#------------------------------------------------------------------------------ #$Date: 2020-07-06 05:03:39 +0300 (Mon, 06 Jul 2020) $ #$Revision: 253818 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/64/7126498.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_7126498 loop_ _publ_author_name 'Yelgaonkar, Shweta P.' 'Kiani, Daniyal' 'Baltrusaitis, Jonas' 'MacGillivray, Leonard R.' _publ_section_title ; Superstructural diversity in salt-cocrystals: higher-order hydrogen-bonded assemblies formed using U-shaped dications and with assistance of \p--\p stacking. ; _journal_issue 49 _journal_name_full 'Chemical communications (Cambridge, England)' _journal_page_first 6708 _journal_page_last 6710 _journal_paper_doi 10.1039/d0cc02671a _journal_volume 56 _journal_year 2020 _chemical_formula_moiety 'C20 H11 O8, C10 H5 O4, C10 H6 O4, C24 H16 N2' _chemical_formula_sum 'C64 H38 N2 O16' _chemical_formula_weight 1090.96 _chemical_name_systematic Isocoumarin-3-acid-DAPN _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens mixed _atom_sites_solution_primary dual _audit_creation_date 2019-03-22 _audit_creation_method ; Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337) ; _audit_update_record ; 2019-03-27 deposited with the CCDC. 2020-05-07 downloaded from the CCDC. ; _cell_angle_alpha 110.471(5) _cell_angle_beta 93.635(5) _cell_angle_gamma 106.238(5) _cell_formula_units_Z 2 _cell_length_a 8.8579(9) _cell_length_b 15.7231(16) _cell_length_c 20.017(2) _cell_measurement_reflns_used 6389 _cell_measurement_temperature 150(2) _cell_measurement_theta_max 52.13 _cell_measurement_theta_min 4.801 _cell_volume 2467.0(5) _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'ShelXT (Sheldrick, 2015)' _diffrn_ambient_temperature 150.15 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Bruker Neditonius APEX II Kappa' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0558 _diffrn_reflns_av_unetI/netI 0.0793 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_number 38303 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.990 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.467 _diffrn_reflns_theta_min 2.208 _exptl_absorpt_coefficient_mu 0.107 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0609 before and 0.0523 after correction. The Ratio of minimum to maximum transmission is 0.9349. The \l/2 correction factor is 0.00150.' _exptl_crystal_colour 'light orange' _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary orange _exptl_crystal_density_diffrn 1.469 _exptl_crystal_description plate _exptl_crystal_F_000 1128 _exptl_crystal_recrystallization_method 'slow evaporation-from methanol' _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.03 _exptl_transmission_factor_max 0.7454 _exptl_transmission_factor_min 0.6969 _refine_diff_density_max 0.327 _refine_diff_density_min -0.269 _refine_diff_density_rms 0.053 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 752 _refine_ls_number_reflns 10085 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.020 _refine_ls_R_factor_all 0.1144 _refine_ls_R_factor_gt 0.0524 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0560P)^2^+0.4880P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1112 _refine_ls_wR_factor_ref 0.1325 _reflns_Friedel_coverage 0.000 _reflns_number_gt 5890 _reflns_number_total 10085 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0cc02671a2.cif _cod_data_source_block mcg18171 _cod_depositor_comments 'Adding full bibliography for 7126497--7126499.cif.' _cod_original_cell_volume 2467.0(4) _cod_database_code 7126498 _shelx_shelxl_version_number 2016/4 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.997 _shelx_estimated_absorpt_t_min 0.986 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All O(H) groups 2.a Aromatic/amide H refined with riding coordinates: C00Y(H00Y), C010(H010), C011(H011), C012(H012), C013(H013), C014(H014), C018(H018), C01A(H01A), C01B(H01B), C01D(H01D), C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01L(H01L), C01P(H01P), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y), C021(H021), C022(H022), C023(H023), C025(H025), C027(H027), C028(H028), C029(H029), C02A(H02A) 2.b Idealised tetrahedral OH refined as rotating group: O00A(H00A) ; _shelx_res_file ; TITL mcg18171_a.res in P-1 mcg18171.res created by SHELXL-2016/4 at 12:19:24 on 22-Mar-2019 REM Old TITL Mcg18_171 in P-1 sample #18266 SY-isocoumarin-DAPN REM SHELXT solution in P-1 REM R1 0.183, Rweak 0.014, Alpha 0.045, Orientation as input REM Formula found by SHELXT: C62 N5 O15 CELL 0.71073 8.8579 15.7231 20.017 110.471 93.635 106.238 ZERR 2 0.0009 0.0016 0.002 0.005 0.005 0.005 LATT 1 SFAC C H N O UNIT 128 76 4 32 L.S. 10 0 0 PLAN -20 SIZE 0.03 0.12 0.13 TEMP -123 BOND $H list 4 fmap 2 53 acta OMIT 0 -1 1 OMIT 0 0 1 OMIT 0 -1 2 OMIT 0 1 0 OMIT 1 0 0 OMIT 1 -1 1 REM REM REM WGHT 0.056000 0.488000 FVAR 0.26388 O001 4 0.529660 0.993914 0.627913 11.00000 0.02833 0.01991 = 0.01237 -0.00106 0.00701 0.00224 O002 4 1.095789 1.080536 0.714292 11.00000 0.02837 0.02124 = 0.01454 0.00070 0.00847 0.00645 O003 4 0.648948 0.959505 0.510698 11.00000 0.02799 0.02789 = 0.01607 0.00199 0.01002 0.00322 O004 4 1.230470 1.062752 0.598942 11.00000 0.02950 0.02297 = 0.01854 -0.00055 0.01039 0.00184 O005 4 0.441625 0.825978 0.447750 11.00000 0.03783 0.02216 = 0.01661 -0.00421 0.00692 0.00516 O006 4 1.119933 1.165442 0.830597 11.00000 0.03925 0.02748 = 0.01750 -0.00396 0.00913 0.00326 O007 4 1.039930 0.923422 0.532231 11.00000 0.03550 0.03042 = 0.01752 -0.00473 0.00875 0.00229 O008 4 0.558539 1.098715 0.738805 11.00000 0.03801 0.02514 = 0.01953 -0.00505 0.00656 -0.00235 O009 4 1.385230 0.621520 0.442518 11.00000 0.02667 0.03797 = 0.02930 0.01333 0.00780 0.00668 O00A 4 0.865645 0.441508 0.277424 11.00000 0.03929 0.03541 = 0.02611 0.00344 0.00166 0.00162 AFIX 147 H00A 2 0.946064 0.477137 0.309800 11.00000 -1.50000 AFIX 0 O00B 4 1.100813 0.555768 0.367833 11.00000 0.03348 0.04633 = 0.02626 0.00687 0.00560 0.00519 O00C 4 1.044590 0.383248 0.217433 11.00000 0.04745 0.04510 = 0.03589 0.01609 0.00747 0.01355 O00D 4 0.810407 0.245791 0.113036 11.00000 0.06304 0.02993 = 0.02771 0.00840 0.00691 0.00906 N00E 3 1.065106 0.820658 0.401442 11.00000 0.02599 0.02471 = 0.01538 -0.00154 0.00181 0.00429 O00F 4 0.992281 0.593695 0.468115 11.00000 0.03846 0.07809 = 0.05085 0.02830 0.02149 0.02751 O00G 4 1.640163 0.657471 0.435852 11.00000 0.03175 0.08688 = 0.04724 0.03960 0.01532 0.01035 N00H 3 0.473420 0.706144 0.313250 11.00000 0.04028 0.03347 = 0.01177 -0.00058 0.00476 0.01956 O00I 4 0.748457 0.117145 0.012141 11.00000 0.10035 0.03921 = 0.04211 0.00471 0.02054 0.02612 C00J 1 1.019050 0.999696 0.652327 11.00000 0.02613 0.01795 = 0.01410 -0.00031 0.00500 0.00854 C00K 1 0.898719 1.020306 0.779730 11.00000 0.02697 0.02154 = 0.01821 0.00652 0.00641 0.01194 C00L 1 0.513494 0.581254 0.186633 11.00000 0.02422 0.01847 = 0.01306 0.00233 0.00151 0.00805 C00M 1 0.635621 0.394383 0.018127 11.00000 0.02839 0.01668 = 0.01371 0.00482 0.00772 0.00831 C00N 1 1.042114 1.093788 0.779478 11.00000 0.03027 0.02374 = 0.01771 0.00305 0.00982 0.01319 C00O 1 0.796806 0.394334 0.019155 11.00000 0.02736 0.01525 = 0.01081 0.00323 0.00570 0.00689 C00P 1 0.446483 0.907893 0.571612 11.00000 0.02604 0.01700 = 0.01457 0.00095 0.00443 0.00684 