 160.64 1 5 12 11 1035.10 171.46 -2 -12 -5 -11 1035.10 171.46 1 -5 -12 -12 326.70 134.06 -2 12 5 12 326.70 134.06 1 5 12 12 372.15 134.06 -2 -12 -5 -12 372.15 134.06 1 -5 -12 -13 2280.78 202.76 -2 12 5 13 2280.78 202.76 1 5 12 13 2257.77 207.94 -2 -12 -5 -13 2257.77 207.94 1 -5 -12 -14 309.67 136.71 -2 12 5 14 309.67 136.71 1 5 12 14 217.49 149.94 -2 -12 -5 -14 217.49 149.94 1 -5 -12 -15 285.04 144.65 -2 12 5 15 285.04 144.65 1 6 12 4 265.36 93.50 -2 -12 -6 -4 265.36 93.50 1 6 12 4 492.40 85.04 -2 -12 -6 -4 492.40 85.04 1 6 12 5 7918.29 486.88 -2 -12 -6 -5 7918.29 486.88 1 6 12 5 7104.71 442.46 -2 -12 -6 -5 7104.71 442.46 1 -6 -12 -6 872.61 121.75 -2 12 6 6 872.61 121.75 1 6 12 6 762.25 122.32 -2 -12 -6 -6 762.25 122.32 1 6 12 6 1017.03 141.54 -2 -12 -6 -6 1017.03 141.54 1 -6 -12 -7 126.70 112.40 -2 12 6 7 126.70 112.40 1 6 12 8 1463.75 164.90 -2 -12 -6 -8 1463.75 164.90 1 -6 -12 -9 129.23 135.90 -2 12 6 9 129.23 135.90 1 6 12 9 13.03 143.84 -2 -12 -6 -9 13.03 143.84 1 -6 -12 -10 140.51 146.26 -2 12 6 10 140.51 146.26 1 6 12 10 164.79 153.97 -2 -12 -6 -10 164.79 153.97 1 -6 -12 -11 -53.59 147.64 -2 12 6 11 -53.59 147.64 1 6 12 11 -94.29 135.33 -2 -12 -6 -11 -94.29 135.33 1 -6 -12 -12 459.26 132.22 -2 12 6 12 459.26 132.22 1 6 12 12 439.70 160.41 -2 -12 -6 -12 439.70 160.41 1 -6 -12 -13 5302.64 362.14 -2 12 6 13 5302.64 362.14 1 7 12 3 1011.05 112.86 -2 -12 -7 -3 1011.05 112.86 1 7 12 3 1073.88 103.51 -2 -12 -7 -3 1073.88 103.51 1 7 12 4 1417.72 131.41 -2 -12 -7 -4 1417.72 131.41 1 7 12 4 1576.52 148.33 -2 -12 -7 -4 1576.52 148.33 1 7 12 5 2434.98 198.39 -2 -12 -7 -5 2434.98 198.39 1 7 12 5 2124.28 173.19 -2 -12 -7 -5 2124.28 173.19 1 -7 -12 -6 5699.65 367.09 -2 12 7 6 5699.65 367.09 1 7 12 6 5285.38 355.12 -2 -12 -7 -6 5285.38 355.12 1 7 12 7 -6.46 137.51 -2 -12 -7 -7 -6.46 137.51 1 -7 -12 -8 1568.47 168.01 -2 12 7 8 1568.47 168.01 1 7 12 8 1598.39 181.82 -2 -12 -7 -8 1598.39 181.82 1 -7 -12 -9 500.69 146.26 -2 12 7 9 500.69 146.26 1 7 12 9 225.20 156.16 -2 -12 -7 -9 225.20 156.16 1 -7 -12 -10 108.88 143.61 -2 12 7 10 108.88 143.61 1 8 12 2 4490.21 289.76 -2 -12 -8 -2 4490.21 289.76 1 8 12 2 4677.79 294.94 -2 -12 -8 -2 4677.79 294.94 1 8 12 4 872.84 127.50 -2 -12 -8 -4 872.84 127.50 1 15 -13 1 346.72 179.29 -2 13 -15 -1 346.72 179.29 1 15 -13 0 851.09 202.99 -2 13 -15 0 851.09 202.99 1 15 -13 -1 630.49 192.63 -2 13 -15 1 630.49 192.63 1 15 -13 -2 823.59 191.37 -2 13 -15 2 823.59 191.37 1 15 -13 -3 264.67 181.47 -2 13 -15 3 264.67 181.47 1 14 -13 10 1116.22 170.54 -2 13 -14 -10 1116.22 170.54 1 14 -13 9 1131.76 180.44 -2 13 -14 -9 1131.76 180.44 1 14 -13 9 838.20 170.20 -2 13 -14 -9 838.20 170.20 1 14 -13 8 1675.49 213.69 -2 13 -14 -8 1675.49 213.69 1 14 -13 8 2223.24 219.22 -2 13 -14 -8 2223.24 219.22 1 14 -13 7 8667.42 550.29 -2 13 -14 -7 8667.42 550.29 1 14 -13 7 9102.41 581.36 -2 13 -14 -7 9102.41 581.36 1 14 -13 6 565.36 189.87 -2 13 -14 -6 565.36 189.87 1 14 -13 6 1120.14 180.67 -2 13 -14 -6 1120.14 180.67 1 14 -13 5 5272.72 369.16 -2 13 -14 -5 5272.72 369.16 1 14 -13 5 5209.43 372.61 -2 13 -14 -5 5209.43 372.61 1 14 -13 413383.00 822.78 -2 13 -14 -413383.00 822.78 1 14 -13 413061.00 808.40 -2 13 -14 -413061.00 808.40 1 14 -13 2 1805.52 206.21 -2 13 -14 -2 1805.52 206.21 1 14 -13 2 2009.20 233.26 -2 13 -14 -2 2009.20 233.26 1 14 -13 1 1837.74 205.87 -2 13 -14 -1 1837.74 205.87 1 14 -13 1 1703.11 220.71 -2 13 -14 -1 1703.11 220.71 1 14 -13 0 1540.85 197.81 -2 13 -14 0 1540.85 197.81 1 14 -13 0 1477.56 219.91 -2 13 -14 0 1477.56 219.91 1 14 -13 -1 2225.54 228.31 -2 13 -14 1 2225.54 228.31 1 14 -13 -1 2136.94 238.78 -2 13 -14 1 2136.94 238.78 1 14 -13 -2 3570.77 285.96 -2 13 -14 2 3570.77 285.96 1 14 -13 -2 2873.41 264.56 -2 13 -14 2 2873.41 264.56 1 14 -13 -3 1828.54 218.87 -2 13 -14 3 1828.54 218.87 1 14 -13 -3 2054.08 238.21 -2 13 -14 3 2054.08 238.21 1 14 -13 -4 3195.62 275.49 -2 13 -14 4 3195.62 275.49 1 14 -13 -4 2780.20 263.87 -2 13 -14 4 2780.20 263.87 1 14 -13 -5 1226.70 208.51 -2 13 -14 5 1226.70 208.51 1 14 -13 -5 660.87 191.14 -2 13 -14 5 660.87 191.14 1 14 -13 -7 7872.26 520.25 -2 13 -14 7 7872.26 520.25 1 14 -13 -7 8596.08 550.06 -2 13 -14 7 8596.08 550.06 1 14 -13 -8 7538.54 508.52 -2 13 -14 8 7538.54 508.52 1 14 -13 -8 7082.85 469.62 -2 13 -14 8 7082.85 469.62 1 14 -13 -10 1505.18 195.17 -2 13 -14 10 1505.18 195.17 1 14 -13 -11 2614.50 239.93 -2 13 -14 11 2614.50 239.93 1 13 -13 15 -38.56 149.37 -2 13 -13 -15 -38.56 149.37 1 13 -13 14 2682.39 240.39 -2 13 -13 -14 2682.39 240.39 1 13 -13 14 3159.95 263.87 -2 13 -13 -14 3159.95 263.87 1 13 -13 13 1347.52 172.04 -2 13 -13 -13 1347.52 172.04 1 13 -13 13 1120.94 202.65 -2 13 -13 -13 1120.94 202.65 1 13 -13 12 5136.93 376.52 -2 13 -13 -12 5136.93 376.52 1 13 -13 12 5013.80 340.97 -2 13 -13 -12 5013.80 340.97 1 13 -13 11 1581.13 220.60 -2 13 -13 -11 1581.13 220.60 1 13 -13 11 1829.69 192.75 -2 13 -13 -11 1829.69 192.75 1 13 -13 10 722.78 163.29 -2 13 -13 -10 722.78 163.29 1 13 -13 10 740.74 186.08 -2 13 -13 -10 740.74 186.08 1 13 -13 9 6368.23 421.06 -2 13 -13 -9 6368.23 421.06 1 13 -13 9 6223.24 420.71 -2 13 -13 -9 6223.24 420.71 1 13 -13 8 214.96 163.18 -2 13 -13 -8 214.96 163.18 1 13 -13 8 149.25 184.70 -2 13 -13 -8 149.25 184.70 1 13 -13 7 2369.39 248.68 -2 13 -13 -7 2369.39 248.68 1 13 -13 7 2621.40 235.44 -2 13 -13 -7 2621.40 235.44 1 13 -13 6 606.10 167.09 -2 13 -13 -6 606.10 167.09 1 13 -13 6 182.39 188.26 -2 13 -13 -6 182.39 188.26 1 13 -13 5 5268.12 366.97 -2 13 -13 -5 5268.12 366.97 1 13 -13 4 4639.81 334.41 -2 13 -13 -4 4639.81 334.41 1 13 -13 3 6497.12 435.79 -2 13 -13 -3 6497.12 435.79 1 13 -13 2 1341.77 192.63 -2 13 -13 -2 1341.77 192.63 1 13 -13 1 2293.44 226.93 -2 13 -13 -1 2293.44 226.93 1 13 -13 0 4227.84 322.21 -2 13 -13 0 4227.84 322.21 1 13 -13 -1 2096.66 227.04 -2 13 -13 1 2096.66 227.04 1 13 -13 -2 1838.89 223.82 -2 13 -13 2 1838.89 223.82 1 13 -13 -3 2848.10 265.94 -2 13 -13 3 2848.10 265.94 1 13 -13 -4 3031.07 272.84 -2 13 -13 4 3031.07 272.84 1 13 -13 -5 4841.19 355.93 -2 13 -13 5 4841.19 355.93 1 13 -13 -6 2515.53 241.20 -2 13 -13 6 2515.53 241.20 1 13 -13 -6 2698.50 257.08 -2 13 -13 6 2698.50 257.08 1 13 -13 -7 833.03 191.60 -2 13 -13 7 833.03 191.60 1 13 -13 -7 1456.85 207.37 -2 13 -13 7 1456.85 207.37 1 13 -13 -8 6276.17 432.80 -2 13 -13 8 6276.17 432.80 1 13 -13 -8 5666.28 394.48 -2 13 -13 8 5666.28 394.48 1 13 -13 -10 511.62 175.14 -2 13 -13 10 511.62 175.14 1 13 -13 -10 582.28 177.68 -2 13 -13 10 582.28 177.68 1 13 -13 -11 2385.50 248.91 -2 13 -13 11 2385.50 248.91 1 13 -13 -11 2164.55 222.21 -2 13 -13 11 2164.55 222.21 1 13 -13 -12 1615.65 210.36 -2 13 -13 12 1615.65 210.36 1 13 -13 -12 2014.96 228.77 -2 13 -13 12 2014.96 228.77 1 13 -13 -13 795.97 200.00 -2 13 -13 13 795.97 200.00 1 13 -13 -13 447.18 195.40 -2 13 -13 13 447.18 195.40 1 13 -13 -14 1200.23 213.69 -2 13 -13 14 1200.23 213.69 1 13 -13 -14 1782.51 227.04 -2 13 -13 14 1782.51 227.04 1 13 -13 -15 -32.78 185.38 -2 13 -13 15 -32.78 185.38 1 12 -13 19 298.62 154.66 -2 13 -12 -19 298.62 154.66 1 -12 13 -19 412.54 142.00 -2 -13 12 19 412.54 142.00 1 12 -13 18 4575.37 341.43 -2 13 -12 -18 4575.37 341.43 1 -12 13 -18 4774.45 331.99 -2 -13 12 18 4774.45 331.99 1 12 -13 17 328.31 160.99 -2 13 -12 -17 328.31 160.99 1 12 -13 17 592.63 161.10 -2 13 -12 -17 592.63 161.10 1 12 -13 16 1410.82 175.37 -2 13 -12 -16 1410.82 175.37 1 12 -13 16 1481.01 215.42 -2 13 -12 -16 1481.01 215.42 1 12 -13 15 523.36 155.70 -2 13 -12 -15 523.36 155.70 1 12 -13 15 441.43 196.20 -2 13 -12 -15 441.43 196.20 1 12 -13 14 352.01 159.03 -2 13 -12 -14 352.01 159.03 1 12 -13 14 377.21 205.41 -2 13 -12 -14 377.21 205.41 1 12 -13 13 347.30 154.20 -2 13 -12 -13 347.30 154.20 1 12 -13 13 6.95 201.96 -2 13 -12 -13 6.95 201.96 1 12 -13 12 6215.18 407.71 -2 13 -12 -12 6215.18 407.71 1 12 -13 11 1701.95 191.48 -2 13 -12 -11 1701.95 191.48 1 12 -13 11 1417.72 229.46 -2 13 -12 -11 1417.72 229.46 1 12 -13 10 583.77 188.61 -2 13 -12 -10 583.77 188.61 1 12 -13 9 8227.84 529.11 -2 13 -12 -9 8227.84 529.11 1 12 -13 8 3059.84 261.80 -2 13 -12 -8 3059.84 261.80 1 12 -13 8 3548.90 284.23 -2 13 -12 -8 3548.90 284.23 1 12 -13 711807.00 730.61 -2 13 -12 -711807.00 730.61 1 12 -13 711323.00 706.10 -2 13 -12 -711323.00 706.10 1 12 -13 6 5309.55 369.05 -2 13 -12 -6 5309.55 369.05 1 12 -13 6 6591.48 444.30 -2 13 -12 -6 6591.48 444.30 1 12 -13 510048.00 633.72 -2 13 -12 -510048.00 633.72 1 12 -13 5 9585.72 608.52 -2 13 -12 -5 9585.72 608.52 1 12 -13 4 6031.06 414.04 -2 13 -12 -4 6031.06 414.04 1 12 -13 4 4838.89 349.94 -2 13 -12 -4 4838.89 349.94 1 12 -13 3 4313.00 321.63 -2 13 -12 -3 4313.00 321.63 1 12 -13 3 4060.99 308.86 -2 13 -12 -3 4060.99 308.86 1 12 -13 2 2196.78 217.95 -2 13 -12 -2 2196.78 217.95 1 12 -13 2 2125.43 223.48 -2 13 -12 -2 2125.43 223.48 1 12 -13 1 1089.41 188.49 -2 13 -12 -1 1089.41 188.49 1 12 -13 1 1544.30 205.52 -2 13 -12 -1 1544.30 205.52 1 12 -13 0 2917.14 258.57 -2 13 -12 0 2917.14 258.57 1 12 -13 0 3794.01 298.62 -2 13 -12 0 3794.01 298.62 1 12 -13 -1 2795.16 252.13 -2 13 -12 1 2795.16 252.13 1 12 -13 -1 3202.53 273.30 -2 13 -12 1 3202.53 273.30 1 12 -13 -2 3207.13 274.22 -2 13 -12 2 3207.13 274.22 1 12 -13 -2 3598.39 294.13 -2 13 -12 2 3598.39 294.13 1 12 -13 -3 4146.14 319.22 -2 13 -12 3 4146.14 319.22 1 12 -13 -3 3926.35 314.96 -2 13 -12 3 3926.35 314.96 1 12 -13 -4 3804.37 297.81 -2 13 -12 4 3804.37 297.81 1 12 -13 -4 2800.92 256.50 -2 13 -12 4 2800.92 256.50 1 12 -13 -5 1429.23 199.08 -2 13 -12 5 1429.23 199.08 1 12 -13 -5 1438.43 197.58 -2 13 -12 5 1438.43 197.58 1 12 -13 -6 3952.82 299.89 -2 13 -12 6 3952.82 299.89 1 12 -13 -6 4445.33 332.11 -2 13 -12 6 4445.33 332.11 1 12 -13 -8 6627.15 436.59 -2 13 -12 8 6627.15 436.59 1 12 -13 -10 1226.70 202.53 -2 13 -12 10 1226.70 202.53 1 12 -13 -11 469.39 177.33 -2 13 -12 11 469.39 177.33 1 12 -13 -12 1033.26 188.15 -2 13 -12 12 1033.26 188.15 1 12 -13 -12 1012.43 206.44 -2 13 -12 12 1012.43 206.44 1 12 -13 -13 110.89 169.39 -2 13 -12 13 110.89 169.39 1 12 -13 -13 265.48 199.19 -2 13 -12 13 265.48 199.19 1 12 -13 -14 453.97 182.05 -2 13 -12 14 453.97 182.05 1 12 -13 -14 448.91 192.29 -2 13 -12 14 448.91 192.29 1 12 -13 -15 1989.64 230.61 -2 13 -12 15 1989.64 230.61 1 12 -13 -15 1910.24 218.53 -2 13 -12 15 1910.24 218.53 1 12 -13 -16 3077.10 273.30 -2 13 -12 16 3077.10 273.30 1 12 -13 -16 3524.74 287.11 -2 13 -12 16 3524.74 287.11 1 12 -13 -17 -19.32 178.71 -2 13 -12 17 -19.32 178.71 1 12 -13 -17 -8.54 189.41 -2 13 -12 17 -8.54 189.41 1 12 -13 -18 444.30 199.42 -2 13 -12 18 444.30 199.42 1 11 -13 21 1390.10 198.39 -2 13 -11 -21 1390.10 198.39 1 11 -13 21 1518.99 221.17 -2 13 -11 -21 1518.99 221.17 1 -11 13 -21 1418.87 178.37 -2 -13 11 21 1418.87 178.37 1 11 -13 20 3753.74 301.61 -2 13 -11 -20 3753.74 301.61 1 11 -13 20 2930.95 259.03 -2 13 -11 -20 2930.95 259.03 1 -11 13 -20 3033.37 251.21 -2 -13 11 20 3033.37 251.21 1 11 -13 19 1629.46 223.82 -2 13 -11 -19 1629.46 223.82 1 11 -13 19 1556.96 200.46 -2 13 -11 -19 1556.96 200.46 1 -11 13 -19 1270.42 179.63 -2 -13 11 19 1270.42 179.63 1 11 -13 18 5695.05 407.48 -2 13 -11 -18 5695.05 407.48 1 11 -13 18 5425.77 378.14 -2 13 -11 -18 5425.77 378.14 1 -11 13 -18 5962.02 399.42 -2 -13 11 18 5962.02 399.42 1 11 -13 17 752.47 167.32 -2 13 -11 -17 752.47 167.32 1 11 -13 17 584.35 206.10 -2 13 -11 -17 584.35 206.10 1 -11 13 -17 554.31 159.72 -2 -13 11 17 554.31 159.72 1 11 -13 16 4235.90 305.75 -2 13 -11 -16 4235.90 305.75 1 11 -13 15 2359.03 257.31 -2 13 -11 -15 2359.03 257.31 1 11 -13 14 951.90 205.29 -2 13 -11 -14 951.90 205.29 1 11 -13 13 1086.54 172.96 -2 13 -11 -13 1086.54 172.96 1 11 -13 13 1324.51 213.23 -2 13 -11 -13 1324.51 213.23 1 11 -13 12 4263.52 304.49 -2 13 -11 -12 4263.52 304.49 1 11 -13 12 3894.13 314.38 -2 13 -11 -12 3894.13 314.38 1 11 -13 11 1550.06 218.53 -2 13 -11 -11 1550.06 218.53 1 11 -13 11 1803.22 194.82 -2 13 -11 -11 1803.22 194.82 1 11 -13 10 4520.13 321.86 -2 13 -11 -10 4520.13 321.86 1 11 -13 10 4322.21 332.57 -2 13 -11 -10 4322.21 332.57 1 11 -13 9 4301.49 310.36 -2 13 -11 -9 4301.49 310.36 1 11 -13 9 4295.74 316.57 -2 13 -11 -9 4295.74 316.57 1 11 -13 8 1384.35 184.58 -2 13 -11 -8 1384.35 184.58 1 11 -13 8 1060.76 176.76 -2 13 -11 -8 1060.76 176.76 1 11 -13 7 4814.72 337.63 -2 13 -11 -7 4814.72 337.63 1 11 -13 7 4750.28 344.30 -2 13 -11 -7 4750.28 344.30 1 11 -13 6 1844.65 209.09 -2 13 -11 -6 1844.65 209.09 1 11 -13 6 2235.90 228.54 -2 13 -11 -6 2235.90 228.54 1 11 -13 5 7935.55 512.77 -2 13 -11 -5 7935.55 512.77 1 11 -13 5 7252.01 475.60 -2 13 -11 -5 7252.01 475.60 1 11 -13 4 6268.12 417.84 -2 13 -11 -4 6268.12 417.84 1 11 -13 4 6132.33 416.11 -2 13 -11 -4 