C00Q 1 0.827952 0.321916 -0.040120 11.00000 0.02993 0.01907 = 0.01329 0.00452 0.00727 0.01073 C00R 1 0.544611 0.515390 0.123188 11.00000 0.02550 0.01786 = 0.01603 0.00326 0.00253 0.00474 C00S 1 0.484042 1.020013 0.694772 11.00000 0.02931 0.02369 = 0.01592 0.00325 0.00549 0.00937 C00T 1 0.590174 0.462454 0.075254 11.00000 0.02347 0.02059 = 0.01697 0.00576 0.00229 0.00543 C00U 1 0.930110 0.461694 0.073952 11.00000 0.03021 0.01867 = 0.01435 0.00358 0.00391 0.00868 C00V 1 0.351850 0.948922 0.705788 11.00000 0.02630 0.02149 = 0.01949 0.00661 0.00698 0.01125 C00W 1 0.923375 0.536704 0.139791 11.00000 0.02533 0.02177 = 0.01875 0.00704 0.00383 0.00535 C00X 1 0.821401 0.939815 0.715790 11.00000 0.02497 0.02056 = 0.02156 0.00707 0.00643 0.01025 C00Y 1 0.391912 0.551033 0.222348 11.00000 0.02659 0.02279 = 0.01806 0.00549 0.00557 0.00611 AFIX 43 H00Y 2 0.321551 0.486785 0.202669 11.00000 -1.20000 AFIX 0 C00Z 1 0.986440 0.675712 0.268307 11.00000 0.02440 0.02094 = 0.01484 0.00125 0.00176 0.00704 C010 1 0.887876 0.932549 0.651371 11.00000 0.02884 0.02110 = 0.01732 0.00143 0.00483 0.00884 AFIX 43 H010 2 0.837475 0.879048 0.607462 11.00000 -1.20000 AFIX 0 C011 1 0.516550 0.326572 -0.038412 11.00000 0.02718 0.02178 = 0.02039 0.00308 0.00364 0.00696 AFIX 43 H011 2 0.409909 0.327744 -0.038360 11.00000 -1.20000 AFIX 0 C012 1 0.700797 0.254056 -0.096109 11.00000 0.04081 0.01835 = 0.01423 0.00072 0.00738 0.01289 AFIX 43 H012 2 0.722363 0.205812 -0.134892 11.00000 -1.20000 AFIX 0 C013 1 0.609950 0.677231 0.215641 11.00000 0.02783 0.02258 = 0.01746 0.00513 0.00671 0.00984 AFIX 43 H013 2 0.690552 0.700095 0.191185 11.00000 -1.20000 AFIX 0 C014 1 1.117169 0.758527 0.284110 11.00000 0.02535 0.02522 = 0.01856 0.00513 0.00593 0.00735 AFIX 43 H014 2 1.179944 0.764883 0.248302 11.00000 -1.20000 AFIX 0 C015 1 0.949390 0.599963 0.197994 11.00000 0.02735 0.02536 = 0.01838 0.00407 0.00159 0.00680 C016 1 1.102076 0.994865 0.589112 11.00000 0.03030 0.02454 = 0.01682 0.00407 0.00596 0.01318 C017 1 0.515529 0.895217 0.503640 11.00000 0.02910 0.02248 = 0.01937 0.00568 0.00619 0.01396 C018 1 1.154011 0.830393 0.351596 11.00000 0.02398 0.02300 = 0.01972 0.00399 0.00526 0.00233 AFIX 43 H018 2 1.242485 0.886889 0.362813 11.00000 -1.20000 AFIX 0 C019 1 0.271450 0.861187 0.648483 11.00000 0.02757 0.01798 = 0.02522 0.00780 0.00809 0.00883 C01A 1 0.549071 0.255972 -0.095945 11.00000 0.03519 0.02044 = 0.01296 -0.00212 -0.00158 0.00686 AFIX 43 H01A 2 0.465438 0.209997 -0.134380 11.00000 -1.20000 AFIX 0 C01B 1 0.939796 0.742610 0.388823 11.00000 0.02634 0.03127 = 0.01850 0.00542 0.00745 0.00775 AFIX 43 H01B 2 0.879737 0.738475 0.425899 11.00000 -1.20000 AFIX 0 C01C 1 1.568293 0.628028 0.540040 11.00000 0.02866 0.02208 = 0.02626 0.00505 0.00492 0.00554 C01D 1 0.322479 0.844179 0.579224 11.00000 0.03311 0.01657 = 0.01718 -0.00066 0.00485 0.00702 AFIX 43 H01D 2 0.266490 0.786770 0.538846 11.00000 -1.20000 AFIX 0 C01E 1 0.309861 0.968564 0.774467 11.00000 0.03686 0.02285 = 0.02191 0.00536 0.00823 0.01132 AFIX 43 H01E 2 0.364653 1.028205 0.813035 11.00000 -1.20000 AFIX 0 C01F 1 0.587770 0.738192 0.279486 11.00000 0.02906 0.02131 = 0.02389 0.00179 0.00026 0.00909 AFIX 43 H01F 2 0.653919 0.803420 0.299775 11.00000 -1.20000 AFIX 0 C01G 1 0.898035 0.668302 0.322019 11.00000 0.02277 0.02356 = 0.02094 0.00267 0.00280 0.00061 AFIX 43 H01G 2 0.809539 0.612459 0.312746 11.00000 -1.20000 AFIX 0 C01H 1 0.840130 1.029578 0.844280 11.00000 0.03595 0.03048 = 0.01884 0.00800 0.00982 0.01485 AFIX 43 H01H 2 0.892745 1.083690 0.887532 11.00000 -1.20000 AFIX 0 C01I 1 0.985018 0.318955 -0.042878 11.00000 0.03814 0.02566 = 0.02211 0.00325 0.01215 