6132.33 416.11 1 11 -13 3 4639.81 334.52 -2 13 -11 -3 4639.81 334.52 1 11 -13 3 5692.74 398.62 -2 13 -11 -3 5692.74 398.62 1 11 -13 211922.00 746.26 -2 13 -11 -211922.00 746.26 1 11 -13 213061.00 805.52 -2 13 -11 -213061.00 805.52 1 11 -13 1 5704.25 403.57 -2 13 -11 -1 5704.25 403.57 1 11 -13 1 5272.72 371.46 -2 13 -11 -1 5272.72 371.46 1 11 -13 0 6082.85 411.85 -2 13 -11 0 6082.85 411.85 1 11 -13 0 6107.01 424.05 -2 13 -11 0 6107.01 424.05 1 11 -13 -1 2311.85 235.79 -2 13 -11 1 2311.85 235.79 1 11 -13 -1 2545.45 258.46 -2 13 -11 1 2545.45 258.46 1 11 -13 -2 8821.62 569.97 -2 13 -11 2 8821.62 569.97 1 11 -13 -2 7551.20 505.06 -2 13 -11 2 7551.20 505.06 1 11 -13 -4 1840.04 209.90 -2 13 -11 4 1840.04 209.90 1 11 -13 -4 1975.83 221.98 -2 13 -11 4 1975.83 221.98 1 11 -13 -5 4342.92 322.09 -2 13 -11 5 4342.92 322.09 1 11 -13 -5 4337.16 324.86 -2 13 -11 5 4337.16 324.86 1 11 -13 -6 6195.62 421.75 -2 13 -11 6 6195.62 421.75 1 11 -13 -6 6203.68 418.64 -2 13 -11 6 6203.68 418.64 1 11 -13 -7 2565.01 242.12 -2 13 -11 7 2565.01 242.12 1 11 -13 -7 2937.86 255.01 -2 13 -11 7 2937.86 255.01 1 11 -13 -8 2620.25 252.01 -2 13 -11 8 2620.25 252.01 1 11 -13 -8 2733.02 243.96 -2 13 -11 8 2733.02 243.96 1 11 -13 -9 746.49 182.62 -2 13 -11 9 746.49 182.62 1 11 -13 -9 1090.33 188.84 -2 13 -11 9 1090.33 188.84 1 11 -13 -10 1179.52 192.98 -2 13 -11 10 1179.52 192.98 1 11 -13 -10 991.37 199.88 -2 13 -11 10 991.37 199.88 1 11 -13 -11 371.81 187.23 -2 13 -11 11 371.81 187.23 1 11 -13 -11 67.55 173.07 -2 13 -11 11 67.55 173.07 1 11 -13 -12 199.77 171.00 -2 13 -11 12 199.77 171.00 1 11 -13 -13 665.59 192.98 -2 13 -11 13 665.59 192.98 1 11 -13 -13 903.68 185.27 -2 13 -11 13 903.68 185.27 1 11 -13 -14 806.67 184.12 -2 13 -11 14 806.67 184.12 1 11 -13 -15 271.92 184.93 -2 13 -11 15 271.92 184.93 1 11 -13 -15 893.55 185.73 -2 13 -11 15 893.55 185.73 1 11 -13 -16 787.57 187.00 -2 13 -11 16 787.57 187.00 1 11 -13 -16 1180.67 184.24 -2 13 -11 16 1180.67 184.24 1 11 -13 -17 3635.21 285.85 -2 13 -11 17 3635.21 285.85 1 11 -13 -17 3815.88 299.42 -2 13 -11 17 3815.88 299.42 1 11 -13 -19 442.58 172.15 -2 13 -11 19 442.58 172.15 1 11 -13 -19 971.81 207.94 -2 13 -11 19 971.81 207.94 1 -11 13 19 326.70 207.71 -2 -13 11 -19 326.70 207.71 1 11 -13 -20 612.54 197.47 -2 13 -11 20 612.54 197.47 1 10 -13 23 1132.33 199.65 -2 13 -10 -23 1132.33 199.65 1 10 -13 23 721.52 167.09 -2 13 -10 -23 721.52 167.09 1 -10 13 -23 1084.46 168.47 -2 -13 10 23 1084.46 168.47 1 10 -13 22 182.74 156.73 -2 13 -10 -22 182.74 156.73 1 10 -13 22 161.91 168.58 -2 13 -10 -22 161.91 168.58 1 -10 13 -22 80.47 151.67 -2 -13 10 22 80.47 151.67 1 10 -13 21 1265.82 181.82 -2 13 -10 -21 1265.82 181.82 1 10 -13 21 1090.68 214.27 -2 13 -10 -21 1090.68 214.27 1 -10 13 -21 1101.84 175.37 -2 -13 10 21 1101.84 175.37 1 10 -13 20 1659.38 246.84 -2 13 -10 -20 1659.38 246.84 1 10 -13 20 1924.05 208.86 -2 13 -10 -20 1924.05 208.86 1 -10 13 -20 1889.53 206.10 -2 -13 10 20 1889.53 206.10 1 10 -13 19 314.15 221.17 -2 13 -10 -19 314.15 221.17 1 10 -13 19 311.97 157.77 -2 13 -10 -19 311.97 157.77 1 10 -13 18 154.66 198.04 -2 13 -10 -18 154.66 198.04 1 -10 13 -18 313.00 162.02 -2 -13 10 18 313.00 162.02 1 10 -13 17 5698.50 397.58 -2 13 -10 -17 5698.50 397.58 1 10 -13 17 6185.26 434.87 -2 13 -10 -17 6185.26 434.87 1 -10 13 -17 6472.95 428.88 -2 -13 10 17 6472.95 428.88 1 10 -13 16 1706.56 199.31 -2 13 -10 -16 1706.56 199.31 1 10 -13 16 1782.51 231.53 -2 13 -10 -16 1782.51 231.53 1 -10 13 -16 1535.10 185.85 -2 -13 10 16 1535.10 185.85 1 10 -13 15 87.54 187.92 -2 13 -10 -15 87.54 187.92 1 10 -13 15 454.54 156.50 -2 13 -10 -15 454.54 156.50 1 10 -13 14 523.47 205.41 -2 13 -10 -14 523.47 205.41 1 10 -13 14 952.59 169.85 -2 13 -10 -14 952.59 169.85 1 10 -13 13 2264.67 212.54 -2 13 -10 -13 2264.67 212.54 1 10 -13 13 2110.47 243.61 -2 13 -10 -13 2110.47 243.61 1 10 -13 12 1741.08 188.15 -2 13 -10 -12 1741.08 188.15 1 10 -13 12 1556.96 219.45 -2 13 -10 -12 1556.96 219.45 1 10 -13 1116858.00 1017.15 -2 13 -10 -1116858.00 1017.15 1 10 -13 1117238.00 1050.75 -2 13 -10 -1117238.00 1050.75 1 10 -13 10 3349.82 281.70 -2 13 -10 -10 3349.82 281.70 1 10 -13 10 3762.94 281.24 -2 13 -10 -10 3762.94 281.24 1 10 -13 9 2846.95 233.03 -2 13 -10 -9 2846.95 233.03 1 10 -13 9 2913.69 248.10 -2 13 -10 -9 2913.69 248.10 1 10 -13 8 1172.61 180.44 -2 13 -10 -8 1172.61 180.44 1 10 -13 8 1386.65 182.16 -2 13 -10 -8 1386.65 182.16 1 10 -13 6 1829.69 199.08 -2 13 -10 -6 1829.69 199.08 1 10 -13 5 3772.15 288.72 -2 13 -10 -5 3772.15 288.72 1 10 -13 4 4857.30 345.22 -2 13 -10 -4 4857.30 345.22 1 10 -13 3 1255.46 186.77 -2 13 -10 -3 1255.46 186.77 1 10 -13 2 2116.22 216.34 -2 13 -10 -2 2116.22 216.34 1 10 -13 1 4560.41 336.36 -2 13 -10 -1 4560.41 336.36 1 10 -13 0 7308.39 477.10 -2 13 -10 0 7308.39 477.10 1 10 -13 -1 3237.05 268.70 -2 13 -10 1 3237.05 268.70 1 10 -13 -2 1434.98 185.27 -2 13 -10 2 1434.98 185.27 1 10 -13 -3 1132.68 176.18 -2 13 -10 3 1132.68 176.18 1 10 -13 -4 3433.83 275.72 -2 13 -10 4 3433.83 275.72 1 10 -13 -4 3029.92 271.35 -2 13 -10 4 3029.92 271.35 1 10 -13 -5 7779.05 504.14 -2 13 -10 5 7779.05 504.14 1 10 -13 -5 7703.10 499.77 -2 13 -10 5 7703.10 499.77 1 10 -13 -6 2012.66 205.98 -2 13 -10 6 2012.66 205.98 1 10 -13 -6 2525.89 236.82 -2 13 -10 6 2525.89 236.82 1 10 -13 -7 3169.16 265.71 -2 13 -10 7 3169.16 265.71 1 10 -13 -7 2846.95 248.45 -2 13 -10 7 2846.95 248.45 1 10 -13 -8 1316.45 183.89 -2 13 -10 8 1316.45 183.89 1 10 -13 -8 1354.43 201.38 -2 13 -10 8 1354.43 201.38 1 10 -13 -9 153.39 159.03 -2 13 -10 9 153.39 159.03 1 10 -13 -9 375.26 186.54 -2 13 -10 9 375.26 186.54 1 10 -13 -10 519.45 175.26 -2 13 -10 10 519.45 175.26 1 10 -13 -10 404.37 187.23 -2 13 -10 10 404.37 187.23 1 10 -13 -11 1181.82 197.70 -2 13 -10 11 1181.82 197.70 1 10 -13 -11 1043.15 193.32 -2 13 -10 11 1043.15 193.32 1 10 -13 -12 6146.14 422.90 -2 13 -10 12 6146.14 422.90 1 10 -13 -12 6090.90 411.85 -2 13 -10 12 6090.90 411.85 1 10 -13 -13 6634.06 450.06 -2 13 -10 13 6634.06 450.06 1 10 -13 -13 6444.18 432.45 -2 13 -10 13 6444.18 432.45 1 10 -13 -14 62.50 170.31 -2 13 -10 14 62.50 170.31 1 10 -13 -14 612.31 166.63 -2 13 -10 14 612.31 166.63 1 10 -13 -15 540.05 172.96 -2 13 -10 15 540.05 172.96 1 10 -13 -16 1906.79 218.64 -2 13 -10 16 1906.79 218.64 1 10 -13 -16 2112.77 226.70 -2 13 -10 16 2112.77 226.70 1 -10 13 16 2371.69 303.80 -2 -13 10 -16 2371.69 303.80 1 10 -13 -17 1241.66 192.29 -2 13 -10 17 1241.66 192.29 1 10 -13 -17 1250.86 224.51 -2 13 -10 17 1250.86 224.51 1 -10 13 17 680.78 244.30 -2 -13 10 -17 680.78 244.30 1 10 -13 -18 -44.34 168.24 -2 13 -10 18 -44.34 168.24 1 10 -13 -18 202.65 190.45 -2 13 -10 18 202.65 190.45 1 -10 13 18 -40.99 227.16 -2 -13 10 -18 -40.99 227.16 1 10 -13 -19 5.89 168.93 -2 13 -10 19 5.89 168.93 1 10 -13 -19 487.92 184.00 -2 13 -10 19 487.92 184.00 1 -10 13 19 107.49 218.53 -2 -13 10 -19 107.49 218.53 1 10 -13 -20 352.47 205.06 -2 13 -10 20 352.47 205.06 1 10 -13 -20 235.56 167.66 -2 13 -10 20 235.56 167.66 1 -10 13 20 309.67 219.10 -2 -13 10 -20 309.67 219.10 1 10 -13 -21 108.18 165.59 -2 13 -10 21 108.18 165.59 1 10 -13 -21 49.84 202.30 -2 13 -10 21 49.84 202.30 1 -10 13 21 163.52 212.31 -2 -13 10 -21 163.52 212.31 1 10 -13 -22 129.92 183.20 -2 13 -10 22 129.92 183.20 1 9 -13 24 2202.53 224.86 -2 13 -9 -24 2202.53 224.86 1 -9 13 -24 1960.87 207.48 -2 -13 9 24 1960.87 207.48 1 9 -13 23 701.84 164.56 -2 13 -9 -23 701.84 164.56 1 -9 13 -23 918.18 178.14 -2 -13 9 23 918.18 178.14 1 9 -13 22 1060.41 166.28 -2 13 -9 -22 1060.41 166.28 1 9 -13 21 4177.21 338.55 -2 13 -9 -21 4177.21 338.55 1 -9 13 -21 4028.76 304.95 -2 -13 9 21 4028.76 304.95 1 9 -13 20 869.16 222.44 -2 13 -9 -20 869.16 222.44 1 9 -13 20 737.51 166.51 -2 13 -9 -20 737.51 166.51 1 -9 13 -20 902.19 174.68 -2 -13 9 20 902.19 174.68 1 9 -13 19 173.42 163.06 -2 13 -9 -19 173.42 163.06 1 9 -13 19 -129.92 206.67 -2 13 -9 -19 -129.92 206.67 1 -9 13 -19 -3.44 155.35 -2 -13 9 19 -3.44 155.35 1 9 -13 18 4323.36 353.74 -2 13 -9 -18 4323.36 353.74 1 9 -13 18 4118.52 304.37 -2 13 -9 -18 4118.52 304.37 1 -9 13 -18 3863.06 296.78 -2 -13 9 18 3863.06 296.78 1 9 -13 17 576.98 173.07 -2 13 -9 -17 576.98 173.07 1 9 -13 17 254.43 202.42 -2 13 -9 -17 254.43 202.42 1 -9 13 -17 414.27 162.60 -2 -13 9 17 414.27 162.60 1 9 -13 16 563.41 203.11 -2 13 -9 -16 563.41 203.11 1 9 -13 16 627.27 176.06 -2 13 -9 -16 627.27 176.06 1 -9 13 -16 473.65 155.12 -2 -13 9 16 473.65 155.12 1 9 -13 15 1348.68 181.82 -2 13 -9 -15 1348.68 181.82 1 9 -13 15 839.70 196.43 -2 13 -9 -15 839.70 196.43 1 -9 13 -15 1254.31 165.94 -2 -13 9 15 1254.31 165.94 1 9 -13 14 7276.17 466.51 -2 13 -9 -14 7276.17 466.51 1 9 -13 14 9116.22 594.94 -2 13 -9 -14 9116.22 594.94 1 9 -13 13 615.19 153.97 -2 13 -9 -13 615.19 153.97 1 9 -13 13 134.41 197.81 -2 13 -9 -13 134.41 197.81 1 9 -13 12 4131.18 297.12 -2 13 -9 -12 4131.18 297.12 1 9 -13 11 1869.96 191.37 -2 13 -9 -11 1869.96 191.37 1 9 -13 11 1881.47 214.73 -2 13 -9 -11 1881.47 214.73 1 9 -13 10 5941.31 402.30 -2 13 -9 -10 5941.31 402.30 1 9 -13 9 836.48 162.26 -2 13 -9 -9 836.48 162.26 1 9 -13 810842.00 672.27 -2 13 -9 -810842.00 672.27 1 9 -13 7 6575.37 436.82 -2 13 -9 -7 6575.37 436.82 1 9 -13 6 5898.73 394.36 -2 13 -9 -6 5898.73 394.36 1 9 -13 6 5915.99 398.39 -2 13 -9 -6 5915.99 398.39 1 9 -13 5 2516.68 227.16 -2 13 -9 -5 2516.68 227.16 1 9 -13 5 2729.57 238.90 -2 13 -9 -5 2729.57 238.90 1 9 -13 4 914.27 170.66 -2 13 -9 -4 914.27 170.66 1 9 -13 4 1429.23 195.17 -2 13 -9 -4 1429.23 195.17 1 9 -13 3 8506.32 539.70 -2 13 -9 -3 8506.32 539.70 1 9 -13 3 8791.71 560.07 -2 13 -9 -3 8791.71 560.07 1 9 -13 210310.00 644.53 -2 13 -9 -210310.00 644.53 1 9 -13 2 9835.43 621.06 -2 13 -9 -2 9835.43 621.06 1 9 -13 1 4163.40 311.05 -2 13 -9 -1 4163.40 311.05 1 9 -13 1 5288.83 371.23 -2 13 -9 -1 5288.83 371.23 1 9 -13 0 8409.66 539.59 -2 13 -9 0 8409.66 539.59 1 9 -13 0 7108.16 470.54 -2 13 -9 0 7108.16 470.54 1 9 -13 -1 2445.34 234.06 -2 13 -9 1 2445.34 234.06 1 9 -13 -1 2263.52 224.16 -2 13 -9 1 2263.52 224.16 1 9 -13 -417353.00 1048.91 -2 13 -9 417353.00 1048.91 1 9 -13 -5 6266.97 417.15 -2 13 -9 5 6266.97 417.15 1 9 -13 -6 1568.47 201.50 -2 13 -9 6 1568.47 201.50 1 9 -13 -6 1855.00 201.84 -2 13 -9 6 1855.00 201.84 1 9 -13 -7 1157.65 169.74 -2 13 -9 7 1157.65 169.74 1 9 -13 -8 656.27 158.00 -2 13 -9 8 656.27 158.00 1 9 -13 -9 213.46 154.32 -2 13 -9 9 213.46 154.32 1 9 -13 -9 224.97 180.78 -2 13 -9 9 224.97 180.78 1 9 -13 -10 2781.35 241.89 -2 13 -9 10 2781.35 241.89 1 9 -13 -10 2669.73 250.06 -2 13 -9 10 2669.73 250.06 1 9 -13 -11 236.25 161.22 -2 13 -9 11 236.25 161.22 1 9 -13 -11 492.17 175.03 -2 13 -9 11 492.17 175.03 1 9 -13 -12 315.53 161.57 -2 13 -9 12 315.53 161.57 1 9 -13 -12 484.23 173.65 -2 13 -9 12 484.23 173.65 1 9 -13 -13 345.57 169.39 -2 13 -9 13 345.57 169.39 1 9 -13 -13 490.91 165.02 -2 13 -9 13 490.91 165.02 1 9 -13 -14 255.12 162.83 -2 13 -9 14 255.12 162.83 1 9 -13 -14 185.27 173.07 -2 13 -9 14 185.27 173.07 1 -9 13 14 169.04 221.06 -2 -13 9 -14 169.04 221.06 1 9 -13 -15 1089.07 185.62 -2 13 -9 15 1089.07 185.62 1 9 -13 -15 1075.49 190.68 -2 13 -9 15 1075.49 190.68 1 -9 13 15 1107.25 253.16 -2 -13 9 -15 1107.25 253.16 1 9 -13 -16 120.37 165.13 -2 13 -9 16 120.37 165.13 1 9 -13 -16 26.02 175.60 -2 13 -9 16 26.02 175.60 1 -9 13 16 -166.05 242.23 -2 -13 9 -16 -166.05 242.23 1 9 -13 -17 3501.72 276.52 -2 13 -9 17 3501.72 276.52 1 9 -13 -18 44.22 174.68 -2 13 -9 18 44.22 174.68 1 -9 13 18 -21.14 231.41 -2 -13 9 -18 -21.14 231.41 1 9 -13 -19 -7.13 166.86 -2 13 -9 19 -7.13 166.86 1 9 -13 -19 -123.48 171.23 -2 13 -9 19 -123.48 171.23 1 -9 13 19 274.68 229.92 -2 -13 9 -19 274.68 229.92 1 9 -13 -20 -82.70 165.36 -2 13 -9 20 -82.70 165.36 1 9 -13 -20 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294.25 1 14 -14 -3 5939.00 405.64 -2 14 -14 3 5939.00 405.64 1 14 -14 -3 5208.28 370.54 -2 14 -14 3 5208.28 370.54 1 14 -14 -4 8455.69 547.18 -2 14 -14 4 8455.69 547.18 1 14 -14 -4 8177.21 523.93 -2 14 -14 4 8177.21 523.93 1 14 -14 -6 9039.12 577.10 -2 14 -14 6 9039.12 577.10 1 14 -14 -7 4821.63 352.24 -2 14 -14 7 4821.63 352.24 1 14 -14 -8 3573.07 296.09 -2 14 -14 8 3573.07 296.09 1 13 -14 13 178.48 151.78 -2 14 -13 -13 178.48 151.78 1 13 -14 12 1088.03 184.46 -2 14 -13 -12 1088.03 184.46 1 13 -14 12 926.01 156.85 -2 14 -13 -12 926.01 156.85 1 13 -14 11 120.14 155.70 -2 14 -13 -11 120.14 155.70 1 13 -14 11 -65.36 143.50 -2 14 -13 -11 -65.36 143.50 1 13 -14 10 3354.43 262.95 -2 14 -13 -10 3354.43 262.95 1 13 -14 10 2822.78 250.17 -2 14 -13 -10 2822.78 250.17 1 13 -14 9 6051.78 401.50 -2 14 -13 -9 6051.78 401.50 1 13 -14 9 5958.57 409.09 -2 14 -13 -9 5958.57 409.09 1 13 -14 7 7364.78 478.25 -2 14 -13 -7 7364.78 478.25 1 13 -14 7 6834.29 461.57 -2 14 -13 -7 6834.29 461.57 1 13 -14 6 5077.10 355.24 -2 14 -13 -6 5077.10 355.24 1 13 -14 6 5712.31 404.83 -2 14 -13 -6 5712.31 404.83 1 13 -14 5 6048.33 405.87 -2 14 -13 -5 6048.33 405.87 1 13 -14 5 5947.06 418.18 -2 14 -13 -5 5947.06 418.18 1 13 -14 4 789.87 172.96 -2 14 -13 -4 789.87 172.96 1 13 -14 4 1089.18 204.60 -2 14 -13 -4 1089.18 204.60 1 13 -14 3 675.37 170.31 -2 14 -13 -3 675.37 170.31 1 13 -14 3 559.49 195.86 -2 14 -13 -3 559.49 195.86 1 13 -14 2 989.53 183.08 -2 14 -13 -2 989.53 183.08 1 13 -14 2 698.04 203.68 -2 14 -13 -2 698.04 203.68 1 13 -14 1 2458.00 234.75 -2 14 -13 -1 2458.00 234.75 1 13 -14 1 2159.95 246.60 -2 14 -13 -1 2159.95 246.60 1 13 -14 0 1073.19 184.46 -2 14 -13 0 1073.19 184.46 1 13 -14 0 1220.94 218.53 -2 14 -13 0 1220.94 218.53 1 13 -14 -1 817.61 187.69 -2 14 -13 1 817.61 187.69 1 13 -14 -1 1105.52 214.84 -2 14 -13 1 1105.52 214.84 1 13 -14 -2 1050.06 195.17 -2 14 -13 2 1050.06 195.17 1 13 -14 -2 1437.28 220.02 -2 14 -13 2 1437.28 220.02 1 13 -14 -3 3005.75 266.51 -2 14 -13 3 3005.75 266.51 1 13 -14 -3 2329.11 241.20 -2 14 -13 3 2329.11 241.20 1 13 -14 -4 977.21 197.93 -2 14 -13 4 977.21 197.93 1 13 -14 -4 1692.75 211.28 -2 14 -13 4 1692.75 211.28 1 13 -14 -6 7275.02 484.12 -2 14 -13 6 7275.02 484.12 1 13 -14 -6 6666.28 449.94 -2 14 -13 6 6666.28 449.94 1 13 -14 -7 759.84 191.14 -2 14 -13 7 759.84 191.14 1 13 -14 -7 928.42 193.44 -2 14 -13 7 928.42 193.44 1 13 -14 -8 880.09 197.70 -2 14 -13 8 880.09 197.70 1 13 -14 -8 1309.55 202.42 -2 14 -13 8 1309.55 202.42 1 13 -14 -9 2775.60 266.51 -2 14 -13 9 2775.60 266.51 1 13 -14 -9 2788.26 248.56 -2 14 -13 9 2788.26 248.56 1 13 -14 -10 2293.44 242.00 -2 14 -13 10 2293.44 242.00 1 13 -14 -10 2583.43 258.69 -2 14 -13 10 2583.43 258.69 1 13 -14 -11 -36.92 165.82 -2 14 -13 11 -36.92 165.82 1 13 -14 -11 558.92 211.51 -2 14 -13 11 558.92 211.51 1 13 -14 -12 832.57 217.26 -2 14 -13 12 832.57 217.26 1 13 -14 -13 122.90 212.77 -2 14 -13 13 122.90 212.77 1 12 -14 16 4715.76 329.46 -2 14 -12 -16 4715.76 329.46 1 12 -14 15 1037.86 188.15 -2 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334.41 1 12 -14 3 2425.77 244.88 -2 14 -12 -3 2425.77 244.88 1 12 -14 3 1833.14 223.36 -2 14 -12 -3 1833.14 223.36 1 12 -14 2 1091.83 192.63 -2 14 -12 -2 1091.83 192.63 1 12 -14 2 1302.65 205.52 -2 14 -12 -2 1302.65 205.52 1 12 -14 1 2263.52 229.11 -2 14 -12 -1 2263.52 229.11 1 12 -14 1 2949.36 263.18 -2 14 -12 -1 2949.36 263.18 1 12 -14 0 6273.87 430.49 -2 14 -12 0 6273.87 430.49 1 12 -14 0 6039.12 415.07 -2 14 -12 0 6039.12 415.07 1 12 -14 -1 3416.57 287.92 -2 14 -12 1 3416.57 287.92 1 12 -14 -1 3498.27 287.69 -2 14 -12 1 3498.27 287.69 1 12 -14 -2 1578.82 213.00 -2 14 -12 2 1578.82 213.00 1 12 -14 -2 1499.42 199.42 -2 14 -12 2 1499.42 199.42 1 12 -14 -3 355.24 190.10 -2 14 -12 3 355.24 190.10 1 12 -14 -3 566.86 170.08 -2 14 -12 3 566.86 170.08 1 12 -14 -4 822.09 172.04 -2 14 -12 4 822.09 172.04 1 12 -14 -5 1091.02 183.66 -2 14 -12 5 1091.02 183.66 1 12 -14 -6 3616.80 286.19 -2 14 -12 6 3616.80 286.19 1 12 -14 -7 3593.78 300.23 -2 14 -12 7 3593.78 300.23 1 12 -14 -7 4507.48 334.52 -2 14 -12 7 4507.48 334.52 1 12 -14 -8 2012.66 232.34 -2 14 -12 8 2012.66 232.34 1 12 -14 -9 5771.00 404.26 -2 14 -12 9 5771.00 404.26 1 12 -14 -9 5208.28 386.42 -2 14 -12 9 5208.28 386.42 1 12 -14 -10 1434.98 205.52 -2 14 -12 10 1434.98 205.52 1 12 -14 -10 1598.39 234.18 -2 14 -12 10 1598.39 234.18 1 12 -14 -11 -45.13 186.88 -2 14 -12 11 -45.13 186.88 1 12 -14 -11 198.62 197.47 -2 14 -12 11 198.62 197.47 1 12 -14 -12 1980.44 227.85 -2 14 -12 12 1980.44 227.85 1 12 -14 -12 1661.68 228.31 -2 14 -12 12 1661.68 228.31 1 12 -14 -13 1562.71 218.07 -2 14 -12 13 1562.71 218.07 1 12 -14 -13 1913.69 219.22 -2 14 -12 13 1913.69 219.22 1 12 -14 -16 634.87 227.73 -2 14 -12 16 634.87 227.73 1 11 -14 17 487.46 186.08 -2 14 -11 -17 487.46 186.08 1 11 -14 17 647.41 182.05 -2 14 -11 -17 647.41 182.05 1 11 -14 16 1612.20 216.23 -2 14 -11 -16 1612.20 216.23 1 11 -14 16 1889.53 202.88 -2 14 -11 -16 1889.53 202.88 1 11 -14 15 7313.00 468.81 -2 14 -11 -15 7313.00 468.81 1 11 -14 14 314.27 194.25 -2 14 -11 -14 314.27 194.25 1 11 -14 13 96.08 182.51 -2 14 -11 -13 96.08 182.51 1 11 -14 12 79.34 145.80 -2 14 -11 -12 79.34 145.80 1 11 -14 12 281.13 173.07 -2 14 -11 -12 281.13 173.07 1 11 -14 11 1800.92 185.50 -2 14 -11 -11 1800.92 185.50 1 11 -14 11 1340.62 189.76 -2 14 -11 -11 1340.62 189.76 1 11 -14 10 1685.84 185.73 -2 14 -11 -10 1685.84 185.73 1 11 -14 10 1406.21 200.23 -2 14 -11 -10 1406.21 200.23 1 11 -14 9 2606.44 227.85 -2 14 -11 -9 2606.44 227.85 1 11 -14 9 2570.77 246.03 -2 14 -11 -9 2570.77 246.03 1 11 -14 8 327.85 154.66 -2 14 -11 -8 327.85 154.66 1 11 -14 8 137.40 173.88 -2 14 -11 -8 137.40 173.88 1 11 -14 7 908.28 166.40 -2 14 -11 -7 908.28 166.40 1 11 -14 7 1052.24 186.19 -2 14 -11 -7 1052.24 186.19 1 11 -14 6 1423.47 181.13 -2 14 -11 -6 1423.47 181.13 1 11 -14 6 1533.95 203.45 -2 14 -11 -6 1533.95 203.45 1 11 -14 5 2571.92 236.13 -2 14 -11 -5 2571.92 236.13 1 11 -14 5 2747.98 253.28 -2 14 -11 -5 2747.98 253.28 1 11 -14 4 2504.03 244.19 -2 14 -11 -4 2504.03 244.19 1 11 -14 4 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1237.05 199.88 1 11 -14 -6 1986.19 212.31 -2 14 -11 6 1986.19 212.31 1 11 -14 -6 2054.08 230.61 -2 14 -11 6 2054.08 230.61 1 11 -14 -7 5741.08 390.68 -2 14 -11 7 5741.08 390.68 1 11 -14 -7 5949.36 419.45 -2 14 -11 7 5949.36 419.45 1 11 -14 -8 1289.99 210.13 -2 14 -11 8 1289.99 210.13 1 11 -14 -8 1794.01 217.03 -2 14 -11 8 1794.01 217.03 1 11 -14 -9 909.44 188.84 -2 14 -11 9 909.44 188.84 1 11 -14 -9 779.29 186.54 -2 14 -11 9 779.29 186.54 1 11 -14 -10 2025.31 217.38 -2 14 -11 10 2025.31 217.38 1 11 -14 -11 1225.55 198.50 -2 14 -11 11 1225.55 198.50 1 11 -14 -11 1055.46 207.13 -2 14 -11 11 1055.46 207.13 1 11 -14 -12 94.07 167.09 -2 14 -11 12 94.07 167.09 1 11 -14 -13 727.27 179.98 -2 14 -11 13 727.27 179.98 1 11 -14 -13 392.63 185.38 -2 14 -11 13 392.63 185.38 1 11 -14 -14 1668.58 211.51 -2 14 -11 14 1668.58 211.51 1 11 -14 -14 1661.68 216.34 -2 14 -11 14 1661.68 216.34 1 11 -14 -15 -71.96 175.14 -2 14 -11 15 -71.96 175.14 1 11 -14 -15 294.48 184.46 -2 14 -11 15 294.48 184.46 1 11 -14 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197.81 -2 14 -10 -12 1105.52 197.81 1 10 -14 12 1140.39 170.31 -2 14 -10 -12 1140.39 170.31 1 10 -14 11 1926.35 190.10 -2 14 -10 -11 1926.35 190.10 1 10 -14 11 1589.18 202.30 -2 14 -10 -11 1589.18 202.30 1 10 -14 10 1222.09 165.82 -2 14 -10 -10 1222.09 165.82 1 10 -14 10 940.05 191.02 -2 14 -10 -10 940.05 191.02 1 10 -14 9 1817.03 191.83 -2 14 -10 -9 1817.03 191.83 1 10 -14 9 1952.82 220.14 -2 14 -10 -9 1952.82 220.14 1 10 -14 8 2009.20 219.56 -2 14 -10 -8 2009.20 219.56 1 10 -14 8 2430.38 211.74 -2 14 -10 -8 2430.38 211.74 1 10 -14 7 3101.26 250.06 -2 14 -10 -7 3101.26 250.06 1 10 -14 7 3105.87 264.56 -2 14 -10 -7 3105.87 264.56 1 10 -14 6 6064.44 415.54 -2 14 -10 -6 6064.44 415.54 1 10 -14 6 5826.23 391.71 -2 14 -10 -6 5826.23 391.71 1 10 -14 3 4792.86 337.05 -2 14 -10 -3 4792.86 337.05 1 10 -14 2 2756.04 239.70 -2 14 -10 -2 2756.04 239.70 1 10 -14 1 818.99 164.56 -2 14 -10 -1 818.99 164.56 1 10 -14 0 437.74 166.86 -2 14 -10 0 437.74 166.86 1 10 -14 0 240.16 181.82 -2 14 -10 0 240.16 181.82 1 10 -14 -1 874.34 180.21 -2 14 -10 1 874.34 180.21 1 10 -14 -1 1051.67 176.06 -2 14 -10 1 1051.67 176.06 1 10 -14 -2 2383.20 233.03 -2 14 -10 2 2383.20 233.03 1 10 -14 -2 2749.13 244.42 -2 14 -10 2 2749.13 244.42 1 10 -14 -3 1861.91 207.94 -2 14 -10 3 1861.91 207.94 1 10 -14 -3 2353.28 231.30 -2 14 -10 3 2353.28 231.30 1 10 -14 -4 970.42 173.88 -2 14 -10 4 970.42 173.88 1 10 -14 -4 629.23 171.69 -2 14 -10 4 629.23 171.69 1 10 -14 -5 314.73 164.56 -2 14 -10 5 314.73 164.56 1 10 -14 -5 316.11 154.09 -2 14 -10 5 316.11 154.09 1 10 -14 -6 126.93 158.23 -2 14 -10 6 126.93 158.23 1 10 -14 -6 169.85 172.38 -2 14 -10 6 169.85 172.38 1 10 -14 -7 1368.24 202.88 -2 14 -10 7 1368.24 202.88 1 10 -14 -7 1110.59 183.08 -2 14 -10 7 1110.59 183.08 1 10 -14 -8 506.79 164.44 -2 14 -10 8 506.79 164.44 1 10 -14 -8 771.92 189.76 -2 14 -10 8 771.92 189.76 1 10 -14 -9 68.32 163.18 -2 14 -10 9 68.32 163.18 1 10 -14 -9 173.19 178.71 -2 14 -10 9 173.19 178.71 1 10 -14 -10 9239.35 588.03 -2 14 -10 10 9239.35 588.03 1 10 -14 -10 8266.96 529.34 -2 14 -10 10 8266.96 529.34 1 10 -14 -11 536.36 183.89 -2 14 -10 11 536.36 183.89 1 10 -14 -11 857.88 183.77 -2 14 -10 11 857.88 183.77 1 10 -14 -12 603.68 171.46 -2 14 -10 12 603.68 171.46 1 10 -14 -12 362.72 184.00 -2 14 -10 12 362.72 184.00 1 10 -14 -13 3771.00 289.18 -2 14 -10 13 3771.00 289.18 1 10 -14 -14 1597.24 218.18 -2 14 -10 14 1597.24 218.18 1 10 -14 -14 2092.06 220.25 -2 14 -10 14 2092.06 220.25 1 10 -14 -15 84.38 163.52 -2 14 -10 15 84.38 163.52 1 10 -14 -16 581.82 206.44 -2 14 -10 16 581.82 206.44 1 10 -14 -16 271.58 165.94 -2 14 -10 16 271.58 165.94 1 10 -14 -17 486.42 165.94 -2 14 -10 17 486.42 165.94 1 10 -14 -17 1019.56 202.42 -2 14 -10 17 1019.56 202.42 1 10 -14 -18 402.99 163.06 -2 14 -10 18 402.99 163.06 1 10 -14 -18 586.54 207.60 -2 14 -10 18 586.54 207.60 1 10 -14 -19 1048.33 218.99 -2 14 -10 19 1048.33 218.99 1 10 -14 -19 418.18 156.04 -2 14 -10 19 418.18 156.04 1 -10 14 19 617.72 211.28 -2 -14 10 -19 617.72 211.28 1 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3485.61 278.48 1 9 -15 -8 3338.32 273.07 -2 15 -9 8 3338.32 273.07 1 9 -15 -9 482.74 172.04 -2 15 -9 9 482.74 172.04 1 9 -15 -9 875.72 189.07 -2 15 -9 9 875.72 189.07 1 9 -15 -10 3730.72 288.26 -2 15 -9 10 3730.72 288.26 1 9 -15 -10 3235.90 267.89 -2 15 -9 10 3235.90 267.89 1 9 -15 -11 2626.00 238.90 -2 15 -9 11 2626.00 238.90 1 9 -15 -11 2635.21 240.05 -2 15 -9 11 2635.21 240.05 1 9 -15 -12 3400.46 276.64 -2 15 -9 12 3400.46 276.64 1 9 -15 -12 3528.19 280.55 -2 15 -9 12 3528.19 280.55 1 9 -15 -13 161.33 167.20 -2 15 -9 13 161.33 167.20 1 9 -15 -13 213.00 176.76 -2 15 -9 13 213.00 176.76 1 9 -15 -14 861.10 205.06 -2 15 -9 14 861.10 205.06 1 9 -15 -15 309.32 177.45 -2 15 -9 15 309.32 177.45 1 9 -15 -15 700.69 231.30 -2 15 -9 15 700.69 231.30 1 8 -15 15 541.54 158.57 -2 15 -8 -15 541.54 158.57 1 8 -15 14 1390.10 180.21 -2 15 -8 -14 1390.10 180.21 1 8 -15 13 2242.81 214.15 -2 15 -8 -13 2242.81 214.15 1 8 -15 13 2173.76 212.77 -2 15 -8 -13 2173.76 212.77 1 8 -15 12 2446.49 228.65 -2 15 -8 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176.06 1 8 -15 2 2255.46 209.90 -2 15 -8 -2 2255.46 209.90 1 8 -15 2 2103.57 197.93 -2 15 -8 -2 2103.57 197.93 1 8 -15 1 2042.58 198.50 -2 15 -8 -1 2042.58 198.50 1 8 -15 1 1965.48 198.73 -2 15 -8 -1 1965.48 198.73 1 8 -15 0 1583.43 184.24 -2 15 -8 0 1583.43 184.24 1 8 -15 0 1266.97 177.33 -2 15 -8 0 1266.97 177.33 1 8 -15 -1 1304.95 182.39 -2 15 -8 1 1304.95 182.39 1 8 -15 -1 1034.87 170.43 -2 15 -8 1 1034.87 170.43 1 8 -15 -2 2765.24 235.33 -2 15 -8 2 2765.24 235.33 1 8 -15 -2 2258.92 221.06 -2 15 -8 2 2258.92 221.06 1 8 -15 -3 1485.61 182.74 -2 15 -8 3 1485.61 182.74 1 8 -15 -3 1823.93 207.37 -2 15 -8 3 1823.93 207.37 1 8 -15 -4 2292.29 213.00 -2 15 -8 4 2292.29 213.00 1 8 -15 -4 2362.48 230.03 -2 15 -8 4 2362.48 230.03 1 8 -15 -5 4180.66 307.25 -2 15 -8 5 4180.66 307.25 1 8 -15 -5 4554.66 323.59 -2 15 -8 5 4554.66 323.59 1 8 -15 -6 3528.19 273.88 -2 15 -8 6 3528.19 273.88 1 8 -15 -7 309.78 177.21 -2 15 -8 7 309.78 177.21 1 8 -15 -8 2874.57 256.96 -2 15 -8 8 2874.57 256.96 1 8 -15 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1 7 -15 4 6737.62 431.76 -2 15 -7 -4 6737.62 431.76 1 7 -15 4 6078.24 391.94 -2 15 -7 -4 6078.24 391.94 1 7 -15 3 1658.23 171.46 -2 15 -7 -3 1658.23 171.46 1 7 -15 3 1792.86 178.60 -2 15 -7 -3 1792.86 178.60 1 7 -15 2 2166.86 198.16 -2 15 -7 -2 2166.86 198.16 1 7 -15 2 2187.57 195.28 -2 15 -7 -2 2187.57 195.28 1 7 -15 1 3139.24 242.23 -2 15 -7 -1 3139.24 242.23 1 7 -15 1 2955.12 236.48 -2 15 -7 -1 2955.12 236.48 1 7 -15 0 972.73 153.28 -2 15 -7 0 972.73 153.28 1 7 -15 0 1046.26 162.60 -2 15 -7 0 1046.26 162.60 1 7 -15 -2 6384.34 419.91 -2 15 -7 2 6384.34 419.91 1 7 -15 -2 5742.23 383.08 -2 15 -7 2 5742.23 383.08 1 7 -15 -3 2530.49 219.22 -2 15 -7 3 2530.49 219.22 1 7 -15 -3 2133.48 203.45 -2 15 -7 3 2133.48 203.45 1 7 -15 -4 3955.12 288.49 -2 15 -7 4 3955.12 288.49 1 7 -15 -4 3650.17 274.80 -2 15 -7 4 3650.17 274.80 1 7 -15 -5 805.06 155.70 -2 15 -7 5 805.06 155.70 1 7 -15 -5 1010.82 173.65 -2 15 -7 5 1010.82 173.65 1 7 -15 -6 182.85 145.34 -2 15 -7 6 182.85 145.34 1 7 -15 -6 659.03 162.83 -2 15 -7 6 659.03 162.83 1 7 -15 -7 5667.43 379.63 -2 15 -7 7 5667.43 379.63 1 7 -15 -7 5493.67 372.50 -2 