0.01726 AFIX 43 H01I 2 1.004089 0.269678 -0.081753 11.00000 -1.20000 AFIX 0 C01J 1 0.685718 0.870644 0.717845 11.00000 0.03220 0.02326 = 0.02387 0.00703 0.00612 0.00745 AFIX 43 H01J 2 0.631811 0.816270 0.674945 11.00000 -1.20000 AFIX 0 C01K 1 0.147654 0.794380 0.661376 11.00000 0.03688 0.01862 = 0.03443 0.00776 0.01032 0.00743 AFIX 43 H01K 2 0.090957 0.734767 0.623156 11.00000 -1.20000 AFIX 0 C01L 1 1.081692 0.457154 0.067350 11.00000 0.02948 0.03053 = 0.01980 0.00299 0.00037 0.00794 AFIX 43 H01L 2 1.169757 0.503864 0.103180 11.00000 -1.20000 AFIX 0 C01M 1 1.441190 0.610674 0.577017 11.00000 0.03383 0.02038 = 0.02364 0.00228 0.00557 0.00401 C01N 1 1.261138 0.603213 0.479371 11.00000 0.02896 0.02281 = 0.02933 0.00587 0.01141 0.00582 C01O 1 0.908915 0.383675 0.223333 11.00000 0.04471 0.02936 = 0.02530 0.01504 0.00491 0.00590 C01P 1 0.629236 0.880558 0.781626 11.00000 0.03381 0.03086 = 0.03498 0.01818 0.01275 0.00843 AFIX 43 H01P 2 0.536905 0.832665 0.782474 11.00000 -1.20000 AFIX 0 C01Q 1 0.769093 0.314991 0.165727 11.00000 0.04843 0.02694 = 0.02220 0.01278 0.00837 0.00880 C01R 1 1.103597 0.583131 0.435857 11.00000 0.03098 0.02708 = 0.03220 0.01086 0.00967 0.00370 C01S 1 0.107442 0.814714 0.729488 11.00000 0.03546 0.03071 = 0.04016 0.02027 0.01845 0.01021 AFIX 43 H01S 2 0.022994 0.768900 0.737697 11.00000 -1.20000 AFIX 0 C01T 1 0.375126 0.615723 0.286698 11.00000 0.03002 0.03846 = 0.02006 0.01005 0.00904 0.01341 AFIX 43 H01T 2 0.293860 0.595921 0.311988 11.00000 -1.20000 AFIX 0 C01U 1 0.188787 0.901067 0.785892 11.00000 0.04304 0.03105 = 0.02688 0.01346 0.01673 0.01598 AFIX 43 H01U 2 0.160952 0.913785 0.832644 11.00000 -1.20000 AFIX 0 C01V 1 0.705737 0.959886 0.844889 11.00000 0.04122 0.03846 = 0.02780 0.01595 0.01697 0.01500 AFIX 43 H01V 2 0.665342 0.966072 0.888594 11.00000 -1.20000 AFIX 0 C01W 1 1.284836 0.599525 0.544369 11.00000 0.03415 0.02368 = 0.02848 0.00598 0.01006 0.00646 AFIX 43 H01W 2 1.197758 0.589464 0.569204 11.00000 -1.20000 AFIX 0 C01X 1 0.621096 0.318317 0.163897 11.00000 0.05346 0.02676 = 0.02231 0.01242 0.00250 0.00460 AFIX 43 H01X 2 0.597441 0.367057 0.201421 11.00000 -1.20000 AFIX 0 C01Y 1 1.109372 0.385395 0.009130 11.00000 0.02858 0.03988 = 0.03127 0.00818 0.01054 0.01736 AFIX 43 H01Y 2 1.214947 0.383285 0.006095 11.00000 -1.20000 AFIX 0 C01Z 1 1.540792 0.637524 0.470979 11.00000 0.02783 0.03633 = 0.03155 0.01132 0.00733 0.00463 C020 1 0.494220 0.247009 0.104154 11.00000 0.05044 0.03143 = 0.03388 0.02026 0.00031 0.00736 C021 1 1.720550 0.632552 0.567119 11.00000 0.03222 0.02862 = 0.03408 0.00585 0.00334 0.00498 AFIX 43 H021 2 1.805703 0.643614 0.541409 11.00000 -1.20000 AFIX 0 C022 1 1.471731 0.600798 0.643222 11.00000 0.04635 0.03443 = 0.02873 0.01004 0.00924 0.00678 AFIX 43 H022 2 1.388002 0.590304 0.669768 11.00000 -1.20000 AFIX 0 C023 1 1.622939 0.606336 0.669561 11.00000 0.05332 0.03415 = 0.03336 0.01387 0.00153 0.01028 AFIX 43 H023 2 1.642925 0.600115 0.714537 11.00000 -1.20000 AFIX 0 C024 1 0.698469 0.174653 0.054595 11.00000 0.06875 0.03143 = 0.02887 0.01318 0.00890 0.00918 C025 1 1.746440 0.620844 0.631478 11.00000 0.03873 0.02758 = 0.04017 0.00819 -0.00200 0.00727 AFIX 43 H025 2 1.849430 0.622732 0.649805 11.00000 -1.20000 AFIX 0 C026 1 0.536530 0.175509 0.051015 11.00000 0.06522 0.02740 = 0.02330 0.01227 0.00371 0.00619 C027 1 0.337252 0.247003 0.099371 11.00000 0.05875 0.03739 = 0.03802 0.01581 -0.00189 0.00846 AFIX 43 H027 2 0.308617 0.294820 0.135516 11.00000 -1.20000 AFIX 0 C028 1 0.417515 0.104979 -0.007422 11.00000 0.07860 0.03369 = 0.03196 0.01170 -0.00318 0.00548 AFIX 43 H028 2 0.444512 0.056811 -0.044002 11.00000 -1.20000 AFIX 0 C029 1 0.221770 0.176370 0.041178 11.00000 0.06452 0.04729 = 0.04454 0.02067 -0.01287 0.00231 AFIX 43 H029 2 0.114295 0.176329 0.037424 11.00000 -1.20000 AFIX 0 C02A 1 0.263776 0.105948 -0.011397 11.00000 0.07159 0.03984 = 0.03644 0.00754 -0.01623 0.00115 AFIX 43 H02A 2 0.184158 0.057831 -0.050642 11.00000 -1.20000 AFIX 0 H003 2 0.706261 0.953808 0.464334 11.00000 0.09466 H00H 2 0.465866 0.743051 0.354649 11.00000 0.05976 H00E 2 1.085667 0.867725 0.444896 11.00000 0.05286 HKLF 4 REM mcg18171_a.res in P-1 REM R1 = 0.0524 for 5890 Fo > 4sig(Fo) and 0.1144 for all 10085 data REM 752 parameters refined using 0 restraints END WGHT 0.0559 0.4921 REM Highest difference peak 0.327, deepest hole -0.269, 1-sigma level 0.053 Q1 1 0.5862 0.1058 -0.0015 11.00000 0.05 0.26 Q2 1 1.6973 0.5382 0.3999 11.00000 0.05 0.25 Q3 1 0.4580 0.3022 0.1423 11.00000 0.05 0.25 Q4 1 1.1753 0.5238 0.3907 11.00000 0.05 0.23 Q5 1 1.1394 0.6047 0.5249 11.00000 0.05 0.22 Q6 1 1.7277 0.6121 0.4418 11.00000 0.05 0.22 Q7 1 1.6828 0.7035 0.4983 11.00000 0.05 0.21 Q8 1 0.5767 0.3421 0.0002 11.00000 0.05 0.21 Q9 1 0.0648 0.1809 0.0808 11.00000 0.05 0.21 Q10 1 1.0610 0.6010 0.5217 11.00000 0.05 0.20 Q11 1 1.0008 0.5027 0.3401 11.00000 0.05 0.20 Q12 1 0.9520 0.5000 0.4396 11.00000 0.05 0.20 Q13 1 1.2496 0.4787 0.3983 11.00000 0.05 0.20 Q14 1 1.6998 0.6605 0.7791 11.00000 0.05 0.19 Q15 1 0.4737 0.8983 0.5388 11.00000 0.05 0.19 Q16 1 0.0188 0.0790 0.0580 11.00000 0.05 0.19 Q17 1 0.8736 0.9636 0.7437 11.00000 0.05 0.19 Q18 1 0.3512 0.1564 0.0241 11.00000 0.05 0.18 Q19 1 0.8521 0.4223 0.0485 11.00000 0.05 0.18 Q20 1 0.2838 0.9151 0.6777 11.00000 0.05 0.18 ; _shelx_res_checksum 72559 _shelx_hkl_file ; -1 0 0 18.70 1.20 1 0 0 14.20 1.00 1 0 0 9.90 0.90 -2 0 0 736.63 20.40 -2 0 0 718.93 19.80 -2 0 0 734.63 20.50 -2 0 0 723.53 20.50 -2 0 0 743.33 20.10 -2 0 0 727.43 20.30 2 0 0 727.73 20.10 2 0 0 731.23 19.80 2 0 0 740.73 20.50 2 0 0 763.52 20.50 2 0 0 728.93 20.30 -3 0 0 32.20 2.60 -3 0 0 32.40 2.00 -3 0 0 26.40 2.20 -3 0 0 32.50 2.60 -3 0 0 36.00 2.60 -3 0 0 28.80 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71.49 5.40 -6 -4 0 64.19 5.30 6 4 0 59.89 4.90 -7 -4 0 14.40 3.60 -7 -4 0 17.40 3.60 -7 -4 0 17.40 4.30 7 4 0 12.80 3.40 -8 -4 0 8.10 3.80 -8 -4 0 1.40 3.40 -8 -4 0 9.90 5.10 -9 -4 0 4.80 4.70 -9 -4 0 9.30 4.00 -11 5 0 0.90 4.00 -11 5 0 -1.20 4.30 -10 5 0 3.10 4.10 -10 5 0 -1.30 3.20 9 -5 0 0.90 2.50 -9 5 0 3.70 3.40 -9 5 0 1.70 4.00 8 -5 0 2.30 2.10 -8 5 0 0.60 2.80 -8 5 0 -2.50 2.80 7 -5 0 10.90 2.70 7 -5 0 17.30 3.20 7 -5 0 12.40 1.30 -7 5 0 12.40 3.20 -7 5 0 14.80 3.20 6 -5 0 15.60 1.50 6 -5 0 14.00 2.70 6 -5 0 13.70 1.40 6 -5 0 10.10 2.30 -6 5 0 15.30 3.00 -6 5 0 14.70 2.50 -6 5 0 18.60 3.20 5 -5 0 2.70 1.90 5 -5 0 2.50 1.00 5 -5 0 3.40 2.00 5 -5 0 4.20 2.00 -5 5 0 3.40 1.90 -5 5 0 2.20 1.90 -5 5 0 4.20 2.10 4 -5 0 30.80 3.00 4 -5 0 31.30 3.00 4 -5 0 27.70 2.00 4 -5 0 26.40 2.80 -4 5 0 28.30 3.10 -4 5 0 27.40 2.90 -4 5 0 30.00 2.90 3 -5 0 58.79 3.40 3 -5 0 55.49 2.80 3 -5 0 52.19 3.30 3 -5 0 53.59 3.50 -3 5 0 55.69 3.40 -3 5 0 50.29 3.30 -3 5 0 52.99 3.80 -3 5 0 50.29 2.90 -3 5 0 51.09 2.60 2 -5 0 34.60 2.50 2 -5 0 31.70 2.70 2 -5 0 27.80 2.50 2 -5 0 28.50 2.50 2 -5 0 30.90 2.70 -2 5 0 29.90 2.10 -2 5 0 28.50 2.80 -2 5 0 34.20 2.70 -2 5 0 28.00 2.50 -2 5 0 28.90 2.50 -2 5 0 31.30 2.30 1 -5 0 5.00 1.50 1 -5 0 5.40 1.70 1 -5 0 1.30 1.30 1 -5 0 2.90 1.50 1 -5 0 4.40 1.80 -1 5 0 2.60 1.30 -1 5 0 4.80 1.40 -1 5 0 3.10 1.30 -1 5 0 2.00 1.50 -1 5 0 6.80 1.80 0 -5 0 313.07 9.80 0 -5 0 305.37 10.10 0 -5 0 316.67 9.90 0 -5 0 330.87 10.30 0 -5 0 316.07 9.70 0 5 0 320.07 10.10 0 5 0 321.07 9.90 0 5 0 302.47 8.80 0 