15 -7 7 5493.67 372.50 1 7 -15 -8 1676.64 185.73 -2 15 -7 8 1676.64 185.73 1 7 -15 -8 1416.57 189.99 -2 15 -7 8 1416.57 189.99 1 7 -15 -9 431.30 173.88 -2 15 -7 9 431.30 173.88 1 7 -15 -9 79.18 143.96 -2 15 -7 9 79.18 143.96 1 7 -15 -10 396.20 176.76 -2 15 -7 10 396.20 176.76 1 7 -15 -11 4057.53 300.35 -2 15 -7 11 4057.53 300.35 1 7 -15 -12 487.80 161.68 -2 15 -7 12 487.80 161.68 1 7 -15 -12 709.21 187.11 -2 15 -7 12 709.21 187.11 1 7 -15 -13 259.26 158.46 -2 15 -7 13 259.26 158.46 1 7 -15 -13 331.65 168.47 -2 15 -7 13 331.65 168.47 1 7 -15 -14 1086.42 196.20 -2 15 -7 14 1086.42 196.20 1 7 -15 -14 944.07 172.73 -2 15 -7 14 944.07 172.73 1 7 -15 -15 1108.74 181.82 -2 15 -7 15 1108.74 181.82 1 7 -15 -15 945.68 197.93 -2 15 -7 15 945.68 197.93 1 6 -15 16 3464.90 264.33 -2 15 -6 -16 3464.90 264.33 1 6 -15 16 3126.58 258.23 -2 15 -6 -16 3126.58 258.23 1 6 -15 15 3971.23 289.07 -2 15 -6 -15 3971.23 289.07 1 6 -15 15 3866.51 279.40 -2 15 -6 -15 3866.51 279.40 1 6 -15 14 729.80 147.07 -2 15 -6 -14 729.80 147.07 1 6 -15 14 852.47 148.91 -2 15 -6 -14 852.47 148.91 1 6 -15 13 3608.74 258.11 -2 15 -6 -13 3608.74 258.11 1 6 -15 13 3300.34 247.99 -2 15 -6 -13 3300.34 247.99 1 6 -15 12 2639.81 207.13 -2 15 -6 -12 2639.81 207.13 1 6 -15 11 965.82 141.43 -2 15 -6 -11 965.82 141.43 1 6 -15 10 811.28 140.39 -2 15 -6 -10 811.28 140.39 1 6 -15 10 651.44 141.54 -2 15 -6 -10 651.44 141.54 1 6 -15 9 1083.20 141.66 -2 15 -6 -9 1083.20 141.66 1 6 -15 8 4264.67 288.03 -2 15 -6 -8 4264.67 288.03 1 6 -15 7 2560.41 198.39 -2 15 -6 -7 2560.41 198.39 1 6 -15 6 1011.74 126.70 -2 15 -6 -6 1011.74 126.70 1 6 -15 5 1461.45 150.98 -2 15 -6 -5 1461.45 150.98 1 6 -15 4 2711.16 208.74 -2 15 -6 -4 2711.16 208.74 1 6 -15 3 1535.10 152.82 -2 15 -6 -3 1535.10 152.82 1 6 -15 2 5623.70 360.99 -2 15 -6 -2 5623.70 360.99 1 6 -15 1 6668.58 419.91 -2 15 -6 -1 6668.58 419.91 1 6 -15 1 5823.93 377.21 -2 15 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-11 1101.72 174.80 -2 15 -6 11 1101.72 174.80 1 6 -15 -11 1394.71 186.08 -2 15 -6 11 1394.71 186.08 1 6 -15 -12 643.27 177.45 -2 15 -6 12 643.27 177.45 1 6 -15 -13 578.37 160.99 -2 15 -6 13 578.37 160.99 1 6 -15 -14 384.00 162.72 -2 15 -6 14 384.00 162.72 1 6 -15 -14 196.20 160.18 -2 15 -6 14 196.20 160.18 1 -6 15 14 190.68 219.56 -2 -15 6 -14 190.68 219.56 1 6 -15 -15 228.19 164.67 -2 15 -6 15 228.19 164.67 1 6 -15 -15 81.12 152.24 -2 15 -6 15 81.12 152.24 1 5 -15 17 8133.48 509.55 -2 15 -5 -17 8133.48 509.55 1 5 -15 16 1907.94 184.35 -2 15 -5 -16 1907.94 184.35 1 5 -15 16 1896.43 177.56 -2 15 -5 -16 1896.43 177.56 1 5 -15 15 1441.89 150.98 -2 15 -5 -15 1441.89 150.98 1 5 -15 14 2843.50 208.51 -2 15 -5 -14 2843.50 208.51 1 5 -15 14 3025.31 219.91 -2 15 -5 -14 3025.31 219.91 1 5 -15 13 1841.19 160.76 -2 15 -5 -13 1841.19 160.76 1 5 -15 13 1515.53 155.12 -2 15 -5 -13 1515.53 155.12 1 5 -15 12 2220.94 183.20 -2 15 -5 -12 2220.94 183.20 1 5 -15 12 2150.75 169.51 -2 15 -5 -12 2150.75 169.51 1 5 -15 11 2293.44 181.47 -2 15 -5 -11 2293.44 181.47 1 5 -15 11 2121.98 159.61 -2 15 -5 -11 2121.98 159.61 1 5 -15 10 316.11 106.36 -2 15 -5 -10 316.11 106.36 1 5 -15 10 391.37 90.81 -2 15 -5 -10 391.37 90.81 1 5 -15 9 3729.57 244.53 -2 15 -5 -9 3729.57 244.53 1 5 -15 9 3782.50 242.92 -2 15 -5 -9 3782.50 242.92 1 5 -15 8 1196.78 114.32 -2 15 -5 -8 1196.78 114.32 1 5 -15 8 1151.90 106.42 -2 15 -5 -8 1151.90 106.42 1 5 -15 7 204.14 79.85 -2 15 -5 -7 204.14 79.85 1 5 -15 7 213.12 87.74 -2 15 -5 -7 213.12 87.74 1 5 -15 6 1382.05 123.13 -2 15 -5 -6 1382.05 123.13 1 5 -15 6 1253.16 110.07 -2 15 -5 -6 1253.16 110.07 1 5 -15 5 689.18 87.51 -2 15 -5 -5 689.18 87.51 1 5 -15 5 449.94 92.37 -2 15 -5 -5 449.94 92.37 1 5 -15 4 3332.56 218.18 -2 15 -5 -4 3332.56 218.18 1 5 -15 4 3281.93 216.46 -2 15 -5 -4 3281.93 216.46 1 5 -15 3 9363.63 564.90 -2 15 -5 -3 9363.63 564.90 1 5 -15 3 8499.42 513.69 -2 15 -5 -3 8499.42 513.69 1 5 -15 2 1391.25 122.90 -2 15 -5 -2 1391.25 122.90 1 5 -15 2 1116.45 114.81 -2 15 -5 -2 1116.45 114.81 1 5 -15 1 1406.21 131.76 -2 15 -5 -1 1406.21 131.76 1 5 -15 1 1091.14 118.07 -2 15 -5 -1 1091.14 118.07 1 5 -15 0 3561.56 241.43 -2 15 -5 0 3561.56 241.43 1 5 -15 0 3926.35 260.18 -2 15 -5 0 3926.35 260.18 1 5 -15 -1 1347.52 139.70 -2 15 -5 1 1347.52 139.70 1 5 -15 -1 1452.24 146.95 -2 15 -5 1 1452.24 146.95 1 5 -15 -2 2926.35 214.96 -2 15 -5 2 2926.35 214.96 1 5 -15 -2 2630.61 208.51 -2 15 -5 2 2630.61 208.51 1 5 -15 -3 740.85 145.68 -2 15 -5 3 740.85 145.68 1 5 -15 -4 596.09 149.71 -2 15 -5 4 596.09 149.71 1 5 -15 -5 427.16 123.71 -2 15 -5 5 427.16 123.71 1 5 -15 -6 57.93 121.40 -2 15 -5 6 57.93 121.40 1 5 -15 -6 43.27 157.19 -2 15 -5 6 43.27 157.19 1 5 -15 -7 2842.34 249.83 -2 15 -5 7 2842.34 249.83 1 5 -15 -7 2806.67 224.51 -2 15 -5 7 2806.67 224.51 1 5 -15 -8 4764.09 322.55 -2 15 -5 8 4764.09 322.55 1 5 -15 -8 4622.55 329.57 -2 15 -5 8 4622.55 329.57 1 5 -15 -9 455.24 142.23 -2 15 -5 9 455.24 142.23 1 5 -15 -9 507.25 159.15 -2 15 -5 9 507.25 159.15 1 5 -15 -10 1253.16 166.51 -2 15 -5 10 1253.16 166.51 1 5 -15 -10 980.90 146.84 -2 15 -5 10 980.90 146.84 1 5 -15 -11 306.33 138.78 -2 15 -5 11 306.33 138.78 1 5 -15 -11 364.33 149.83 -2 15 -5 11 364.33 149.83 1 5 -15 -12 912.54 171.00 -2 15 -5 12 912.54 171.00 1 5 -15 -12 1158.80 165.36 -2 15 -5 12 1158.80 165.36 1 5 -15 -13 2172.61 203.91 -2 15 -5 13 2172.61 203.91 1 5 -15 -14 428.88 160.07 -2 15 -5 14 428.88 160.07 1 5 -15 -14 409.55 168.12 -2 15 -5 14 409.55 168.12 1 -5 15 14 4.47 227.73 -2 -15 5 -14 4.47 227.73 1 5 -15 -15 -89.11 155.81 -2 15 -5 15 -89.11 155.81 1 4 -15 16 1563.86 134.18 -2 15 -4 -16 1563.86 134.18 1 4 -15 16 1927.50 145.80 -2 15 -4 -16 1927.50 145.80 1 4 -15 -4 2342.92 183.31 -2 15 -4 4 2342.92 183.31 1 4 -15 -4 2325.66 178.02 -2 15 -4 4 2325.66 178.02 1 4 -15 -5 9301.49 570.42 -2 15 -4 5 9301.49 570.42 1 4 -15 -510692.00 649.14 -2 15 -4 510692.00 649.14 1 4 -15 -6 5208.28 345.22 -2 15 -4 6 5208.28 345.22 1 4 -15 -7 914.04 137.40 -2 15 -4 7 914.04 137.40 1 4 -15 -8 2187.57 185.85 -2 15 -4 8 2187.57 185.85 1 4 -15 -9 3354.43 245.57 -2 15 -4 9 3354.43 245.57 1 4 -15 -9 3011.50 252.24 -2 15 -4 9 3011.50 252.24 1 4 -15 -10 314.84 128.88 -2 15 -4 10 314.84 128.88 1 4 -15 -10 482.16 166.05 -2 15 -4 10 482.16 166.05 1 4 -15 -11 42.28 159.95 -2 15 -4 11 42.28 159.95 1 4 -15 -11 7.65 129.23 -2 15 -4 11 7.65 129.23 1 4 -15 -12 370.43 166.51 -2 15 -4 12 370.43 166.51 1 4 -15 -12 408.86 146.60 -2 15 -4 12 408.86 146.60 1 -4 15 12 482.16 183.89 -2 -15 4 -12 482.16 183.89 1 4 -15 -13 445.11 151.78 -2 15 -4 13 445.11 151.78 1 4 -15 -13 427.16 166.40 -2 15 -4 13 427.16 166.40 1 -4 15 13 315.19 207.60 -2 -15 4 -13 315.19 207.60 1 4 -15 -14 -20.67 145.22 -2 15 -4 14 -20.67 145.22 1 4 -15 -14 130.84 155.81 -2 15 -4 14 130.84 155.81 1 3 -15 -6 383.77 96.02 -2 15 -3 6 383.77 96.02 1 3 -15 -6 376.87 93.12 -2 15 -3 6 376.87 93.12 1 3 -15 -7 2130.03 171.92 -2 15 -3 7 2130.03 171.92 1 3 -15 -7 2645.57 195.40 -2 15 -3 7 2645.57 195.40 1 3 -15 -8 5185.27 336.94 -2 15 -3 8 5185.27 336.94 1 3 -15 -9 1466.05 151.32 -2 15 -3 9 1466.05 151.32 1 3 -15 -10 671.23 138.90 -2 15 -3 10 671.23 138.90 1 3 -15 -10 411.51 119.22 -2 15 -3 10 411.51 119.22 1 3 -15 -11 -25.77 139.47 -2 15 -3 11 -25.77 139.47 1 3 -15 -11 288.84 125.78 -2 15 -3 11 288.84 125.78 1 -3 15 11 217.61 179.86 -2 -15 3 -11 217.61 179.86 1 3 -15 -12 2502.87 220.83 -2 15 -3 12 2502.87 220.83 1 3 -15 -12 2515.53 222.21 -2 15 -3 12 2515.53 222.21 1 3 -15 -13 99.32 145.34 -2 15 -3 13 99.32 145.34 1 3 -15 -13 88.53 144.65 -2 15 -3 13 88.53 144.65 1 2 -15 -7 1504.03 123.93 -2 15 -2 7 1504.03 123.93 1 2 -15 -7 1296.89 115.31 -2 15 -2 7 1296.89 115.31 1 2 -15 -8 16.14 92.24 -2 15 -2 8 16.14 92.24 1 2 -15 -8 64.68 96.05 -2 15 -2 8 64.68 96.05 1 2 -15 -9 3674.33 250.29 -2 15 -2 9 3674.33 250.29 1 2 -15 -9 3962.02 268.81 -2 15 -2 9 3962.02 268.81 1 2 -15 -10 5577.67 363.64 -2 15 -2 10 5577.67 363.64 1 2 -15 -10 5240.50 347.76 -2 15 -2 10 5240.50 347.76 1 2 -15 -11 2507.48 206.90 -2 15 -2 11 2507.48 206.90 1 2 -15 -11 2888.37 227.62 -2 15 -2 11 2888.37 227.62 1 1 -15 -9 128.08 90.68 -2 15 -1 9 128.08 90.68 1 1 -15 -9 153.28 92.19 -2 15 -1 9 153.28 92.19 1 8 -16 4 954.31 160.07 -2 16 -8 -4 954.31 160.07 1 8 -16 4 776.41 145.68 -2 16 -8 -4 776.41 145.68 1 8 -16 3 2911.39 230.96 -2 16 -8 -3 2911.39 230.96 1 8 -16 3 2483.31 212.66 -2 16 -8 -3 2483.31 212.66 1 8 -16 2 769.62 148.56 -2 16 -8 -2 769.62 148.56 1 8 -16 2 1140.97 172.61 -2 16 -8 -2 1140.97 172.61 1 8 -16 1 2555.81 219.10 -2 16 -8 -1 2555.81 219.10 1 8 -16 1 2047.18 205.52 -2 16 -8 -1 2047.18 205.52 1 8 -16 0 1409.66 179.40 -2 16 -8 0 1409.66 179.40 1 8 -16 0 1331.41 182.74 -2 16 -8 0 1331.41 182.74 1 8 -16 -1 657.19 153.74 -2 16 -8 1 657.19 153.74 1 8 -16 -1 718.07 156.73 -2 16 -8 1 718.07 156.73 1 8 -16 -2 4064.44 306.90 -2 16 -8 2 4064.44 306.90 1 8 -16 -2 3510.93 267.20 -2 16 -8 2 3510.93 267.20 1 8 -16 -3 969.50 158.00 -2 16 -8 3 969.50 158.00 1 7 -16 5 867.78 136.59 -2 16 -7 -5 867.78 136.59 1 7 -16 4 1192.17 144.07 -2 16 -7 -4 1192.17 144.07 1 7 -16 3 2279.63 191.48 -2 16 -7 -3 2279.63 191.48 1 7 -16 2 6711.16 426.12 -2 16 -7 -2 6711.16 426.12 1 7 -16 2 6443.03 417.61 -2 16 -7 -2 6443.03 417.61 1 7 -16 1 2268.12 194.25 -2 16 -7 -1 2268.12 194.25 1 7 -16 1 2215.19 202.19 -2 16 -7 -1 2215.19 202.19 1 7 -16 0 1364.79 157.54 -2 16 -7 0 1364.79 157.54 1 7 -16 0 985.96 164.44 -2 16 -7 0 985.96 164.44 1 7 -16 -1 1661.68 170.54 -2 16 -7 1 1661.68 170.54 1 7 -16 -1 1560.41 181.36 -2 16 -7 1 1560.41 181.36 1 7 -16 -2 643.38 141.31 -2 16 -7 2 643.38 141.31 1 7 -16 -2 582.97 158.80 -2 16 -7 2 582.97 158.80 1 7 -16 -3 965.59 159.15 -2 16 -7 3 965.59 159.15 1 7 -16 -3 802.53 164.44 -2 16 -7 3 802.53 164.44 1 7 -16 -4 590.79 154.43 -2 16 -7 4 590.79 154.43 1 7 -16 -4 272.04 156.50 -2 16 -7 4 272.04 156.50 1 6 -16 6 719.91 118.41 -2 16 -6 -6 719.91 118.41 1 6 -16 6 1072.73 120.71 -2 16 -6 -6 1072.73 120.71 1 6 -16 5 2146.14 172.84 -2 16 -6 -5 2146.14 172.84 1 6 -16 5 2094.36 160.18 -2 16 -6 -5 2094.36 160.18 1 6 -16 4 2219.79 171.35 -2 16 -6 -4 2219.79 171.35 1 6 -16 4 2168.01 168.12 -2 16 -6 -4 2168.01 168.12 1 6 -16 3 1196.78 127.62 -2 16 -6 -3 1196.78 127.62 1 6 -16 3 1185.27 127.04 -2 16 -6 -3 1185.27 127.04 1 6 -16 2 1762.94 150.29 -2 16 -6 -2 1762.94 150.29 1 6 -16 2 1318.76 137.17 -2 16 -6 -2 1318.76 137.17 1 6 -16 1 1373.99 135.21 -2 16 -6 -1 1373.99 135.21 1 6 -16 1 1137.74 137.51 -2 16 -6 -1 1137.74 137.51 1 6 -16 0 1520.14 149.14 -2 16 -6 0 1520.14 149.14 1 6 -16 0 1735.33 168.70 -2 16 -6 0 1735.33 168.70 1 6 -16 -1 2310.70 198.04 -2 16 -6 1 2310.70 198.04 1 6 -16 -2 2334.87 205.29 -2 16 -6 2 2334.87 205.29 1 6 -16 -3 1504.03 163.29 -2 16 -6 3 1504.03 163.29 1 6 -16 -4 1144.30 155.81 -2 16 -6 4 1144.30 155.81 1 5 -16 -3 3170.31 223.13 -2 16 -5 3 3170.31 223.13 1 5 -16 -3 2894.13 205.87 -2 16 -5 3 2894.13 205.87 1 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 50309 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1A C 0.2230(4) -0.0111(3) 0.04314(18) 0.0244(8) Uani 1 1 d . . . . . C1B C 0.3125(4) 0.0613(3) 0.07675(19) 0.0267(9) Uani 1 1 d . . . . . H1B H 0.3816 0.0825 0.0643 0.032 Uiso 1 1 calc R U . . . C1C C 0.3013(4) 0.1026(3) 0.12854(17) 0.0221(8) Uani 1 1 d . . . . . C1D C 0.2000(4) 0.0708(3) 0.14601(17) 0.0226(8) Uani 1 1 d . . . . . C1E C 0.1099(4) -0.0038(3) 0.11401(18) 0.0230(8) Uani 1 1 d . . . . . C1F C 0.1243(4) -0.0440(3) 0.06237(18) 0.0240(8) Uani 1 1 d . . . . . H1F H 0.0644 -0.0954 0.0399 0.029 Uiso 1 1 calc R U . . . O1G O 0.1885(3) 0.1132(2) 0.19791(13) 0.0245(6) Uani 1 1 d . . . . . C1H C 0.1489(4) 0.2173(3) 0.20370(19) 0.0271(9) Uani 1 1 d . . . . . H1H1 H 0.0714 0.2072 0.1845 0.032 Uiso 1 1 calc R U . . . H1H2 H 0.1986 0.274 0.1897 0.032 Uiso 1 1 calc R U . . . C1I C 0.1502(5) 0.2551(4) 0.2622(2) 0.0320(10) Uani 1 1 d . . . . . H1I1 H 0.2292 0.2729 0.2802 0.038 Uiso 1 1 calc R U . . . H1I2 H 0.1098 0.1927 0.2766 0.038 Uiso 1 1 calc R U . . . C1J C 0.0950(6) 0.3584(5) 0.2735(2) 0.0388(12) Uani 1 1 d . . . . . HIJ1 H 0.1355 0.4214 0.2595 0.047 Uiso 1 1 calc R U . . . HIJ2 H 0.0159 0.341 0.2556 0.047 Uiso 1 1 calc R U . . . C1K C 0.0976(7) 0.3932(6) 0.3324(3) 0.0522(18) Uani 1 1 d . . . . . H1K1 H 0.1764 0.4071 0.3504 0.063 Uiso 1 1 calc R U . A 1 H1K2 H 0.0538 0.3318 0.346 0.063 Uiso 1 1 calc R U . A 1 S1L S 0.0375(3) 0.5213(3) 0.34564(12) 0.0484(7) Uani 0.65 1 d . . P B 1 O1M O -0.0775(9) 0.4891(7) 0.3168(4) 0.0604(13) Uani 0.65 1 d . . P B 1 O1N O 0.0989(9) 0.6137(7) 0.3284(4) 0.0604(13) Uani 0.65 1 d . . P B 1 O1O O 0.0430(9) 0.5423(7) 0.4028(4) 0.0604(13) Uani 0.65 1 d . . P B 1 S1LA S -0.0034(7) 0.4794(5) 0.3457(3) 0.0484(7) Uani 