5 0 323.17 9.70 0 5 0 320.47 9.80 -1 -5 0 36.50 2.70 -1 -5 0 43.40 2.90 -1 -5 0 40.60 2.40 -1 -5 0 41.30 1.90 -1 -5 0 42.30 3.20 1 5 0 48.40 2.50 1 5 0 43.20 2.80 1 5 0 44.00 2.70 1 5 0 41.40 2.00 -2 -5 0 33.30 2.00 -2 -5 0 28.60 3.00 -2 -5 0 35.20 3.00 -2 -5 0 36.10 2.80 -2 -5 0 35.40 2.20 2 5 0 34.60 2.20 2 5 0 40.40 2.80 2 5 0 35.60 2.00 -3 -5 0 19.70 2.50 -3 -5 0 15.60 2.20 -3 -5 0 19.60 2.10 -3 -5 0 21.00 2.80 3 5 0 16.70 2.00 3 5 0 20.50 2.40 3 5 0 18.30 1.20 -4 -5 0 13.90 2.50 -4 -5 0 19.70 3.00 -4 -5 0 14.60 2.40 4 5 0 14.20 2.20 4 5 0 14.80 2.20 -5 -5 0 63.39 5.00 -5 -5 0 61.49 5.00 -5 -5 0 63.59 4.80 5 5 0 59.39 4.50 5 5 0 65.89 4.30 -6 -5 0 1.00 2.80 -6 -5 0 0.80 2.70 -6 -5 0 0.70 2.50 6 5 0 1.20 2.30 -7 -5 0 7.10 3.30 -7 -5 0 -0.40 2.90 -7 -5 0 1.50 3.60 7 5 0 3.00 2.70 -8 -5 0 27.30 6.50 -8 -5 0 16.40 4.90 -8 -5 0 8.60 3.90 -9 -5 0 3.50 3.90 -9 -5 0 -1.10 4.50 -11 6 0 -2.30 4.80 -11 6 0 1.30 4.20 -10 6 0 -1.60 4.30 -10 6 0 0.40 3.80 9 -6 0 7.90 2.90 -9 6 0 10.50 3.70 -9 6 0 3.50 4.10 8 -6 0 1.50 2.60 -8 6 0 3.90 3.10 -8 6 0 2.90 3.20 7 -6 0 7.80 2.40 7 -6 0 7.10 1.20 -7 6 0 8.80 3.00 -7 6 0 4.10 2.80 6 -6 0 5.60 1.20 6 -6 0 4.70 2.00 6 -6 0 5.40 2.40 -6 6 0 1.10 2.10 -6 6 0 4.70 2.50 -6 6 0 6.80 2.20 5 -6 0 22.70 2.00 5 -6 0 24.40 3.20 5 -6 0 23.70 3.00 -5 6 0 22.60 2.90 -5 6 0 18.60 3.00 -5 6 0 25.60 3.20 4 -6 0 42.40 2.60 4 -6 0 44.90 3.60 4 -6 0 37.70 3.30 4 -6 0 39.90 3.50 -4 6 0 38.00 3.70 -4 6 0 39.00 3.40 -4 6 0 40.20 3.20 3 -6 0 14.30 1.90 3 -6 0 12.00 2.20 3 -6 0 19.00 2.40 3 -6 0 18.40 2.50 -3 6 0 17.40 2.60 -3 6 0 17.40 2.30 -3 6 0 19.20 2.00 -3 6 0 18.40 2.10 -3 6 0 18.50 2.40 2 -6 0 2.40 1.60 2 -6 0 4.40 1.80 2 -6 0 2.80 1.60 2 -6 0 6.10 1.80 -2 6 0 5.30 1.70 -2 6 0 5.60 1.90 -2 6 0 5.30 1.70 -2 6 0 5.60 1.20 -2 6 0 3.90 1.50 1 -6 0 1.10 1.60 1 -6 0 3.20 1.40 1 -6 0 3.70 1.50 1 -6 0 3.30 1.50 -1 6 0 2.00 1.50 -1 6 0 4.00 1.50 -1 6 0 4.20 1.80 -1 6 0 1.90 1.40 -1 6 0 4.70 1.60 0 -6 0 131.69 5.10 0 -6 0 130.69 5.30 0 -6 0 126.89 5.20 0 -6 0 119.89 5.50 0 6 0 131.69 5.00 0 6 0 137.89 5.20 0 6 0 124.19 5.10 0 6 0 125.49 3.90 -1 -6 0 64.39 2.50 -1 -6 0 67.99 3.30 -1 -6 0 71.49 3.70 -1 -6 0 65.59 3.70 -1 -6 0 74.69 4.50 1 6 0 76.59 3.40 1 6 0 64.19 2.60 1 6 0 63.29 3.50 -2 -6 0 0.90 1.90 -2 -6 0 1.30 0.90 -2 -6 0 0.60 1.40 -2 -6 0 0.60 1.40 -2 -6 0 0.30 1.00 2 6 0 1.00 1.00 2 6 0 -0.20 1.00 2 6 0 -0.80 1.40 -3 -6 0 16.40 2.50 -3 -6 0 19.50 2.60 -3 -6 0 13.10 1.80 -3 -6 0 14.70 3.00 3 6 0 15.70 2.20 3 6 0 12.90 1.20 3 6 0 17.00 2.00 -4 -6 0 5.80 2.00 -4 -6 0 3.20 2.10 -4 -6 0 6.30 2.60 4 6 0 5.70 1.80 4 6 0 3.70 1.70 -5 -6 0 25.80 4.00 -5 -6 0 21.00 3.70 -5 -6 0 19.30 3.30 5 6 0 23.00 3.00 -6 -6 0 17.50 3.90 -6 -6 0 8.80 3.90 -6 -6 0 17.40 3.70 6 6 0 11.60 2.70 -7 -6 0 4.00 4.00 -7 -6 0 8.80 3.70 -7 -6 0 2.40 3.30 -8 -6 0 2.80 3.60 -8 -6 0 -4.80 3.80 -11 7 0 -5.70 4.80 -11 7 0 3.40 4.60 -10 7 0 1.00 4.70 -10 7 0 2.70 3.70 9 -7 0 4.20 2.80 -9 7 0 6.70 3.60 -9 7 0 0.50 4.10 8 -7 0 4.80 3.00 -8 7 0 1.20 3.60 -8 7 0 3.80 2.90 7 -7 0 0.00 2.60 7 -7 0 -0.20 1.10 7 -7 0 2.60 2.20 -7 7 0 1.40 2.80 -7 7 0 -1.40 2.40 6 -7 0 4.80 1.40 6 -7 0 3.20 2.00 6 -7 0 1.60 2.40 -6 7 0 6.70 2.60 -6 7 0 5.20 2.30 -6 7 0 2.80 2.40 5 -7 0 65.09 3.40 5 -7 0 72.09 4.40 5 -7 0 81.49 5.10 -5 7 0 72.59 4.60 -5 7 0 66.19 4.80 -5 7 0 62.69 4.20 4 -7 0 10.20 2.30 4 -7 0 9.10 1.80 4 -7 0 11.20 2.40 4 -7 0 11.20 2.20 -4 7 0 10.10 2.60 -4 7 0 7.30 2.20 -4 7 0 10.00 1.70 -4 7 0 9.80 2.10 3 -7 0 103.29 5.10 3 -7 0 101.69 4.70 3 -7 0 102.69 5.20 3 -7 0 111.79 5.10 -3 7 0 108.29 5.50 -3 7 0 104.99 5.00 -3 7 0 107.69 4.50 -3 7 0 100.09 4.40 -3 7 0 103.09 5.10 2 -7 0 1.60 1.50 2 -7 0 -1.40 1.80 2 -7 0 4.50 1.70 2 -7 0 4.30 1.90 -2 7 0 1.20 1.10 -2 7 0 1.60 1.80 -2 7 0 1.10 1.60 -2 7 0 0.40 1.40 1 -7 0 0.50 1.90 1 -7 0 -3.00 1.50 1 -7 0 -0.80 1.30 1 -7 0 2.50 1.60 -1 7 0 -0.50 1.30 -1 7 0 1.40 1.70 -1 7 0 0.70 1.30 0 -7 0 -1.30 1.30 0 -7 0 1.20 1.50 0 -7 0 0.10 1.80 0 -7 0 -2.00 1.30 0 7 0 0.50 1.40 0 7 0 -0.90 1.50 0 7 0 -0.80 0.60 -1 -7 0 10.00 1.00 -1 -7 0 9.10 2.00 -1 -7 0 8.00 2.30 -1 -7 0 10.50 2.00 -1 -7 0 10.20 1.70 1 7 0 9.50 1.60 1 7 0 6.80 1.90 1 7 0 8.80 1.00 -2 -7 0 33.30 2.00 -2 -7 0 31.80 3.30 -2 -7 0 31.00 2.40 -2 -7 0 30.70 3.00 -2 -7 0 29.80 3.60 2 7 0 33.60 2.00 2 7 0 35.50 3.00 2 7 0 35.70 2.40 -3 -7 0 30.90 2.40 -3 -7 0 31.80 3.30 -3 -7 0 32.50 3.30 -3 -7 0 39.00 4.30 3 7 0 26.10 2.80 3 7 0 28.50 2.30 3 7 0 28.10 1.90 -4 -7 0 35.70 4.50 -4 -7 0 23.90 3.30 4 7 0 30.80 2.90 -5 -7 0 16.90 3.90 -5 -7 0 15.30 3.40 5 7 0 19.10 2.70 -6 -7 0 6.60 3.50 -6 -7 0 5.60 3.80 -6 -7 0 8.70 3.60 6 7 0 7.00 2.40 -7 -7 0 0.40 3.30 -7 -7 0 0.10 3.50 -7 -7 0 2.10 4.10 -8 -7 0 10.70 4.40 -8 -7 0 14.90 4.90 -11 8 0 -1.50 4.30 10 -8 0 3.20 4.10 -10 8 0 0.50 4.20 -10 8 0 7.10 4.30 9 -8 0 0.10 2.90 -9 8 0 2.80 3.30 -9 8 0 -1.70 3.90 8 -8 0 3.70 3.20 -8 8 0 -1.60 3.10 -8 8 0 2.90 3.00 7 -8 0 8.80 2.50 7 -8 0 -1.00 2.80 7 -8 0 7.00 2.60 -7 8 0 9.40 3.30 -7 8 0 9.90 3.20 6 -8 0 8.40 2.40 6 -8 0 3.80 2.40 6 -8 0 6.60 1.60 -6 8 0 10.30 2.80 -6 8 0 1.60 2.20 -6 8 0 11.50 3.10 5 -8 0 2.10 1.50 5 -8 0 0.80 2.30 5 -8 0 3.80 1.90 -5 8 0 1.30 1.80 -5 8 0 1.70 2.00 -5 8 0 1.70 2.50 4 -8 0 2.60 2.30 4 -8 0 4.90 2.10 4 -8 0 3.80 1.80 -4 8 0 6.80 2.40 -4 8 0 5.20 2.20 -4 8 0 2.00 1.80 3 -8 0 9.40 2.30 3 -8 0 6.50 2.00 3 -8 0 7.00 2.00 3 -8 0 9.80 2.40 -3 8 0 8.10 2.30 -3 8 0 9.60 2.10 -3 8 0 4.30 2.20 -3 8 0 7.40 1.50 2 -8 0 6.30 1.90 2 -8 0 3.50 2.00 2 -8 0 6.10 2.00 2 -8 0 5.90 2.20 -2 8 0 2.50 1.70 -2 8 0 3.10 2.00 -2 8 0 4.40 1.20 1 -8 0 358.16 12.10 1 -8 0 366.56 11.80 1 -8 0 348.67 11.70 1 -8 0 346.37 11.60 -1 8 0 358.96 11.70 -1 8 0 343.77 10.20 -1 8 0 357.56 12.10 -1 8 0 363.76 10.20 0 -8 0 14.10 2.10 0 -8 0 15.20 2.50 0 -8 0 15.10 2.30 0 -8 0 12.90 2.60 0 8 0 13.50 2.30 0 8 0 12.10 1.00 -1 -8 0 43.70 3.60 -1 -8 0 35.10 3.80 -1 -8 0 38.50 3.00 -1 -8 0 39.50 3.40 1 8 0 40.20 1.80 1 8 0 44.00 3.40 -2 -8 0 -0.70 2.20 -2 -8 0 5.00 2.00 -2 -8 0 2.90 1.00 -2 -8 0 5.20 2.00 -2 -8 0 4.20 1.40 2 8 0 5.00 1.50 2 8 0 4.20 1.80 2 8 0 4.30 1.00 -3 -8 0 7.50 2.20 -3 -8 0 7.70 3.20 -3 -8 0 13.00 2.80 -3 -8 0 9.30 1.60 3 8 0 8.80 1.50 3 8 0 6.90 1.30 3 8 0 9.40 2.20 -4 -8 0 51.89 4.90 -4 -8 0 67.69 6.20 4 8 0 67.49 3.70 -5 -8 0 1.50 2.80 -5 -8 0 1.40 3.30 5 8 0 0.10 1.60 -6 -8 0 14.00 4.10 -6 -8 0 19.80 4.50 -6 -8 0 16.30 4.00 -7 -8 0 0.30 3.70 -7 -8 0 8.50 4.00 -7 -8 0 0.70 3.40 10 -9 0 2.00 3.50 -10 9 0 6.10 4.10 -10 9 0 5.40 4.80 9 -9 0 -0.30 3.40 -9 9 0 0.40 3.00 -9 9 0 3.20 4.10 8 -9 0 2.10 3.40 -8 9 0 1.60 3.20 -8 9 0 2.60 3.40 7 -9 0 17.10 3.10 7 -9 0 12.70 3.40 -7 9 0 19.60 3.50 -7 9 0 22.60 4.30 6 -9 0 -0.30 2.40 6 -9 0 4.70 2.30 6 -9 0 3.10 1.60 -6 9 0 2.20 2.80 -6 9 0 -0.20 2.20 5 -9 0 23.30 2.70 5 -9 0 23.10 3.60 5 -9 0 22.10 3.20 -5 9 0 21.00 3.60 -5 9 0 24.40 3.20 4 -9 0 1.20 1.80 4 -9 0 6.20 2.40 4 -9 0 3.10 2.20 -4 9 0 4.90 2.10 -4 9 0 1.00 2.40 3 -9 0 -0.50 1.80 3 -9 0 -0.80 1.50 3 -9 0 -0.70 1.70 3 -9 0 -0.90 1.60 -3 9 0 -0.20 1.90 -3 9 0 0.80 1.20 -3 9 0 0.30 1.70 2 -9 0 2.70 2.00 2 -9 0 1.30 1.90 2 -9 0 0.80 1.70 2 -9 0 4.50 2.00 -2 9 0 2.00 1.00 -2 9 0 4.10 1.80 -2 9 0 1.00 2.00 1 -9 0 27.40 3.50 1 -9 0 25.50 2.90 1 -9 0 29.30 3.20 1 -9 0 23.30 2.90 -1 9 0 26.80 3.30 -1 9 0 28.70 3.10 -1 9 0 26.30 1.70 -1 9 0 29.00 1.70 0 -9 0 37.90 4.00 0 -9 0 37.90 3.60 0 -9 0 40.10 