0.35 1 d . . P B 2 O1MA O -0.1135(16) 0.4262(14) 0.3170(7) 0.0604(13) Uani 0.35 1 d . . P B 2 O1NA O 0.0558(18) 0.5893(15) 0.3320(9) 0.0604(13) Uani 0.35 1 d . . P B 2 O1OA O -0.0184(17) 0.4958(13) 0.3986(7) 0.0604(13) Uani 0.35 1 d . . P B 2 C1P C 0.2348(5) -0.0527(5) -0.0133(2) 0.0355(11) Uani 1 1 d . . . . . H1P1 H 0.1949 -0.1307 -0.0242 0.053 Uiso 1 1 d R U . . . H1P2 H 0.3148 -0.0492 -0.0164 0.053 Uiso 1 1 d R U . . . H1P3 H 0.2023 -0.0053 -0.0358 0.053 Uiso 1 1 d R U . . . C1Q C 0.0011(4) -0.0415(3) 0.1341(2) 0.0256(8) Uani 1 1 d . . . . . H1Q1 H -0.0604 -0.0124 0.115 0.031 Uiso 1 1 calc R U . . . H1Q2 H 0.0088 -0.0079 0.1717 0.031 Uiso 1 1 calc R U . . . C2A C -0.1524(4) -0.3448(3) 0.08359(18) 0.0233(8) Uani 1 1 d . . . . . C2B C -0.1213(4) -0.2265(3) 0.09027(18) 0.0248(8) Uani 1 1 d . . . . . H2B H -0.1623 -0.1862 0.0687 0.03 Uiso 1 1 calc R U . . . C2C C -0.0317(4) -0.1683(3) 0.12784(18) 0.0228(8) Uani 1 1 d . . . . . C2D C 0.0272(4) -0.2274(3) 0.15934(17) 0.0225(8) Uani 1 1 d . . . . . C2E C 0.0027(4) -0.3450(3) 0.15275(17) 0.0221(7) Uani 1 1 d . . . . . C2F C -0.0892(4) -0.4008(3) 0.11470(18) 0.0251(8) Uani 1 1 d . . . . . H2F H -0.1087 -0.4804 0.1102 0.03 Uiso 1 1 calc R U . . . O2G O 0.1140(3) -0.1677(3) 0.19869(13) 0.0254(6) Uani 1 1 d . . . . . C2H C 0.0712(4) -0.1366(4) 0.24694(19) 0.0286(9) Uani 1 1 d . . . . . H2H1 H 0.0438 -0.2048 0.2611 0.034 Uiso 1 1 calc R U . . . H2H2 H 0.0077 -0.0963 0.2407 0.034 Uiso 1 1 calc R U . . . C2I C 0.1662(5) -0.0614(4) 0.28533(19) 0.0295(9) Uani 1 1 d . . . . . H2I1 H 0.2032 -0.0022 0.268 0.035 Uiso 1 1 calc R U . . . H2I2 H 0.2231 -0.1064 0.2961 0.035 Uiso 1 1 calc R U . . . C2J C 0.1235(5) -0.0061(4) 0.3340(2) 0.0337(10) Uani 1 1 d . . . . . H2J1 H 0.0602 0.0314 0.3232 0.04 Uiso 1 1 calc R U . . . H2J2 H 0.0954 -0.0644 0.354 0.04 Uiso 1 1 calc R U . . . C2K C 0.2179(6) 0.0797(4) 0.3685(2) 0.0389(12) Uani 1 1 d . . . . . H2K1 H 0.2405 0.1412 0.3493 0.047 Uiso 1 1 calc R U . . . H2K2 H 0.2839 0.0432 0.3757 0.047 Uiso 1 1 calc R U . . . S2L S 0.1796(2) 0.13752(13) 0.42848(6) 0.0519(5) Uani 1 1 d . . . . . O2M O 0.0787(7) 0.1775(6) 0.4157(2) 0.083(2) Uani 1 1 d . . . . . O2N O 0.2691(8) 0.2322(4) 0.4530(2) 0.081(2) Uani 1 1 d . . . . . O2O O 0.1703(6) 0.0493(4) 0.45919(19) 0.0582(14) Uani 1 1 d . . . . . C2P C -0.2521(4) -0.4063(4) 0.0451(2) 0.0310(10) Uani 1 1 d . . . . . H2P1 H -0.2393 -0.3957 0.0097 0.047 Uiso 1 1 d R U . . . H2P2 H -0.3194 -0.3766 0.0533 0.047 Uiso 1 1 d R U . . . H2P3 H -0.2629 -0.4867 0.0467 0.047 Uiso 1 1 d R U . . . C2Q C 0.0707(4) -0.4090(3) 0.18668(17) 0.0255(8) Uani 1 1 d . . . . . H2Q1 H 0.1204 -0.3542 0.2154 0.031 Uiso 1 1 calc R U . . . H2Q2 H 0.0181 -0.4587 0.2028 0.031 Uiso 1 1 calc R U . . . C3A C 0.1515(4) -0.6431(3) 0.09107(19) 0.0260(9) Uani 1 1 d . . . . . C3B C 0.0905(4) -0.5769(3) 0.12061(19) 0.0238(8) Uani 1 1 d . . . . . H3B H 0.0107 -0.5979 0.1159 0.029 Uiso 1 1 calc R U . . . C3C C 0.1425(4) -0.4798(3) 0.15721(18) 0.0223(8) Uani 1 1 d . . . . . C3D C 0.2609(4) -0.4532(3) 0.16443(18) 0.0230(8) Uani 1 1 d . . . . . C3E C 0.3248(4) -0.5159(3) 0.13457(19) 0.0244(8) Uani 1 1 d . . . . . C3F C 0.2669(4) -0.6110(3) 0.09800(19) 0.0260(9) Uani 1 1 d . . . . . H3F H 0.3091 -0.6545 0.0773 0.031 Uiso 1 1 calc R U . . . O3G O 0.3176(3) -0.3588(3) 0.19998(15) 0.0342(8) Uani 1 1 d . . . . . C3H C 0.3423(14) -0.4065(10) 0.2519(5) 0.043(3) Uani 0.45 1 d . . P C 1 H3H2 H 0.2711 -0.4264 0.2659 0.051 Uiso 0.45 1 calc R U P C 1 H3H1 H 0.375 -0.4754 0.2445 0.051 Uiso 0.45 1 calc R U P C 1 C3I C 0.419(2) -0.323(3) 0.2899(7) 0.093(10) Uani 0.45 1 d . . P C 1 H3I1 H 0.3903 -0.2519 0.2961 0.112 Uiso 0.45 1 calc R U P C 1 H3I2 H 0.4939 -0.3081 0.2781 0.112 Uiso 0.45 1 calc R U P C 1 C3J C 0.4284(15) -0.3770(12) 0.3409(4) 0.104(5) Uani 0.45 1 d . . P C 1 H3J1 H 0.4019 -0.4593 0.3305 0.125 Uiso 0.45 1 calc R U P C 1 H3J2 H 0.509 -0.3649 0.3563 0.125 Uiso 0.45 1 calc R U P C 1 C3K C 0.3715(15) -0.3385(17) 0.3779(7) 0.059(4) Uani 0.45 1 d . . P C 1 H3K1 H 0.2905 -0.3605 0.363 0.07 Uiso 0.45 1 calc R U P C 1 H3K2 H 0.3893 -0.2553 0.383 0.07 Uiso 0.45 1 calc R U P C 1 S3L S 0.3851(4) -0.3735(3) 0.44031(14) 0.0481(9) Uani 0.45 1 d . . P C 1 O3M O 0.3204(14) -0.2981(9) 0.4679(7) 0.074(4) Uani 0.45 1 d . . P C 1 O3N O 0.3377(10) -0.4898(9) 0.4346(4) 0.040(2) Uani 0.45 1 d . . P C 1 O3O O 0.5017(10) -0.3359(10) 0.4629(7) 0.045(5) Uani 0.45 1 d . . P C 1 C3HA C 0.3182(9) -0.3509(9) 0.2542(3) 0.0325(19) Uani 0.55 1 d . . P C 2 H3H3 H 0.2475 -0.3952 0.2607 0.039 Uiso 0.55 1 calc R U P C 2 H3H4 H 0.3221 -0.2713 0.2705 0.039 Uiso 0.55 1 calc R U P C 2 C3IA C 0.4166(13) -0.3939(10) 0.2785(5) 0.045(3) Uani 0.55 1 d . . P C 2 H3I3 H 0.4864 -0.3544 0.2687 0.054 Uiso 0.55 1 calc R U P C 2 H3I4 H 0.4087 -0.4751 0.2641 0.054 Uiso 0.55 1 calc R U P C 2 C3JA C 0.4284(15) -0.3770(12) 0.3409(4) 0.104(5) Uani 0.55 1 d . . P C 2 H3J3 H 0.4473 -0.2952 0.3551 0.125 Uiso 0.55 1 calc R U P C 2 H3J4 H 0.354 -0.4054 0.3503 0.125 Uiso 0.55 1 calc R U P C 2 C3KA C 0.5059(17) -0.4276(14) 0.3654(6) 0.065(4) Uani 0.55 1 d . . P C 2 H3K3 H 0.5817 -0.3861 0.3634 0.078 Uiso 0.55 1 calc R U P C 2 H3K4 H 0.4992 -0.5047 0.3453 0.078 Uiso 0.55 1 calc R U P C 2 S3LA S 0.4992(5) -0.4378(3) 0.43066(13) 0.0745(15) Uani 0.55 1 d . . P C 2 O3MA O 0.496(2) -0.3320(16) 0.4611(5) 0.105(9) Uani 0.55 1 d . . P C 2 O3NA O 0.4019(16) -0.5192(11) 0.4334(6) 0.091(6) Uani 0.55 1 d . . P C 2 O3OA O 0.6036(17) -0.4826(12) 0.4494(6) 0.099(5) Uani 0.55 1 d . . P C 2 C3P C 0.0920(5) -0.7482(3) 0.0530(2) 0.0311(10) Uani 1 1 d . . . . . H3P1 H 0.0147 -0.7685 0.0599 0.047 Uiso 1 1 d R U . . . H3P2 H 0.1326 -0.8102 0.0572 0.047 Uiso 1 1 d R U . . . H3P3 H 0.0905 -0.7338 0.017 0.047 Uiso 1 1 d R U . . . C3Q C 0.4512(4) -0.4840(3) 0.1406(2) 0.0259(9) Uani 1 1 d . . . . . H3Q1 H 0.4818 -0.5477 0.1229 0.031 Uiso 1 1 calc R U . . . H3Q2 H 0.4826 -0.4702 0.1784 0.031 Uiso 1 1 calc R U . . . C4A C 0.4874(4) -0.2776(4) 0.04490(19) 0.0273(9) Uani 1 1 d . . . . . C4B C 0.4520(4) -0.3723(4) 0.06645(19) 0.0272(9) Uani 1 1 d . . . . . H4B H 0.4006 -0.4339 0.0451 0.033 Uiso 1 1 calc R U . . . C4C C 0.4894(4) -0.3796(3) 0.11791(18) 0.0238(8) Uani 1 1 d . . . . . C4D C 0.5649(4) -0.2878(3) 0.14842(17) 0.0225(8) Uani 1 1 d . . . . . C4E C 0.5985(4) -0.1887(4) 0.12949(19) 0.0258(8) Uani 1 1 d . . . . . C4F C 0.5584(4) -0.1860(4) 0.07756(19) 0.0267(8) Uani 1 1 d . . . . . H4F H 0.5801 -0.1196 0.0639 0.032 Uiso 1 1 calc R U . . . O4G O 0.6103(3) -0.2950(3) 0.19925(13) 0.0249(6) Uani 1 1 d . . . . . C4H C 0.7142(5) -0.3380(5) 0.1997(2) 0.0394(13) Uani 0.6 1 d . . P D 1 H4H1 H 0.7724 -0.2823 0.1897 0.047 Uiso 0.6 1 calc R U P D 1 H4H2 H 0.7023 -0.4081 0.1734 0.047 Uiso 0.6 1 calc R U P D 1 C4I C 0.7556(9) -0.3620(7) 0.2521(3) 0.0276(17) Uani 0.6 1 d . . P D 1 H4I1 H 0.8297 -0.3854 0.2509 0.033 Uiso 0.6 1 calc R U P D 1 H4I2 H 0.7027 -0.4262 0.2592 0.033 Uiso 0.6 1 calc R U P D 1 C4J C 0.7681(7) -0.2634(8) 0.2976(3) 0.060(2) Uani 0.6 1 d . . P D 1 H4J1 H 0.6981 -0.2315 0.2973 0.072 Uiso 0.6 1 calc R U P D 1 H4J2 H 0.8314 -0.2032 0.2955 0.072 Uiso 0.6 1 calc R U P D 1 C4K C 0.7921(13) -0.3140(11) 0.3481(5) 0.058(3) Uani 0.6 1 d . . P D 1 H4K1 H 0.8613 -0.3467 0.3463 0.07 Uiso 0.6 1 calc R U P D 1 H4K2 H 0.7293 -0.3767 0.3476 0.07 Uiso 0.6 1 calc R U P D 1 S4L S 0.8093(3) -0.2213(2) 0.40901(9) 0.0450(6) Uani 0.6 1 d . . P D 1 O4M O 0.9142(12) -0.1352(10) 0.4121(6) 0.082(4) Uani 0.6 1 d . . P D 1 O4N O 0.8317(12) -0.2891(9) 0.4476(5) 0.081(4) Uani 0.6 1 d . . P D 1 C4HA C 0.7142(5) -0.3380(5) 0.1997(2) 0.0394(13) Uani 0.4 1 d . . P D 2 H4H3 H 0.6981 -0.42 0.1858 0.047 Uiso 0.4 1 calc R U P D 2 H4H4 H 0.7624 -0.3005 0.1773 0.047 Uiso 0.4 1 calc R U P D 2 C4IA C 0.766(4) -0.319(3) 0.2479(13) 0.123(18) Uani 0.4 1 d . . P D 2 H4I3 H 0.8448 -0.2931 0.2425 0.147 Uiso 0.4 1 calc R U P D 2 H4I4 H 0.765 -0.3968 0.2542 0.147 Uiso 0.4 1 calc R U P D 2 C4JA C 0.7681(7) -0.2634(8) 0.2976(3) 0.060(2) Uani 0.4 1 d . . P D 2 H4J3 H 0.6976 -0.297 0.3089 0.072 Uiso 0.4 1 calc R U P D 2 H4J4 H 0.7605 -0.1853 0.2942 0.072 Uiso 0.4 1 calc R U P D 2 C4KA C 0.8566(10) -0.2532(9) 0.3420(4) 0.024(2) Uani 0.4 1 d . . P D 2 H4K3 H 0.9304 -0.2342 0.3301 0.029 Uiso 0.4 1 calc R U P D 2 H4K4 H 0.8532 -0.3276 0.3528 0.029 Uiso 0.4 1 calc R U P D 2 S4LA S 0.8512(4) -0.1549(3) 0.39603(16) 0.0398(8) Uani 0.4 1 d . . P D 2 O4MA O 0.9432(11) -0.1602(11) 0.4393(4) 0.050(4) Uani 0.4 1 d . . P D 2 O4NA O 0.8562(11) -0.0461(10) 0.3773(6) 0.055(3) Uani 0.4 1 d . . P D 2 O4O O 0.7209(7) -0.1800(6) 0.4129(2) 0.078(2) Uani 1 1 d . . . . . C4P C 0.4502(6) -0.2749(5) -0.0122(2) 0.0370(11) Uani 1 1 d . . . . . H4P1 H 0.4976 -0.3141 -0.0338 0.056 Uiso 1 1 d R U . . . H4P2 H 0.4576 -0.1966 -0.0174 0.056 Uiso 1 1 d R U . . . H4P3 H 0.3713 -0.3125 -0.0224 0.056 Uiso 1 1 d R U . . . C4Q C 0.6767(4) -0.0889(3) 0.1647(2) 0.0265(9) Uani 1 1 d . . . . . H4Q1 H 0.677 -0.0989 0.2016 0.032 Uiso 1 1 calc R U . . . H4Q2 H 0.7543 -0.0891 0.1567 0.032 Uiso 1 1 calc R U . . . C5A C 0.7071(4) 0.2155(4) 0.1465(2) 0.0293(9) Uani 1 1 d . . . . . C5B C 0.7286(4) 0.1097(4) 0.14983(19) 0.0271(9) Uani 1 1 d . . . . . H5B H 0.8013 0.0939 0.1454 0.032 Uiso 1 1 calc R U . . . C5C C 0.6466(4) 0.0240(3) 0.15963(17) 0.0232(8) Uani 1 1 d . . . . . C5D C 0.5404(4) 0.0475(3) 0.16547(16) 0.0207(7) Uani 1 1 d . . . . . C5E C 0.5133(4) 0.1535(3) 0.16052(17) 0.0239(8) Uani 1 1 d . . . . . C5F C 0.5994(5) 0.2363(4) 0.1514(2) 0.0291(9) Uani 1 1 d . . . . . H5F H 0.5834 0.3088 0.1485 0.035 Uiso 1 1 calc R U . . . O5G O 0.4595(3) -0.0386(2) 0.17349(13) 0.0255(6) Uani 1 1 d . . . . . C5H C 0.4231(5) -0.0292(4) 0.2241(2) 0.0305(9) Uani 1 1 d . . . . . H5H1 H 0.3655 -0.0959 0.2244 0.037 Uiso 1 1 calc R U . . . H5H2 H 0.3875 0.0383 0.2302 0.037 Uiso 1 1 calc R U . . . C5I C 0.5200(6) -0.0201(7) 0.2683(2) 0.0453(14) Uani 1 1 d . . . . . H5I1 H 0.5809 0.0426 0.2664 0.054 Uiso 1 1 calc R U . . . H5I2 H 0.5511 -0.0906 0.2644 0.054 Uiso 1 1 calc R U . . . C5J C 0.4790(6) 0.0007(6) 0.3221(2) 0.0444(13) Uani 1 1 d . . . . . H5J1 H 0.44 0.0661 0.3243 0.053 Uiso 1 1 calc R U . . . H5J2 H 0.4245 -0.066 0.3256 0.053 Uiso 1 1 calc R U . . . C5K C 0.5781(7) 0.0230(7) 0.3663(3) 0.0544(18) Uani 1 1 d . . . . . H5K1 H 0.6262 0.0959 0.3655 0.065 Uiso 1 1 calc R U . . . H5K2 H 0.6241 -0.0366 0.3602 0.065 Uiso 1 1 calc R U . . . S5L S 0.5368(2) 0.02660(16) 0.42919(7) 0.0676(7) Uani 1 1 d . . . . . O5M O 0.4700(9) -0.0834(5) 0.4274(2) 0.099(3) Uani 1 1 d . . . . . O5N O 0.4760(6) 0.1185(5) 0.4392(2) 0.0650(17) Uani 1 1 d . . . . . O5O O 0.6399(8) 0.0420(5) 0.4653(2) 0.086(2) Uani 1 1 d . . . . . C5P C 0.7962(6) 0.3078(5) 0.1368(3) 0.0419(13) Uani 1 1 d . . . . . H5P1 H 0.8713 0.2918 0.1475 0.063 Uiso 1 1 d R U . . . H5P2 H 0.7883 0.3798 0.1572 0.063 Uiso 1 1 d R U . . . H5P3 H 0.7865 0.312 0.0994 0.063 Uiso 1 1 d R U . . . C5Q C 0.3983(4) 0.1834(3) 0.16463(19) 0.0246(8) Uani 1 1 d . . . . . H5Q1 H 0.3987 0.2599 0.1566 0.03 Uiso 1 1 calc R U . . . H5Q2 H 0.3843 0.1858 0.2013 0.03 Uiso 1 1 calc R U . . . Na1 Na 0.3776(4) 0.1540(3) 0.51735(11) 0.0744(12) Uani 1 1 d . . . . . Na2 Na 1 0 0.5 0.087(2) Uani 1 2 d S . P . . Na3 Na 0.3043(7) 0.4042(5) 0.5087(3) 0.0595(17) Uani 0.5 1 d . . P E 1 Na3A Na 0.2254(7) 0.4175(5) 0.4947(3) 0.0630(17) Uani 0.5 1 d . . P E 2 Na4 Na 0.3610(6) -0.2017(5) 0.4635(2) 0.0566(15) Uani 0.5 1 d . . P . . Na5 Na 0.7375(7) 0.1278(4) 0.5414(3) 0.073(2) Uani 0.5 1 d . . P . . Na6 Na -0.0198(17) 0.6516(13) 0.4729(6) 0.144(7) Uani 0.5 1 d . . P B 1 Na6A Na 0.0528(12) 0.6937(11) 0.4710(3) 0.108(5) Uani 0.5 1 d . . P B 2 Na7 Na -0.2028(17) 0.3426(14) 0.3692(14) 0.252(15) Uani 0.5 1 d . . P . . C1M1 C 0.1056(9) -0.3872(9) 0.0204(4) 0.050(2) Uani 0.725 1 d . . P F 1 H1M1 H 0.1387 -0.4347 0.0427 0.075 Uiso 0.725 1 d R U P F 1 H2M1 H 0.0621 -0.4346 -0.0117 0.075 Uiso 0.725 1 d R U P F 1 H3M1 H 0.0556 -0.3458 0.0393 0.075 Uiso 0.725 1 d R U P F 1 O1M1 O 0.1886(8) -0.3136(7) 0.0079(3) 0.0611(18) Uani 0.725 1 d . . P F 1 H4M1 H 0.2411 -0.2934 0.0334 0.092 Uiso 0.725 1 d R U P F 1 C2M2 C 0.160(2) -0.335(2) 0.0414(9) 0.045(5) Uiso 0.275 1 d . . P G 2 H1M2 H 0.2402 -0.338 0.0517 0.067 Uiso 0.275 1 d R U P G 2 H2M2 H 0.1136 -0.3909 0.0566 0.067 Uiso 0.275 1 d R U P G 2 H3M2 H 0.1462 -0.26 0.0543 0.067 Uiso 0.275 1 d R U P G 2 O2M2 O 0.132(3) -0.362(2) -0.0153(11) 0.080(7) Uiso 0.275 1 d . . P G 2 H4M2 H 0.1548 -0.3042 -0.0288 0.119 Uiso 0.275 1 d R U P G 2 C3M3 C 0.4360(10) -0.6789(8) 0.3933(5) 0.062(3) Uani 0.75 1 d D . P . . H1M3 H 0.482 -0.6247 0.3771 0.093 Uiso 0.75 1 d R U P . . H2M3 H 0.3683 -0.65 0.4017 0.093 Uiso 0.75 1 d R U P . . H3M3 H 0.4138 -0.7509 0.3689 0.093 Uiso 0.75 1 d R U P . . O3M3 O 0.4921(7) -0.6934(5) 0.4354(3) 0.0550(18) Uani 0.75 1 d D . P . . H4M3 H 0.5603 -0.6882 0.4318 0.082 Uiso 0.75 1 d R U P . . O4M4 O -0.1217(16) 0.1454(14) 0.3340(6) 0.085(4) Uiso 0.5 1 d D . P B 1 H4M4 H -0.1869 0.1536 0.3395 0.127 Uiso 0.5 1 d R U P B 1 C4M4 C -0.154(2) 0.1158(19) 0.2783(7) 0.076(5) Uiso 0.5 1 d D . P B 1 H1M4 H -0.1474 0.1865 0.2647 0.114 Uiso 0.5 1 d R U P B 1 H2M4 H -0.2243 0.0656 0.2608 0.114 Uiso 0.5 1 d R U P B 1 H3M4 H -0.0898 0.0796 0.2715 0.114 Uiso 0.5 1 d R U P B 1 O5M5 O -0.1804(16) 0.2053(16) 0.3570(7) 0.097(5) Uiso 0.5 1 d . . P B 2 H4M5 H -0.1447 0.2643 0.3769 0.146 Uiso 0.5 1 d R U P B 2 C5M5 C -0.170(3) 0.132(3) 0.3133(13) 0.100(8) Uiso 0.5 1 d . . P B 2 H1M5 H -0.1575 0.0604 0.323 0.15 Uiso 0.5 1 calc R U P B 2 H2M5 H -0.2384 0.1198 0.2877 0.15 Uiso 0.5 1 calc R U P B 2 H3M5 H -0.1051 0.1642 0.2978 0.15 Uiso 0.5 1 calc R U P B 2 O6M6 O -0.4294(12) 0.2997(11) 0.3556(5) 0.067(3) Uiso 0.5 1 d . . P B 2 C6M6 C -0.401(2) 0.3417(19) 0.2887(9) 0.075(5) Uiso 0.5 1 d . . P B 2 O1W O 0.2777(6) -0.2143(5) 0.1124(3) 0.0528(15) Uani 0.8 1 d . . P H 2 O3W O 0.1173(14) 0.4078(8) 0.4688(4) 0.064(3) Uani 0.5 1 d . . P E 2 O4W O -0.0273(19) 0.6375(13) 0.5341(9) 0.113(7) Uani 0.5 1 d . . P B 2 O5W O -0.0874(17) 0.1350(12) 0.4700(5) 0.075(4) Uani 0.5 1 d . . P I 2 O6W O 0.8497(12) 0.0993(18) 0.4555(8) 0.087(6) Uani 0.5 1 d . . P D 2 O7W O 0.8099(13) 0.1965(9) 0.5893(5) 0.068(3) Uani 0.5 1 d . . P D 2 O8W O 0.9021(13) 0.2333(8) 0.5885(5) 0.067(4) Uani 0.5 1 d . . P D 2 O9W O 0.657(2) -0.5664(11) 0.4285(7) 0.115(7) Uani 0.5 1 d . . P C 2 O10W O 0.7608(19) 0.3332(18) 0.5031(10) 0.156(12) Uani 0.5 1 d . . P D 2 O11W O 0.8405(14) 0.4041(10) 0.4818(7) 0.084(4) Uani 0.5 1 d . . P D 2 O12W O -0.0844(12) 0.2623(9) 0.4395(6) 0.074(4) Uani 0.5 1 d . . P B 2 O14W O -0.327(3) 0.424(3) 0.3217(15) 0.117(11) Uiso 0.3 1 d . . P B 2 O15W O -0.466(2) 0.287(2) 0.3010(10) 0.102(7) Uiso 0.4 1 d . . P B 2 O16W O -0.314(6) 0.342(6) 0.332(3) 0.14(2) Uiso 0.2 1 d . . P B 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1A 0.027(2) 0.0160(15) 0.031(2) 0.0024(13) 0.0058(15) 0.0053(14) C1B 0.029(3) 0.0181(16) 0.034(2) 0.0060(14) 0.0080(16) 0.0026(15) C1C 0.020(2) 0.0118(14) 0.036(2) 0.0046(13) 0.0049(15) 0.0064(13) C1D 0.023(2) 0.0139(15) 0.032(2) 0.0028(13) 0.0057(15) 0.0062(14) C1E 0.020(2) 0.0135(14) 0.037(2) 0.0023(13) 0.0062(15) 0.0075(14) C1F 0.023(2) 0.0114(14) 0.037(2) 0.0004(13) 0.0043(15) 0.0072(14) O1G 0.0279(18) 0.0150(12) 0.0318(15) 0.0016(10) 0.0051(12) 0.0095(11) C1H 0.032(3) 0.0157(16) 0.036(2) 0.0021(14) 0.0085(17) 0.0108(16) C1I 0.039(3) 0.0235(19) 0.035(2) 0.0048(16) 0.0094(19) 0.0076(18) C1J 0.051(4) 0.033(2) 0.040(3) 0.0065(19) 0.013(2) 0.026(2) C1K 0.069(5) 0.058(4) 0.040(3) 0.003(3) 0.011(3) 0.046(4) S1L 0.061(3) 0.0440(18) 0.0481(9) 0.0026(13) 0.0190(13) 0.0319(14) O1M 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) O1N 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) O1O 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) S1LA 0.061(3) 0.0440(18) 0.0481(9) 0.0026(13) 0.0190(13) 0.0319(14) O1MA 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) O1NA 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) O1OA 0.074(4) 0.042(2) 0.075(3) 0.010(2) 0.025(3) 0.034(2) C1P 0.039(3) 0.032(2) 0.032(2) -0.0031(17) 0.0081(19) 0.003(2) C1Q 0.019(2) 0.0127(15) 0.046(2) 0.0022(14) 0.0112(17) 0.0063(14) C2A 0.015(2) 0.0183(16) 0.035(2) -0.0005(14) 0.0067(15) 0.0008(13) C2B 0.025(2) 0.0183(16) 0.032(2) 0.0022(14) 0.0056(15) 0.0050(15) C2C 0.021(2) 0.0115(14) 0.036(2) 0.0016(13) 0.0069(15) 0.0046(13) C2D 0.021(2) 0.0151(15) 0.0292(19) -0.0020(13) 0.0055(14) 0.0011(13) C2E 0.020(2) 0.0151(15) 0.0314(19) 0.0009(13) 0.0077(14) 0.0032(13) C2F 0.022(2) 0.0153(15) 0.037(2) -0.0002(14) 0.0074(16) 0.0030(14) O2G 0.0165(17) 0.0222(13) 0.0336(16) -0.0041(11) 0.0051(11) -0.0004(11) C2H 0.021(2) 0.0270(19) 0.034(2) -0.0061(16) 0.0067(16) 0.0019(16) C2I 0.029(3) 0.0215(18) 0.035(2) 0.0002(15) 0.0034(17) 0.0019(16) C2J 0.039(3) 0.027(2) 0.032(2) -0.0018(16) 0.0044(19) 0.0069(19) C2K 0.052(4) 0.029(2) 0.031(2) -0.0031(17) 0.002(2) 0.004(2) S2L 0.0949(15) 0.0312(6) 0.0303(6) -0.0026(5) 0.0016(7) 0.0277(8) O2M 0.129(6) 0.077(4) 0.056(3) -0.003(3) 0.014(3) 0.076(4) O2N 0.151(7) 0.034(2) 0.043(3) -0.0099(19) -0.019(3) 0.007(3) O2O 0.098(5) 0.043(2) 0.036(2) 0.0081(18) 0.013(2) 0.018(3) C2P 0.021(3) 0.0238(19) 0.043(3) -0.0015(17) -0.0005(18) 0.0015(16) C2Q 0.031(3) 0.0172(16) 0.0302(19) 0.0024(13) 0.0083(16) 0.0088(15) C3A 0.031(3) 0.0112(14) 0.036(2) 0.0044(13) 0.0067(17) 0.0034(14) C3B 0.018(2) 0.0132(15) 0.042(2) 0.0073(14) 0.0071(15) 0.0042(13) C3C 0.020(2) 0.0145(15) 0.035(2) 0.0068(13) 0.0065(15) 0.0058(13) C3D 0.020(2) 0.0157(15) 0.033(2) 0.0035(13) 0.0036(15) 0.0028(13) C3E 0.020(2) 0.0166(16) 0.038(2) 0.0073(14) 0.0033(15) 0.0045(14) C3F 0.030(3) 0.0137(15) 0.038(2) 0.0056(14) 0.0071(17) 0.0103(15) O3G 0.026(2) 0.0312(17) 0.0382(19) -0.0071(13) 0.0021(14) -0.0011(14) C3H 0.066(9) 0.021(5) 0.039(6) -0.003(4) -0.011(6) 0.024(6) C3I 0.096(19) 0.12(2) 0.031(7) -0.005(9) 0.006(8) -0.066(16) C3J 0.160(14) 0.111(9) 0.046(5) 0.009(5) 0.015(6) 0.048(9) C3K 0.037(9) 0.075(11) 0.056(9) 0.005(8) -0.005(7) -0.001(7) S3L 0.061(3) 0.0343(14) 0.0408(16) 0.0102(12) -0.0075(15) -0.0085(14) O3M 0.084(11) 0.023(4) 0.111(11) 0.012(5) -0.007(8) 0.009(5) O3N 0.036(6) 0.032(5) 0.049(5) 0.000(4) 0.008(4) -0.001(4) O3O 0.008(5) 0.021(5) 0.104(13) -0.002(5) 0.011(5) 0.002(4) C3HA 0.030(5) 0.035(5) 0.029(4) -0.004(3) 0.002(3) 0.004(4) C3IA 0.060(8) 0.036(5) 0.034(5) 0.005(4) 0.005(5) -0.005(5) C3JA 0.160(14) 0.111(9) 0.046(5) 0.009(5) 0.015(6) 0.048(9) C3KA 0.083(12) 0.059(8) 0.054(7) 0.006(6) 0.000(7) 0.028(8) S3LA 0.135(4) 0.0354(14) 0.0350(14) 0.0002(11) -0.0045(18) -0.0179(19) O3MA 0.17(2) 0.085(12) 0.019(5) -0.010(5) -0.023(7) -0.033(11) O3NA 0.118(14) 0.050(7) 0.084(9) 0.027(6) -0.038(9) -0.027(7) O3OA 0.146(15) 0.060(7) 0.080(9) 0.009(6) -0.012(9) 0.008(8) C3P 0.029(3) 0.0120(15) 0.050(3) -0.0014(15) 0.0052(19) 0.0040(15) C3Q 0.020(2) 0.0138(15) 0.046(2) 0.0076(14) 0.0028(16) 0.0075(14) C4A 0.023(2) 0.0240(18) 0.034(2) 0.0028(15) 0.0043(16) 0.0051(16) C4B 0.022(2) 0.0223(18) 0.034(2) 0.0003(15) 0.0021(16) 0.0010(15) C4C 0.018(2) 0.0154(15) 0.037(2) -0.0001(14) 0.0050(15) 0.0046(14) C4D 0.017(2) 0.0177(16) 0.033(2) 0.0003(13) 0.0069(14) 0.0057(14) C4E 0.019(2) 0.0207(17) 0.038(2) 0.0009(15) 0.0097(16) 0.0023(15) C4F 0.023(2) 0.0197(17) 0.038(2) 0.0048(15) 0.0095(16) 0.0044(15) O4G 0.0202(17) 0.0191(13) 0.0355(16) 0.0025(11) 0.0023(12) 0.0079(11) C4H 0.037(3) 0.038(3) 0.043(3) -0.003(2) -0.003(2) 0.023(2) C4I 0.045(5) 0.019(3) 0.020(3) 0.004(3) -0.004(3) 0.018(3) C4J 0.052(4) 0.078(5) 0.044(3) -0.018(3) -0.012(3) 0.039(4) C4K 0.058(9) 0.052(6) 0.055(7) -0.013(5) 0.003(5) 0.014(6) S4L 0.0680(19) 0.0339(11) 0.0307(10) -0.0028(8) 0.0017(10) 0.0150(11) O4M 0.062(9) 0.062(7) 0.099(10) -0.033(7) 0.014(7) -0.018(6) O4N 0.123(11) 0.053(5) 0.087(7) 0.028(5) 0.017(7) 0.057(6) C4HA 0.037(3) 0.038(3) 0.043(3) -0.003(2) -0.003(2) 0.023(2) C4IA 0.20(4) 0.12(3) 0.079(19) 0.03(2) 0.02(2) 0.14(3) C4JA 0.052(4) 0.078(5) 0.044(3) -0.018(3) -0.012(3) 0.039(4) C4KA 0.015(6) 0.026(5) 0.027(5) 0.001(4) -0.003(3) 0.000(4) S4LA 0.041(2) 0.0314(16) 0.0442(19) -0.0062(14) 0.0042(15) 0.0129(15) O4MA 0.048(7) 0.059(7) 0.031(5) -0.023(5) -0.030(5) 0.034(6) O4NA 0.045(7) 0.033(5) 0.080(9) -0.006(5) -0.007(6) 0.012(5) O4O 0.114(6) 0.070(4) 0.041(3) -0.002(2) 0.004(3) 0.011(4) C4P 0.044(3) 0.030(2) 0.036(2) 0.0057(18) 0.005(2) 0.006(2) C4Q 0.018(2) 0.0144(15) 0.045(2) -0.0008(14) 0.0038(16) 0.0053(14) C5A 0.022(3) 0.0205(18) 0.044(2) 0.0054(16) 0.0076(17) -0.0023(15) C5B 0.023(3) 0.0197(17) 0.037(2) 0.0021(15) 0.0084(16) -0.0001(15) C5C 0.023(2) 0.0159(15) 0.031(2) 0.0012(13) 0.0068(15) 0.0042(14) C5D 0.019(2) 0.0128(14) 0.0293(18) 0.0013(12) 0.0046(14) 0.0022(12) C5E 0.025(2) 0.0163(16) 0.0296(19) 0.0008(13) 0.0044(15) 0.0036(14) C5F 0.029(3) 0.0163(16) 0.041(2) 0.0052(15) 0.0053(18) 0.0001(15) O5G 0.0243(19) 0.0172(12) 0.0339(15) 0.0035(10) 0.0070(12) -0.0004(11) C5H 0.026(3) 0.031(2) 0.036(2) 0.0105(17) 0.0062(17) 0.0013(17) C5I 0.029(3) 0.071(4) 0.039(3) 0.023(3) 0.007(2) 0.003(3) C5J 0.033(3) 0.060(4) 0.039(3) 0.015(2) 0.004(2) 0.001(3) C5K 0.055(5) 0.055(4) 0.048(3) 0.023(3) -0.010(3) -0.005(3) S5L 0.1089(19) 0.0461(9) 0.0347(7) 0.0120(6) -0.0119(9) -0.0127(10) O5M 0.179(9) 0.057(3) 0.041(3) 0.007(2) 0.021(4) -0.039(4) O5N 0.088(5) 0.052(3) 0.047(3) 0.016(2) -0.008(3) -0.003(3) O5O 0.135(7) 0.052(3) 0.056(3) 0.003(2) -0.037(4) 0.020(4) C5P 0.032(3) 0.027(2) 0.066(4) 0.013(2) 0.013(2) -0.0051(19) C5Q 0.019(2) 0.0137(15) 0.041(2) 0.0007(14) 0.0040(15) 0.0065(14) Na1 0.119(3) 0.0502(16) 0.0363(13) 0.0076(11) -0.0112(16) -0.0198(18) Na2 0.088(4) 0.045(2) 0.117(4) -0.033(3) 0.057(4) -0.007(2) Na3 0.080(5) 0.036(3) 0.057(3) 0.000(2) -0.007(3) 0.015(3) Na3A 0.072(5) 0.027(2) 0.087(5) -0.001(3) 0.020(4) 0.005(3) Na4 0.072(4) 0.041(3) 0.050(3) 0.003(2) 0.006(3) -0.006(3) Na5 0.080(5) 0.024(2) 0.103(5) 0.005(3) -0.028(4) 0.012(3) Na6 0.179(16) 0.124(10) 0.100(9) 0.048(8) -0.033(9) -0.043(10) Na6A 0.158(10) 0.143(9) 0.044(3) -0.013(5) -0.005(5) 0.134(9) Na7 0.128(15) 0.101(11) 0.51(5) 0.009(18) 0.02(2) 0.041(10) C1M1 0.040(6) 0.054(5) 0.066(6) 0.017(4) 0.020(4) 0.026(4) O1M1 0.056(5) 0.060(5) 0.067(5) 0.013(4) 0.011(4) 0.009(4) C3M3 0.055(7) 0.038(4) 0.101(9) 0.026(5) 0.026(6) 0.009(4) O3M3 0.083(6) 0.032(3) 0.045(3) 0.004(2) 0.010(3) 0.001(3) O1W 0.049(4) 0.031(2) 0.084(4) 0.013(3) 0.017(3) 0.018(2) O3W 0.102(11) 0.030(4) 0.052(6) 0.003(4) 0.004(6) 0.001(5) O4W 0.124(17) 0.046(7) 0.17(2) -0.004(9) 0.052(14) 0.028(9) O5W 0.107(13) 0.065(8) 0.052(7) -0.007(5) 0.007(8) 0.030(8) O6W 0.037(8) 0.138(15) 0.104(12) 0.078(11) 0.005(7) 0.013(8) O7W 0.079(9) 0.038(5) 0.088(8) 0.009(5) -0.008(7) 0.030(6) O8W 0.092(10) 0.030(4) 0.068(7) -0.005(4) -0.017(6) 0.015(5) O9W 0.20(2) 0.036(6) 0.098(11) -0.002(6) -0.029(12) 0.033(9) O10W 0.117(16) 0.123(15) 0.20(2) 0.113(16) -0.059(15) -0.082(13) O11W 0.087(11) 0.044(6) 0.123(12) 0.003(6) 0.016(9) 0.031(6) O12W 0.077(9) 0.040(5) 0.110(10) 0.008(6) 0.009(7) 0.032(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0031 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0109 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Na Na 0.0368 0.025 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.125 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 C1F C1A C1B 119.0(4) . . C1F C1A C1P 120.9(4) . . C1B C1A C1P 120.2(5) . . C1A C1B C1C 120.6(4) . . C1D C1C C1B 118.9(4) . . C1D C1C C5Q 120.7(4) . . C1B C1C C5Q 120.3(4) . . C1C C1D C1E 122.1(4) . . C1C C1D O1G 118.9(4) . . C1E C1D O1G 119.1(4) . . C1D C1E C1F 117.5(4) . . C1D C1E C1Q 121.7(4) . . C1F C1E C1Q 120.8(4) . . C1A C1F C1E 121.9(4) . . C1D O1G C1H 113.5(3) . . O1G C1H C1I 106.5(4) . . C1H C1I C1J 111.9(4) . . C1K C1J C1I 110.3(4) . . C1J C1K S1LA 111.1(5) . . C1J C1K S1L 109.9(4) . . O1N S1L O1M 111.3(6) . . O1N S1L O1O 111.2(6) . . O1M S1L O1O 114.0(6) . . O1N S1L C1K 112.4(5) . . O1M S1L C1K 103.8(4) . . O1O S1L C1K 103.6(4) . . S1L O1M Na7 108.2(7) . . S1L O1O Na6 143.1(7) . . O1OA S1LA O1MA 105.0(12) . . O1OA S1LA O1NA 110.3(11) . . O1MA S1LA O1NA 119.2(12) . . O1OA S1LA C1K 112.7(8) . . O1MA S1LA C1K 110.4(7) . . O1NA S1LA C1K 99.5(8) . . O1OA S1LA Na7 64.6(11) . . O1MA S1LA Na7 44.4(10) . . O1NA S1LA Na7 150.6(9) . . C1K S1LA Na7 109.1(5) . . S1LA O1MA Na7 107.1(13) . . S1LA O1OA Na7 86.6(13) . . S1LA O1OA Na6A 126.1(11) . . Na7 O1OA Na6A 137.4(10) . . C1E C1Q C2C 113.6(3) . . C2F C2A C2B 117.9(4) . . C2F C2A C2P 121.3(4) . . C2B C2A C2P 120.8(4) . . C2C C2B C2A 121.0(4) . . C2D C2C C2B 119.2(4) . . C2D C2C C1Q 120.6(4) . . C2B C2C C1Q 120.2(4) . . C2C C2D O2G 118.9(4) . . C2C C2D C2E 121.9(4) . . O2G C2D C2E 119.2(4) . . C2D C2E C2F 117.1(4) . . C2D C2E C2Q 121.2(4) . . C2F C2E C2Q 121.7(4) . . C2A C2F C2E 122.8(4) . . C2D O2G C2H 110.8(4) . . O2G C2H C2I 107.8(4) . . C2H C2I C2J 111.4(4) . . C2K C2J C2I 110.0(5) . . C2J C2K S2L 112.9(5) . . O2M S2L O2O 115.0(5) . . O2M S2L O2N 109.5(4) . . O2O S2L O2N 112.0(4) . . O2M S2L C2K 106.3(3) . . O2O S2L C2K 106.6(3) . . O2N S2L C2K 107.0(4) . . O2M S2L Na1 143.2(3) . . O2O S2L Na1 64.0(3) . . O2N S2L Na1 49.6(3) . . C2K S2L Na1 109.0(2) . . S2L O2N Na3 143.0(6) . . S2L O2N Na1 102.9(3) . . Na3 O2N Na1 90.4(3) . . S2L O2N Na3A 121.5(5) . . Na1 O2N Na3A 110.1(3) . . S2L O2O Na2 121.3(4) . 1_455 S2L O2O Na5 132.3(4) . 2_656 Na2 O2O Na5 102.8(3) 1_455 2_656 S2L O2O Na1 88.2(3) . . Na2 O2O Na1 122.8(2) 1_455 . Na5 O2O Na1 82.2(3) 2_656 . C3C C2Q C2E 114.2(4) . . C3F C3A C3B 118.1(4) . . C3F C3A C3P 121.4(4) . . C3B C3A C3P 120.5(5) . . C3A C3B C3C 122.4(4) . . C3D C3C C3B 117.3(4) . . C3D C3C C2Q 123.0(4) . . C3B C3C C2Q 119.7(4) . . O3G C3D C3E 117.8(4) . . O3G C3D C3C 120.2(4) . . C3E C3D C3C 121.9(4) . . C3D C3E C3F 117.7(4) . . C3D C3E C3Q 121.8(4) . . C3F C3E C3Q 120.6(4) . . C3A C3F C3E 122.6(4) . . C3D O3G C3HA 121.9(6) . . C3D O3G C3H 103.0(6) . . C3I C3H O3G 109.5(14) . . C3H C3I C3J 104.3(17) . . C3K C3J C3I 116.2(19) . . C3J C3K S3L 123.1(15) . . C3J C3K Na4 150.8(14) . . S3L C3K Na4 55.8(5) . . O3N S3L O3O 118.8(8) . . O3N S3L O3M 113.8(8) . . O3O S3L O3M 107.1(8) . . O3N S3L C3K 107.4(8) . . O3O S3L C3K 106.4(10) . . O3M S3L C3K 101.9(9) . . O3N S3L Na4 146.0(6) . . O3O S3L Na4 87.5(5) . . O3M S3L Na4 33.0(6) . . C3K S3L Na4 82.6(7) . . Na4 O3M S3L 106.8(13) . . Na4 O3M Na5 40.5(6) . 2_656 S3L O3M Na5 136.8(10) . 2_656 S3L O3N Na3 125.8(6) . 1_545 S3L O3O Na1 133.0(7) . 2_656 S3L O3O Na4 58.2(4) . . Na1 O3O Na4 77.4(4) 2_656 . S3L O3O Na3 144.3(7) . 2_656 Na1 O3O Na3 82.2(4) 2_656 2_656 Na4 O3O Na3 156.4(6) . 2_656 O3G C3HA C3IA 110.7(9) . . C3HA C3IA C3JA 113.1(11) . . C3KA C3JA C3IA 116.7(13) . . C3JA C3KA S3LA 117.5(13) . . O3MA S3LA O3NA 111.1(13) . . O3MA S3LA O3OA 111.1(10) . . O3NA S3LA O3OA 108.2(9) . . O3MA S3LA C3KA 111.4(9) . . O3NA S3LA C3KA 109.2(9) . . O3OA S3LA C3KA 105.7(9) . . S3LA O3MA Na1 134.5(15) . 2_656 S3LA O3MA Na4 134.8(11) . . Na1 O3MA Na4 79.2(6) 2_656 . S3LA O3NA Na3A 145.5(10) . 1_545 O9W O3OA S3LA 134.3(13) . . O9W O3OA Na3A 84.2(12) . 2_656 S3LA O3OA Na3A 138.4(8) . 2_656 C3E C3Q C4C 112.8(3) . . C4F C4A C4B 118.0(4) . . C4F C4A C4P 121.1(4) . . C4B C4A C4P 120.9(4) . . C4C C4B C4A 122.2(4) . . C4B C4C C4D 117.7(4) . . C4B C4C C3Q 121.6(4) . . C4D C4C C3Q 120.7(4) . . O4G C4D C4C 119.3(4) . . O4G C4D C4E 118.4(4) . . C4C C4D C4E 122.2(4) . . C4F C4E C4D 117.6(4) . . C4F C4E C4Q 121.8(4) . . C4D C4E C4Q 120.6(4) . . C4E C4F C4A 122.1(4) . . C4D O4G C4HA 111.2(4) . . C4D O4G C4H 111.2(4) . . O4G C4H C4I 112.1(6) . . C4H C4I C4J 114.9(6) . . C4I C4J C4K 105.2(7) . . C4J C4K S4L 117.0(8) . . O4O S4L O4N 113.1(6) . . O4O S4L O4M 114.2(7) . . O4N S4L O4M 107.3(9) . . O4O S4L C4K 109.5(6) . . O4N S4L C4K 104.8(7) . . O4M S4L C4K 107.4(7) . . O4O S4L Na6 141.1(5) . 1_645 O4N S4L Na6 29.6(7) . 1_645 O4M S4L Na6 83.2(8) . 1_645 C4K S4L Na6 96.5(6) . 1_645 O4O S4L Na1 32.6(3) . 2_656 O4N S4L Na1 82.1(5) . 2_656 O4M S4L Na1 117.4(5) . 2_656 C4K S4L Na1 130.2(5) . 2_656 Na6 S4L Na1 108.6(4) 1_645 2_656 S4L O4M Na2 120.4(8) . . S4L O4N Na6 130.9(10) . 1_645 S4L O4N Na3 129.0(8) . 2_656 Na6 O4N Na3 99.1(6) 1_645 2_656 C4IA C4HA O4G 108.8(16) . . C4HA C4IA C4JA 145(2) . . C4IA C4JA C4KA 126.2(17) . . C4JA C4KA S4LA 115.8(8) . . O4NA S4LA O4MA 116.2(8) . . O4NA S4LA O4O 103.8(7) . . O4MA S4LA O4O 113.1(7) . . O4NA S4LA C4KA 105.6(7) . . O4MA S4LA C4KA 109.2(6) . . O4O S4LA C4KA 108.4(5) . . O4NA S4LA Na2 83.2(5) . . O4MA S4LA Na2 39.7(4) . . O4O S4LA Na2 103.4(3) . . C4KA S4LA Na2 143.5(4) . . S4LA O4MA Na2 115.2(6) . . S4LA O4MA Na6A 138.5(7) . 1_645 Na2 O4MA Na6A 106.2(4) . 1_645 S4L O4O Na1 130.2(4) . 2_656 S4LA O4O Na1 142.8(4) . 2_656 C5C C4Q C4E 114.9(4) . . C5B C5A C5F 118.3(4) . . C5B C5A C5P 121.8(5) . . C5F C5A C5P 119.8(5) . . C5A C5B C5C 122.1(5) . . C5D C5C C5B 118.5(4) . . C5D C5C C4Q 122.0(4) . . C5B C5C C4Q 119.5(4) . . O5G C5D C5C 117.8(3) . . O5G C5D C5E 120.7(4) . . C5C C5D C5E 121.4(4) . . C5F C5E C5D 117.5(4) . . C5F C5E C5Q 118.5(4) . . C5D C5E C5Q 124.1(4) . . C5A C5F C5E 122.2(4) . . C5D O5G C5H 117.6(3) . . O5G C5H C5I 112.4(5) . . C5H C5I C5J 110.5(5) . . C5K C5J C5I 110.4(6) . . C5J C5K S5L 113.3(6) . . O5O S5L O5N 112.5(4) . . O5O S5L O5M 110.2(5) . . O5N S5L O5M 114.0(5) . . O5O S5L C5K 105.6(5) . . O5N S5L C5K 108.6(4) . . O5M S5L C5K 105.3(4) . . O5O S5L Na1 54.2(3) . 2_656 O5N S5L Na1 140.4(3) . 2_656 O5M S5L Na1 56.6(4) . 2_656 C5K S5L Na1 111.0(3) . 2_656 O5O S5L Na4 47.0(3) . 2_656 O5N S5L Na4 66.2(3) . 2_656 O5M S5L Na4 123.6(3) . 2_656 C5K S5L Na4 128.9(3) . 2_656 Na1 S5L Na4 87.12(14) 2_656 2_656 S5L O5M Na4 150.7(5) . . S5L O5M Na1 95.1(5) . 2_656 Na4 O5M Na1 81.1(3) . 2_656 S5L O5M Na5 126.6(6) . 2_656 Na4 O5M Na5 36.0(3) . 2_656 Na1 O5M Na5 112.8(3) 2_656 2_656 S5L O5N Na1 123.8(3) . . S5L O5N Na4 87.2(3) . 2_656 Na1 O5N Na4 68.7(2) . 2_656 S5L O5O Na5 147.2(6) . . S5L O5O Na4 107.8(5) . 2_656 Na5 O5O Na4 39.8(3) . 2_656 S5L O5O Na1 97.8(4) . 2_656 Na5 O5O Na1 97.6(3) . 2_656 Na4 O5O Na1 120.9(3) 2_656 2_656 C5E C5Q C1C 114.6(3) . . O4O Na1 O3MA 97.2(5) 2_656 2_656 O4O Na1 O3O 97.0(4) 2_656 2_656 O4O Na1 O2N 101.1(3) 2_656 . O3MA Na1 O2N 87.6(5) 2_656 . O3O Na1 O2N 85.4(4) 2_656 . O4O Na1 O5O 83.5(3) 2_656 2_656 O3MA Na1 O5O 141.2(6) 2_656 2_656 O3O Na1 O5O 143.5(4) 2_656 2_656 O2N Na1 O5O 130.5(2) . 2_656 O4O Na1 O5N 177.1(3) 2_656 . O3MA Na1 O5N 85.5(5) 2_656 . O3O Na1 O5N 85.7(4) 2_656 . O2N Na1 O5N 77.8(3) . . O5O Na1 O5N 95.1(3) 2_656 . O4O Na1 O5M 91.4(3) 2_656 2_656 O3MA Na1 O5M 85.1(5) 2_656 2_656 O3O Na1 O5M 87.4(4) 2_656 2_656 O2N Na1 O5M 166.3(3) . 2_656 O5O Na1 O5M 56.1(2) 2_656 2_656 O5N Na1 O5M 89.9(3) . 2_656 O4O Na1 O2O 85.5(3) 2_656 . O3MA Na1 O2O 141.7(5) 2_656 . O3O Na1 O2O 139.4(4) 2_656 . O2N Na1 O2O 54.6(2) . . O5O Na1 O2O 77.1(2) 2_656 . O5N Na1 O2O 91.7(2) . . O5M Na1 O2O 133.2(2) 2_656 . O4O Na1 S5L 84.6(2) 2_656 2_656 O3MA Na1 S5L 113.2(5) 2_656 2_656 O3O Na1 S5L 115.5(4) 2_656 2_656 O2N Na1 S5L 157.75(18) . 2_656 O5O Na1 S5L 28.00(17) 2_656 2_656 O5N Na1 S5L 95.4(2) . 2_656 O5M Na1 S5L 28.32(15) 2_656 2_656 O2O Na1 S5L 105.11(14) . 2_656 O4O Na1 S2L 97.7(3) 2_656 . O3MA Na1 S2L 115.0(5) 2_656 . O3O Na1 S2L 112.8(4) 2_656 . O2N Na1 S2L 27.41(15) . . O5O Na1 S2L 103.22(19) 2_656 . O5N Na1 S2L 80.06(17) . . O5M Na1 S2L 156.40(19) 2_656 . O2O Na1 S2L 27.78(11) . . S5L Na1 S2L 130.95(11) 2_656 . O4O Na1 Na4 120.1(2) 2_656 2_656 O3MA Na1 Na4 51.4(6) 2_656 2_656 O3O Na1 Na4 53.4(3) 2_656 2_656 O2N Na1 Na4 122.4(3) . 2_656 O5O Na1 Na4 94.8(3) 2_656 2_656 O5N Na1 Na4 62.6(2) . 2_656 O5M Na1 Na4 44.7(2) 2_656 2_656 O2O Na1 Na4 152.6(2) . 2_656 S5L Na1 Na4 70.41(16) 2_656 2_656 S2L Na1 Na4 139.80(17) . 2_656 O4O Na1 S4L 17.2(2) 2_656 2_656 O3O Na1 S4L 96.1(3) 2_656 2_656 O2N Na1 S4L 83.9(3) . 2_656 O5O Na1 S4L 94.3(3) 2_656 2_656 O5N Na1 S4L 161.5(2) . 2_656 O5M Na1 S4L 108.5(2) 2_656 2_656 O2O Na1 S4L 74.88(17) . 2_656 S5L Na1 S4L 100.37(12) 2_656 2_656 S2L Na1 S4L 82.27(13) . 2_656 Na4 Na1 S4L 132.32(15) 2_656 2_656 O4MA Na2 O4MA 180.0(5) . 2_756 O4MA Na2 O5W 73.1(4) . 2_656 O4MA Na2 O5W 106.9(4) 2_756 2_656 O4MA Na2 O5W 106.9(4) . 1_655 O4MA Na2 O5W 73.1(4) 2_756 1_655 O5W Na2 O5W 180.0(6) 2_656 1_655 O4MA Na2 O2O 89.2(4) . 2_656 O4MA Na2 O2O 90.8(4) 2_756 2_656 O5W Na2 O2O 94.0(5) 2_656 2_656 O5W Na2 O2O 86.0(5) 1_655 2_656 O4MA Na2 O2O 90.8(4) . 1_655 O4MA Na2 O2O 89.2(4) 2_756 1_655 O5W Na2 O2O 86.0(5) 2_656 1_655 O5W Na2 O2O 94.0(5) 1_655 1_655 O2O Na2 O2O 180 2_656 1_655 O2O Na2 O4M 87.2(3) 2_656 2_756 O2O Na2 O4M 92.8(3) 1_655 2_756 O2O Na2 O4M 92.8(3) 2_656 . O2O Na2 O4M 87.2(3) 1_655 . O4M Na2 O4M 180 2_756 . O4MA Na2 O6W 92.1(6) . . O4MA Na2 O6W 87.9(6) 2_756 . O5W Na2 O6W 161.9(5) 2_656 . O5W Na2 O6W 18.1(5) 1_655 . O2O Na2 O6W 75.1(4) 2_656 . O2O Na2 O6W 104.9(4) 1_655 . O4MA Na2 O6W 87.9(6) . 2_756 O4MA Na2 O6W 92.1(6) 2_756 2_756 O5W Na2 O6W 18.1(5) 2_656 2_756 O5W Na2 O6W 161.9(5) 1_655 2_756 O2O Na2 O6W 104.9(4) 2_656 2_756 O2O Na2 O6W 75.1(4) 1_655 2_756 O6W Na2 O6W 180.0(8) . 2_756 O4MA Na2 S4LA 154.9(3) . 2_756 O4MA Na2 S4LA 25.1(3) 2_756 2_756 O5W Na2 S4LA 82.0(4) 2_656 2_756 O5W Na2 S4LA 98.0(4) 1_655 2_756 O2O Na2 S4LA 95.82(15) 2_656 2_756 O2O Na2 S4LA 84.18(15) 1_655 2_756 O6W Na2 S4LA 113.0(5) . 2_756 O6W Na2 S4LA 67.0(5) 2_756 2_756 O4MA Na2 S4LA 25.1(3) . . O4MA Na2 S4LA 154.9(3) 2_756 . O5W Na2 S4LA 98.0(4) 2_656 . O5W Na2 S4LA 82.0(4) 1_655 . O2O Na2 S4LA 84.18(15) 2_656 . O2O Na2 S4LA 95.82(15) 1_655 . O6W Na2 S4LA 67.0(5) . . O6W Na2 S4LA 113.0(5) 2_756 . S4LA Na2 S4LA 180 2_756 . O2N Na3 O4N 78.1(4) . 2_656 O2N Na3 O3N 92.3(4) . 1_565 O4N Na3 O3N 148.3(5) 2_656 1_565 O2N Na3 O3O 81.5(4) . 2_656 O4N Na3 O3O 102.4(5) 2_656 2_656 O3N Na3 O3O 106.0(6) 1_565 2_656 O2N Na3 Na1 46.1(2) . . O4N Na3 Na1 68.9(3) 2_656 . O3N Na3 Na1 124.5(4) 1_565 . O3O Na3 Na1 45.3(3) 2_656 . O2N Na3 Na6 86.9(4) . 2_566 O4N Na3 Na6 36.4(4) 2_656 2_566 O3N Na3 Na6 113.9(4) 1_565 2_566 O3O Na3 Na6 138.8(5) 2_656 2_566 Na1 Na3 Na6 100.5(3) . 2_566 O3W Na3A O3OA 163.5(7) . 2_656 O3W Na3A O4W 16.4(7) . 2_566 O3OA Na3A O4W 160.2(8) 2_656 2_566 O3W Na3A O11W 71.2(6) . 2_666 O3OA Na3A O11W 92.4(6) 2_656 2_666 O4W Na3A O11W 78.4(6) 2_566 2_666 O3W Na3A O2N 99.0(6) . . O3OA Na3A O2N 97.6(5) 2_656 . O4W Na3A O2N 93.7(4) 2_566 . O11W Na3A O2N 168.4(6) 2_666 . O3W Na3A O9W 131.5(7) . 2_656 O3OA Na3A O9W 32.0(6) 2_656 2_656 O4W Na3A O9W 132.4(7) 2_566 2_656 O11W Na3A O9W 61.6(6) 2_666 2_656 O2N Na3A O9W 129.1(6) . 2_656 O3W Na3A O3NA 114.2(7) . 1_565 O3OA Na3A O3NA 70.6(5) 2_656 1_565 O4W Na3A O3NA 128.3(7) 2_566 1_565 O11W Na3A O3NA 102.1(6) 2_666 1_565 O2N Na3A O3NA 75.9(4) . 1_565 O9W Na3A O3NA 86.8(6) 2_656 1_565 O3W Na3A O10W 85.0(6) . 2_666 O3OA Na3A O10W 81.1(5) 2_656 2_666 O4W Na3A O10W 97.3(6) 2_566 2_666 O11W Na3A O10W 27.7(7) 2_666 2_666 O2N Na3A O10W 149.0(7) . 2_666 O9W Na3A O10W 58.0(5) 2_656 2_666 O3NA Na3A O10W 74.5(7) 1_565 2_666 O3W Na3A Na6A 48.6(6) . 2_566 O3OA Na3A Na6A 128.2(5) 2_656 2_566 O4W Na3A Na6A 33.4(6) 2_566 2_566 O11W Na3A Na6A 80.8(5) 2_666 2_566 O2N Na3A Na6A 97.4(3) . 2_566 O9W Na3A Na6A 110.5(6) 2_656 2_566 O3NA Na3A Na6A 161.1(4) 1_565 2_566 O10W Na3A Na6A 107.7(6) 2_666 2_566 O3W Na3A Na1 124.5(5) . . O3OA Na3A Na1 70.5(4) 2_656 . O4W Na3A Na1 112.7(4) 2_566 . O11W Na3A Na1 157.4(5) 2_666 . O2N Na3A Na1 34.12(18) . . O9W Na3A Na1 98.6(4) 2_656 . O3NA Na3A Na1 86.5(4) 1_565 . O10W Na3A Na1 149.9(5) 2_666 . Na6A Na3A Na1 97.8(2) 2_566 . O3M Na4 Na5 109.8(10) . 2_656 O3M Na4 S3L 40.3(9) . . Na5 Na4 S3L 139.2(4) 2_656 . O3M Na4 O5M 151.3(10) . . Na5 Na4 O5M 90.5(5) 2_656 . S3L Na4 O5M 111.4(4) . . Na5 Na4 O10W 89.1(8) 2_656 2_656 O5M Na4 O10W 176.5(7) . 2_656 Na5 Na4 O7W 38.4(4) 2_656 2_656 O5M Na4 O7W 96.5(5) . 2_656 O10W Na4 O7W 81.0(6) 2_656 2_656 Na5 Na4 O3MA 172.5(5) 2_656 . O5M Na4 O3MA 91.4(6) . . O10W Na4 O3MA 88.7(9) 2_656 . O7W Na4 O3MA 134.1(5) 2_656 . O3M Na4 O5O 119.7(9) . 2_656 Na5 Na4 O5O 60.7(4) 2_656 2_656 S3L Na4 O5O 148.8(3) . 2_656 O5M Na4 O5O 87.7(3) . 2_656 O10W Na4 O5O 95.1(8) 2_656 2_656 O7W Na4 O5O 98.9(4) 2_656 2_656 O3MA Na4 O5O 126.7(4) . 2_656 O3M Na4 O3O 65.9(9) . . Na5 Na4 O3O 173.3(5) 2_656 . S3L Na4 O3O 34.3(3) . . O5M Na4 O3O 91.8(5) . . O5O Na4 O3O 125.7(5) 2_656 . O3M Na4 C3K 71.4(10) . . Na5 Na4 C3K 114.7(6) 2_656 . S3L Na4 C3K 41.7(5) . . O5M Na4 C3K 81.8(5) . . O5O Na4 C3K 168.6(6) 2_656 . O3O Na4 C3K 59.5(6) . . O3M Na4 O5N 103.6(8) . 2_656 Na5 Na4 O5N 112.2(4) 2_656 2_656 S3L Na4 O5N 103.5(3) . 2_656 O5M Na4 O5N 86.3(3) . 2_656 O10W Na4 O5N 97.1(5) 2_656 2_656 O7W Na4 O5N 150.3(4) 2_656 2_656 O3MA Na4 O5N 75.2(4) . 2_656 O5O Na4 O5N 51.5(2) 2_656 2_656 O3O Na4 O5N 74.3(4) . 2_656 C3K Na4 O5N 131.5(5) . 2_656 O3M Na4 Na1 113.0(9) . 2_656 Na5 Na4 Na1 136.3(4) 2_656 2_656 S3L Na4 Na1 82.6(3) . 2_656 O5M Na4 Na1 54.3(3) . 2_656 O10W Na4 Na1 127.7(6) 2_656 2_656 O7W Na4 Na1 149.3(5) 2_656 2_656 O3MA Na4 Na1 49.4(5) . 2_656 O5O Na4 Na1 89.9(3) 2_656 2_656 O3O Na4 Na1 49.2(3) . 2_656 C3K Na4 Na1 87.6(5) . 2_656 O5N Na4 Na1 48.77(19) 2_656 2_656 O7W Na5 Na4 99.2(6) . 2_656 O7W Na5 O5O 172.9(8) . . Na4 Na5 O5O 79.5(4) 2_656 . O7W Na5 O8W 25.4(7) . . Na4 Na5 O8W 111.6(5) 2_656 . O5O Na5 O8W 149.2(7) . . Na4 Na5 O3M 29.7(5) 2_656 2_656 O5O Na5 O3M 92.1(5) . 2_656 O7W Na5 O2O 96.6(5) . 2_656 Na4 Na5 O2O 158.6(5) 2_656 2_656 O5O Na5 O2O 86.5(3) . 2_656 O8W Na5 O2O 88.6(4) . 2_656 O3M Na5 O2O 169.2(6) 2_656 2_656 O7W Na5 O5M 103.4(8) . 2_656 Na4 Na5 O5M 53.5(4) 2_656 2_656 O5O Na5 O5M 81.5(4) . 2_656 O8W Na5 O5M 128.7(5) . 2_656 O3M Na5 O5M 81.7(5) 2_656 2_656 O2O Na5 O5M 108.6(3) 2_656 2_656 O7W Na5 O6W 113.4(9) . . Na4 Na5 O6W 115.4(5) 2_656 . O5O Na5 O6W 61.6(5) . . O8W Na5 O6W 88.1(6) . . O2O Na5 O6W 70.5(4) 2_656 . O5M Na5 O6W 143.1(5) 2_656 . O7W Na5 O10W 84.2(7) . . Na4 Na5 O10W 56.2(6) 2_656 . O5O Na5 O10W 89.3(5) . . O8W Na5 O10W 75.3(5) . . O2O Na5 O10W 140.4(8) 2_656 . O5M Na5 O10W 109.6(7) 2_656 . O6W Na5 O10W 72.9(8) . . O7W Na5 O5W 97.5(8) . 1_655 Na4 Na5 O5W 121.0(5) 2_656 1_655 O5O Na5 O5W 77.5(5) . 1_655 O8W Na5 O5W 72.1(5) . 1_655 O2O Na5 O5W 70.7(4) 2_656 1_655 O5M Na5 O5W 159.0(4) 2_656 1_655 O6W Na5 O5W 15.9(4) . 1_655 O10W Na5 O5W 69.9(8) . 1_655 O7W Na5 Na6A 61.0(7) . 2_666 Na4 Na5 Na6A 100.2(4) 2_656 2_666 O5O Na5 Na6A 112.3(4) . 2_666 O8W Na5 Na6A 39.0(4) . 2_666 O2O Na5 Na6A 100.1(3) 2_656 2_666 O5M Na5 Na6A 149.0(3) 2_656 2_666 O6W Na5 Na6A 58.2(5) . 2_666 O10W Na5 Na6A 46.2(5) . 2_666 O5W Na5 Na6A 44.6(3) 1_655 2_666 O7W Na5 Na1 141.7(5) . 2_656 Na4 Na5 Na1 108.3(4) 2_656 2_656 O5O Na5 Na1 44.3(2) . 2_656 O8W Na5 Na1 139.9(4) . 2_656 O3M Na5 Na1 132.1(4) 2_656 2_656 O2O Na5 Na1 51.25(19) 2_656 2_656 O5M Na5 Na1 74.2(2) 2_656 2_656 O6W Na5 Na1 78.4(5) . 2_656 O10W Na5 Na1 133.3(5) . 2_656 O5W Na5 Na1 90.8(4) 1_655 2_656 Na6A Na5 Na1 135.3(3) 2_666 2_656 O4N Na6 O1O 111.9(7) 1_465 . O4N Na6 S4L 19.5(4) 1_465 1_465 O1O Na6 S4L 100.8(5) . 1_465 O4N Na6 Na3 44.5(5) 1_465 2_566 O1O Na6 Na3 119.9(6) . 2_566 S4L Na6 Na3 63.7(4) 1_465 2_566 O4N Na6 Na5 110.8(6) 1_465 2_666 O1O Na6 Na5 80.6(6) . 2_666 S4L Na6 Na5 93.7(3) 1_465 2_666 Na3 Na6 Na5 150.8(6) 2_566 2_666 O4N Na6 Na2 63.7(5) 1_465 1_465 O1O Na6 Na2 126.7(5) . 1_465 S4L Na6 Na2 56.5(3) 1_465 1_465 Na3 Na6 Na2 93.9(5) 2_566 1_465 Na5 Na6 Na2 57.1(2) 2_666 1_465 O8W Na6A O4W 166.6(7) 2_666 . O8W Na6A O11W 125.6(8) 2_666 2_666 O4W Na6A O11W 67.6(8) . 2_666 O8W Na6A O12W 136.7(9) 2_666 2_566 O4W Na6A O12W 44.1(7) . 2_566 O11W Na6A O12W 60.0(5) 2_666 2_566 O8W Na6A O5W 93.2(8) 2_666 2_566 O4W Na6A O5W 81.1(7) . 2_566 O11W Na6A O5W 99.0(6) 2_666 2_566 O12W Na6A O5W 47.2(5) 2_566 2_566 O8W Na6A O10W 92.2(9) 2_666 2_666 O4W Na6A O10W 100.0(9) . 2_666 O11W Na6A O10W 35.5(6) 2_666 2_666 O12W Na6A O10W 74.1(8) 2_566 2_666 O5W Na6A O10W 90.3(9) 2_566 2_666 O8W Na6A O4MA 60.4(6) 2_666 1_465 O4W Na6A O4MA 106.2(7) . 1_465 O11W Na6A O4MA 165.7(6) 2_666 1_465 O12W Na6A O4MA 106.3(4) 2_566 1_465 O5W Na6A O4MA 66.9(5) 2_566 1_465 O10W Na6A O4MA 141.4(9) 2_666 1_465 O8W Na6A O7W 20.7(5) 2_666 2_666 O4W Na6A O7W 165.6(9) . 2_666 O11W Na6A O7W 107.5(7) 2_666 2_666 O12W Na6A O7W 121.5(8) 2_566 2_666 O5W Na6A O7W 86.4(7) 2_566 2_666 O10W Na6A O7W 72.7(7) 2_666 2_666 O4MA Na6A O7W 75.2(6) 1_465 2_666 O8W Na6A O1OA 87.2(5) 2_666 . O4W Na6A O1OA 96.7(9) . . O11W Na6A O1OA 87.1(6) 2_666 . O12W Na6A O1OA 134.6(8) 2_566 . O5W Na6A O1OA 172.1(8) 2_566 . O10W Na6A O1OA 97.6(8) 2_666 . O4MA Na6A O1OA 106.8(5) 1_465 . O7W Na6A O1OA 96.5(5) 2_666 . O8W Na6A O6W 90.2(7) 2_666 2_666 O4W Na6A O6W 87.0(6) . 2_666 O11W Na6A O6W 90.3(6) 2_666 2_666 O12W Na6A O6W 47.1(5) 2_566 2_666 O5W Na6A O6W 13.4(6) 2_566 2_666 O10W Na6A O6W 77.4(8) 2_666 2_666 O4MA Na6A O6W 76.2(4) 1_465 2_666 O7W Na6A O6W 79.3(6) 2_666 2_666 O1OA Na6A O6W 174.2(7) . 2_666 O8W Na6A O3W 152.9(7) 2_666 2_566 O4W Na6A O3W 17.7(7) . 2_566 O11W Na6A O3W 79.8(7) 2_666 2_566 O12W Na6A O3W 61.0(5) 2_566 2_566 O5W Na6A O3W 91.5(6) 2_566 2_566 O10W Na6A O3W 114.4(6) 2_666 2_566 O4MA Na6A O3W 97.5(6) 1_465 2_566 O7W Na6A O3W 172.6(4) 2_666 2_566 O1OA Na6A O3W 84.6(6) . 2_566 O6W Na6A O3W 100.0(4) 2_666 2_566 O8W Na6A Na5 46.2(5) 2_666 2_666 O4W Na6A Na5 137.6(8) . 2_666 O11W Na6A Na5 93.9(6) 2_666 2_666 O12W Na6A Na5 93.5(6) 2_566 2_666 O5W Na6A Na5 63.8(6) 2_566 2_666 O10W Na6A Na5 59.5(5) 2_666 2_666 O4MA Na6A Na5 82.3(6) 1_465 2_666 O7W Na6A Na5 28.0(4) 2_666 2_666 O1OA Na6A Na5 121.0(5) . 2_666 O6W Na6A Na5 54.0(5) 2_666 2_666 O3W Na6A Na5 153.5(4) 2_566 2_666 O16W Na7 O5M5 104(3) . . O16W Na7 O1MA 88(3) . . O5M5 Na7 O1MA 105.2(16) . . O16W Na7 O14W 26(3) . . O5M5 Na7 O14W 127.8(19) . . O1MA Na7 O14W 72.5(15) . . O16W Na7 O12W 152(3) . . O5M5 Na7 O12W 59.1(10) . . O1MA Na7 O12W 117.0(10) . . O14W Na7 O12W 167.8(18) . . O16W Na7 O1OA 131(3) . . O5M5 Na7 O1OA 114.8(11) . . O1MA Na7 O1OA 55.6(8) . . O14W Na7 O1OA 106.1(13) . . O12W Na7 O1OA 76.0(8) . . O16W Na7 O9W 73(3) . 1_465 O5M5 Na7 O9W 129.8(16) . 1_465 O1MA Na7 O9W 124.4(9) . 1_465 O14W Na7 O9W 68.1(11) . 1_465 O12W Na7 O9W 99.8(13) . 1_465 O1OA Na7 O9W 100.4(9) . 1_465 O16W Na7 O6M6 34(3) . . O5M5 Na7 O6M6 98.3(11) . . O1MA Na7 O6M6 121.3(14) . . O14W Na7 O6M6 51.0(11) . . O12W Na7 O6M6 121.2(13) . . O1OA Na7 O6M6 146.6(8) . . O9W Na7 O6M6 51.2(6) 1_465 . O1M Na7 O4M4 98.6(10) . . O16W Na7 C5M5 93(3) . . O5M5 Na7 C5M5 19.8(10) . . O1MA Na7 C5M5 88.9(13) . . O14W Na7 C5M5 112.5(17) . . O12W Na7 C5M5 76.4(9) . . O1OA Na7 C5M5 114.7(11) . . O9W Na7 C5M5 142.0(12) 1_465 . O6M6 Na7 C5M5 97.9(10) . . O16W Na7 O11W 128(3) . 1_455 O5M5 Na7 O11W 104.1(16) . 1_455 O1MA Na7 O11W 124.8(11) . 1_455 O14W Na7 O11W 120.0(13) . 1_455 O12W Na7 O11W 48.9(7) . 1_455 O1OA Na7 O11W 69.8(9) . 1_455 O9W Na7 O11W 55.2(8) 1_465 1_455 O6M6 Na7 O11W 99.0(11) . 1_455 C5M5 Na7 O11W 123.4(12) . 1_455 C4M4 O4M4 Na7 108.1(15) . . C5M5 O5M5 Na7 135(2) . . O5M5 C5M5 Na7 25.3(13) . . O15W O6M6 O16W 76(3) . . O15W O6M6 Na7 106.4(15) . . O16W O6M6 Na7 32(3) . . O15W C6M6 O14W 123(3) . . O15W C6M6 O16W 96(3) . . O14W C6M6 O16W 47(3) . . O15W C6M6 Na7 102(2) . . O14W C6M6 Na7 46.3(19) . . O16W C6M6 Na7 7(3) . . O4W O3W Na3A 143.4(16) 2_566 . O4W O3W Na6A 35.6(13) 2_566 2_566 Na3A O3W Na6A 111.1(7) . 2_566 O3W O4W O12W 154.1(17) 2_566 2_566 O3W O4W Na6A 126.7(19) 2_566 . O12W O4W Na6A 71.8(10) 2_566 . O3W O4W Na3A 20.2(10) 2_566 2_566 O12W O4W Na3A 149.9(9) 2_566 2_566 Na6A O4W Na3A 109.1(11) . 2_566 O6W O5W Na2 103.3(18) 1_455 1_455 O6W O5W Na6A 126(2) 1_455 2_566 Na2 O5W Na6A 113.6(7) 1_455 2_566 O6W O5W Na5 66(2) 1_455 1_455 Na2 O5W Na5 96.2(6) 1_455 1_455 Na6A O5W Na5 71.6(6) 2_566 1_455 O5W O6W Na2 58.6(15) 1_655 . O5W O6W Na5 98(2) 1_655 . Na2 O6W Na5 94.9(5) . . O5W O6W Na6A 40.7(18) 1_655 2_666 Na2 O6W Na6A 89.1(5) . 2_666 Na5 O6W Na6A 67.8(6) . 2_666 O8W O7W Na5 120.8(14) . . O8W O7W Na4 133.2(11) . 2_656 Na5 O7W Na4 42.4(5) . 2_656 O8W O7W Na6A 38.3(8) . 2_666 Na5 O7W Na6A 91.0(8) . 2_666 Na4 O7W Na6A 95.2(5) 2_656 2_666 O7W O8W Na6A 121.0(11) . 2_666 O7W O8W Na5 33.9(8) . . Na6A O8W Na5 94.8(7) 2_666 . O3OA O9W Na3A 63.8(9) . 2_656 O3OA O9W Na7 155.9(15) . 1_645 Na3A O9W Na7 109.3(10) 2_656 1_645 O11W O10W Na4 174(2) . 2_656 O11W O10W Na6A 68.6(12) . 2_666 Na4 O10W Na6A 107.1(8) 2_656 2_666 O11W O10W Na5 139.9(18) . . Na4 O10W Na5 34.7(3) 2_656 . Na6A O10W Na5 74.4(7) 2_666 . O11W O10W Na3A 53.5(9) . 2_666 Na4 O10W Na3A 132.1(14) 2_656 2_666 Na6A O10W Na3A 106.4(6) 2_666 2_666 Na5 O10W Na3A 157.9(12) . 2_666 O10W O11W Na6A 75.9(12) . 2_666 O10W O11W Na3A 98.7(15) . 2_666 Na6A O11W Na3A 132.5(8) 2_666 2_666 O10W O11W Na7 108.7(13) . 1_655 Na6A O11W Na7 119.3(6) 2_666 1_655 Na3A O11W Na7 107.3(7) 2_666 1_655 O4W O12W Na6A 64.1(10) 2_566 2_566 O4W O12W Na7 107.0(10) 2_566 . Na6A O12W Na7 131.8(8) 2_566 . O16W O14W C6M6 72(4) . . O16W O14W Na7 38(4) . . C6M6 O14W Na7 109(3) . . C6M6 O15W O6M6 103(2) . . O14W O16W C6M6 61(4) . . O14W O16W Na7 117(6) . . C6M6 O16W Na7 167(5) . . O14W O16W O6M6 103(6) . . C6M6 O16W O6M6 78(4) . . Na7 O16W O6M6 114(4) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 C1A C1F 1.383(7) . C1A C1B 1.398(7) . C1A C1P 1.513(7) . C1B C1C 1.398(6) . C1C C1D 1.384(7) . C1C C5Q 1.524(6) . C1D C1E 1.397(6) . C1D O1G 1.404(5) . C1E C1F 1.402(6) . C1E C1Q 1.513(6) . O1G C1H 1.424(5) . C1H C1I 1.523(7) . C1I C1J 1.527(7) . C1J C1K 1.525(8) . C1K S1LA 1.771(9) . C1K S1L 1.833(6) . S1L O1N 1.418(10) . S1L O1M 1.466(11) . S1L O1O 1.467(10) . O1M Na7 2.80(3) . O1O Na6 2.37(2) . S1LA O1OA 1.404(18) . S1LA O1MA 1.45(2) . S1LA O1NA 1.53(2) . S1LA Na7 2.91(3) . O1MA Na7 2.13(4) . O1OA Na7 2.63(3) . O1OA Na6A 2.77(2) . C1Q C2C 1.516(5) . C2A C2F 1.380(6) . C2A C2B 1.413(6) . C2A C2P 1.490(6) . C2B C2C 1.389(6) . C2C C2D 1.384(6) . C2D O2G 1.399(5) . C2D C2E 1.401(5) . C2E C2F 1.405(6) . C2E C2Q 1.524(6) . O2G C2H 1.440(6) . C2H C2I 1.508(7) . C2I C2J 1.532(7) . C2J C2K 1.515(8) . C2K S2L 1.762(6) . S2L O2M 1.412(7) . S2L O2O 1.441(5) . S2L O2N 1.459(7) . S2L Na1 3.090(4) . O2N Na3 2.308(7) . O2N Na1 2.416(7) . O2N Na3A 2.519(8) . O2O Na2 2.475(6) 1_455 O2O Na5 2.589(8) 2_656 O2O Na1 2.779(8) . C2Q C3C 1.515(6) . C3A C3F 1.376(7) . C3A C3B 1.391(6) . C3A C3P 1.514(6) . C3B C3C 1.407(6) . C3C C3D 1.406(7) . C3D O3G 1.387(5) . C3D C3E 1.395(6) . C3E C3F 1.409(6) . C3E C3Q 1.506(7) . O3G C3HA 1.402(10) . O3G C3H 1.573(13) . C3H C3I 1.43(2) . C3I C3J 1.58(3) . C3J C3K 1.33(2) . C3K S3L 1.744(19) . C3K Na4 2.60(2) . S3L O3N 1.424(11) . S3L O3O 1.440(13) . S3L O3M 1.465(16) . S3L Na4 2.169(7) . O3M Na4 1.232(13) . O3M Na5 2.338(13) 2_656 O3N Na3 2.531(14) 1_545 O3O Na1 2.406(13) 2_656 O3O Na4 2.550(13) . O3O Na3 2.681(14) 2_656 C3HA C3IA 1.491(18) . C3IA C3JA 1.597(15) . C3JA C3KA 1.35(2) . C3KA S3LA 1.740(16) . S3LA O3MA 1.415(19) . S3LA O3NA 1.437(16) . S3LA O3OA 1.517(19) . O3MA Na1 2.40(2) 2_656 O3MA Na4 2.46(3) . O3NA Na3A 2.91(2) 1_545 O3OA O9W 1.38(2) . O3OA Na3A 2.334(19) 2_656 C3Q C4C 1.522(6) . C4A C4F 1.393(6) . C4A C4B 1.396(7) . C4A C4P 1.511(7) . C4B C4C 1.386(7) . C4C C4D 1.396(6) . C4D O4G 1.395(6) . C4D C4E 1.400(6) . C4E C4F 1.391(7) . C4E C4Q 1.518(6) . O4G C4HA 1.443(6) . O4G C4H 1.443(6) . C4H C4I 1.487(10) . C4I C4J 1.529(11) . C4J C4K 1.557(17) . C4K S4L 1.771(12) . S4L O4O 1.265(9) . S4L O4N 1.430(10) . S4L O4M 1.504(12) . S4L Na6 3.241(18) 1_645 S4L Na1 3.271(6) 2_656 O4M Na2 2.600(12) . O4N Na6 2.12(2) 1_645 O4N Na3 2.498(16) 2_656 C4HA C4IA 1.31(4) . C4IA C4JA 1.36(3) . C4JA C4KA 1.456(12) . C4KA S4LA 1.719(11) . S4LA O4NA 1.484(14) . S4LA O4MA 1.506(10) . S4LA O4O 1.690(10) . S4LA Na2 3.213(4) . O4MA Na2 2.270(10) . O4MA Na6A 2.568(13) 1_645 O4O Na1 2.308(8) 2_656 C4Q C5C 1.504(6) . C5A C5B 1.374(6) . C5A C5F 1.388(7) . C5A C5P 1.510(7) . C5B C5C 1.405(6) . C5C C5D 1.387(6) . C5D O5G 1.382(5) . C5D C5E 1.408(5) . C5E C5F 1.406(6) . C5E C5Q 1.511(6) . O5G C5H 1.437(6) . C5H C5I 1.523(8) . C5I C5J 1.543(9) . C5J C5K 1.521(9) . C5K S5L 1.772(8) . S5L O5O 1.440(7) . S5L O5N 1.446(7) . S5L O5M 1.448(6) . S5L Na1 3.040(4) 2_656 S5L Na4 3.224(6) 2_656 O5M Na4 2.206(9) . O5M Na1 2.548(11) 2_656 O5M Na5 2.744(13) 2_656 O5N Na1 2.503(8) . O5N Na4 2.954(8) 2_656 O5O Na5 2.197(9) . O5O Na4 2.477(9) 2_656 O5O Na1 2.488(7) 2_656 Na1 O4O 2.308(8) 2_656 Na1 O3MA 2.40(2) 2_656 Na1 O3O 2.406(13) 2_656 Na1 O5O 2.488(7) 2_656 Na1 O5M 2.548(11) 2_656 Na1 S5L 3.040(4) 2_656 Na1 Na4 3.100(9) 2_656 Na1 S4L 3.271(6) 2_656 Na2 O4MA 2.270(10) 2_756 Na2 O5W 2.285(15) 2_656 Na2 O5W 2.285(15) 1_655 Na2 O2O 2.475(6) 2_656 Na2 O2O 2.475(6) 1_655 Na2 O4M 2.600(12) 2_756 Na2 O6W 2.604(14) . Na2 O6W 2.604(14) 2_756 Na2 S4LA 3.213(4) 2_756 Na3 O4N 2.498(16) 2_656 Na3 O3N 2.531(14) 1_565 Na3 O3O 2.681(14) 2_656 Na3 Na6 3.52(2) 2_566 Na3A O3W 1.381(17) . Na3A O3OA 2.334(19) 2_656 Na3A O4W 2.39(3) 2_566 Na3A O11W 2.455(13) 2_666 Na3A O9W 2.588(17) 2_656 Na3A O3NA 2.91(2) 1_565 Na3A O10W 3.02(2) 2_666 Na3A Na6A 3.708(18) 2_566 Na4 Na5 1.614(10) 2_656 Na4 O10W 2.354(17) 2_656 Na4 O7W 2.364(15) 2_656 Na4 O5O 2.477(9) 2_656 Na4 O5N 2.954(8) 2_656 Na4 Na1 3.100(9) 2_656 Na5 O7W 1.488(15) . Na5 Na4 1.614(10) 2_656 Na5 O8W 2.294(15) . Na5 O3M 2.338(13) 2_656 Na5 O2O 2.589(8) 2_656 Na5 O5M 2.744(13) 2_656 Na5 O6W 2.77(2) . Na5 O10W 2.832(17) . Na5 O5W 3.00(2) 1_655 Na5 Na6A 3.167(19) 2_666 Na5 Na1 3.531(6) 2_656 Na6 O4N 2.12(2) 1_465 Na6 S4L 3.240(18) 1_465 Na6 Na3 3.52(2) 2_566 Na6 Na5 4.110(17) 2_666 Na6 Na2 4.170(17) 1_465 Na6A O8W 2.00(2) 2_666 Na6A O4W 2.16(3) . Na6A O11W 2.278(16) 2_666 Na6A O12W 2.285(17) 2_566 Na6A O5W 2.342(16) 2_566 Na6A O10W 2.37(3) 2_666 Na6A O4MA 2.568(13) 1_465 Na6A O7W 2.77(2) 2_666 Na6A O6W 2.91(3) 2_666 Na6A O3W 2.98(2) 2_566 Na6A Na5 3.167(19) 2_666 Na7 O16W 1.56(7) . Na7 O5M5 1.73(2) . Na7 O14W 2.28(5) . Na7 O12W 2.60(3) . Na7 O9W 2.69(3) 1_465 Na7 O6M6 2.69(2) . Na7 O4M4 2.81(3) . Na7 C5M5 2.86(4) . Na7 O11W 2.88(4) 1_455 C1M1 O1M1 1.349(13) . C2M2 O2M2 1.45(4) . C3M3 O3M3 1.272(13) . O4M4 C4M4 1.433(19) . O5M5 C5M5 1.37(4) . O6M6 O15W 1.42(3) . O6M6 O16W 1.64(7) . C6M6 O15W 1.07(3) . C6M6 O14W 1.34(4) . C6M6 O16W 1.45(7) . O3W O4W 1.13(2) 2_566 O3W Na6A 2.98(2) 2_566 O4W O3W 1.13(2) 2_566 O4W O12W 1.67(3) 2_566 O4W Na3A 2.39(2) 2_566 O5W O6W 0.830(19) 1_455 O5W Na2 2.285(15) 1_455 O5W Na6A 2.342(16) 2_566 O5W Na5 3.00(2) 1_455 O6W O5W 0.830(19) 1_655 O6W Na6A 2.91(3) 2_666 O7W O8W 1.143(19) . O7W Na4 2.364(15) 2_656 O7W Na6A 2.77(2) 2_666 O8W Na6A 2.00(2) 2_666 O9W Na3A 2.588(17) 2_656 O9W Na7 2.69(3) 1_645 O10W O11W 1.42(2) . O10W Na4 2.354(17) 2_656 O10W Na6A 2.37(3) 2_666 O10W Na3A 3.02(2) 2_666 O11W Na6A 2.278(16) 2_666 O11W Na3A 2.455(13) 2_666 O11W Na7 2.88(4) 1_655 O12W O4W 1.67(3) 2_566 O12W Na6A 2.285(17) 2_566 O14W O16W 1.11(7) .