3.40 0 -9 0 42.00 3.50 0 9 0 43.10 1.70 0 9 0 41.50 3.30 -1 -9 0 2.40 2.60 -1 -9 0 0.30 1.90 -1 -9 0 -0.60 1.40 -1 -9 0 -0.60 1.50 1 9 0 0.60 1.60 1 9 0 0.60 0.60 -2 -9 0 79.09 4.00 -2 -9 0 80.69 6.00 -2 -9 0 82.39 5.20 -2 -9 0 77.69 4.90 -2 -9 0 70.99 3.00 2 9 0 77.89 3.10 2 9 0 82.99 4.70 -3 -9 0 32.90 4.50 -3 -9 0 34.70 4.20 3 9 0 34.50 2.40 -4 -9 0 0.90 2.50 -4 -9 0 4.80 3.50 -5 -9 0 11.80 3.80 -5 -9 0 5.90 3.80 -6 -9 0 9.40 3.80 -6 -9 0 16.00 4.70 -6 -9 0 8.30 3.70 -7 -9 0 12.90 4.50 -7 -9 0 6.30 4.00 -7 -9 0 10.70 5.10 10 -10 0 8.90 4.20 -10 10 0 4.80 4.30 -10 10 0 3.80 4.10 9 -10 0 -3.40 3.60 -9 10 0 1.60 3.30 -9 10 0 4.60 4.50 8 -10 0 2.60 3.60 -8 10 0 10.20 3.50 -8 10 0 12.80 4.50 7 -10 0 27.90 4.60 7 -10 0 19.80 3.50 -7 10 0 22.10 4.40 -7 10 0 22.00 3.90 6 -10 0 6.70 2.10 6 -10 0 11.20 3.30 6 -10 0 10.60 2.90 -6 10 0 8.10 3.30 -6 10 0 7.80 2.90 5 -10 0 4.50 2.20 5 -10 0 5.50 2.10 5 -10 0 2.90 2.50 -5 10 0 9.50 3.30 -5 10 0 6.40 2.50 4 -10 0 93.39 5.40 4 -10 0 87.09 5.60 4 -10 0 94.59 5.20 -4 10 0 100.49 5.60 -4 10 0 101.89 6.00 3 -10 0 5.30 2.20 3 -10 0 5.00 2.10 3 -10 0 2.40 2.30 3 -10 0 2.50 2.10 -3 10 0 4.80 2.10 -3 10 0 3.80 1.40 -3 10 0 2.00 2.30 2 -10 0 37.20 3.80 2 -10 0 25.90 3.10 2 -10 0 29.50 3.70 2 -10 0 27.10 3.30 -2 10 0 27.50 3.10 -2 10 0 30.20 3.80 -2 10 0 29.60 2.10 1 -10 0 48.40 4.70 1 -10 0 56.09 4.10 1 -10 0 50.09 4.00 1 -10 0 49.00 3.90 -1 10 0 47.80 3.60 -1 10 0 50.19 2.20 -1 10 0 45.20 2.10 0 -10 0 18.00 3.30 0 -10 0 20.00 3.10 0 -10 0 17.90 2.60 0 -10 0 18.10 2.80 0 10 0 19.40 2.70 -1 -10 0 4.70 2.40 -1 -10 0 7.90 3.30 -1 -10 0 1.20 1.70 -1 -10 0 6.00 1.90 1 10 0 4.20 1.80 -2 -10 0 293.37 12.30 -2 -10 0 296.87 11.30 -2 -10 0 303.07 10.10 -3 -10 0 24.00 4.80 -3 -10 0 25.50 4.00 -4 -10 0 23.50 4.60 -4 -10 0 30.60 4.40 -5 -10 0 10.40 3.80 -5 -10 0 3.70 4.10 -6 -10 0 9.00 4.20 -6 -10 0 6.40 3.90 -6 -10 0 1.90 4.20 10 -11 0 -1.00 3.90 -10 11 0 -4.20 4.20 9 -11 0 5.50 4.20 -9 11 0 4.50 4.20 -9 11 0 2.50 3.60 8 -11 0 9.40 3.70 -8 11 0 9.00 4.80 -8 11 0 11.50 3.70 7 -11 0 25.80 4.60 -7 11 0 32.50 5.40 -7 11 0 41.80 4.70 6 -11 0 141.69 6.60 6 -11 0 139.39 7.90 6 -11 0 150.88 7.70 -6 11 0 140.39 7.40 -6 11 0 140.19 8.20 5 -11 0 0.10 2.50 5 -11 0 -2.00 2.10 5 -11 0 -0.10 2.10 -5 11 0 4.60 3.10 -5 11 0 0.20 2.00 4 -11 0 0.40 2.00 4 -11 0 -1.90 2.10 4 -11 0 1.80 2.30 -4 11 0 2.70 2.50 -4 11 0 -1.00 1.90 3 -11 0 43.90 4.30 3 -11 0 36.90 3.90 3 -11 0 48.80 4.50 3 -11 0 48.50 4.70 -3 11 0 50.89 4.50 -3 11 0 39.90 3.00 -3 11 0 40.50 4.70 2 -11 0 71.09 5.40 2 -11 0 71.09 5.10 2 -11 0 69.19 4.90 2 -11 0 82.39 5.00 -2 11 0 65.59 3.00 -2 11 0 64.19 5.10 -2 11 0 75.39 4.60 1 -11 0 3.80 2.10 1 -11 0 0.10 1.90 1 -11 0 -0.10 2.10 1 -11 0 3.30 2.50 -1 11 0 1.80 0.70 -1 11 0 2.10 1.90 -1 11 0 1.10 0.70 0 -11 0 25.80 3.60 0 -11 0 28.60 4.40 0 -11 0 30.80 5.20 0 -11 0 24.10 3.20 0 11 0 25.10 3.20 -1 -11 0 15.30 2.60 -1 -11 0 14.20 3.10 -1 -11 0 8.50 3.30 -2 -11 0 113.39 7.80 -2 -11 0 106.79 5.40 -2 -11 0 111.49 6.60 -3 -11 0 18.50 4.80 -3 -11 0 15.10 3.60 -4 -11 0 4.60 4.10 -4 -11 0 6.10 3.40 -5 -11 0 7.80 3.90 -5 -11 0 11.30 4.40 -6 -11 0 11.20 5.00 -6 -11 0 30.40 5.70 -6 -11 0 21.50 5.30 10 -12 0 2.50 4.30 -10 12 0 4.60 5.50 9 -12 0 27.20 5.20 -9 12 0 28.80 5.80 8 -12 0 -1.80 3.30 -8 12 0 -5.70 4.10 -8 12 0 -1.80 2.80 7 -12 0 3.70 3.60 -7 12 0 9.40 4.00 -7 12 0 7.40 3.10 6 -12 0 58.49 5.60 6 -12 0 31.80 4.80 6 -12 0 43.50 4.20 -6 12 0 36.40 4.30 -6 12 0 42.60 5.40 5 -12 0 -1.40 2.00 5 -12 0 0.30 3.00 5 -12 0 -1.00 2.30 -5 12 0 1.60 2.30 -5 12 0 -0.10 2.90 4 -12 0 10.90 3.00 4 -12 0 13.60 3.70 4 -12 0 9.30 3.10 -4 12 0 13.90 3.50 -4 12 0 11.00 2.90 3 -12 0 100.49 6.50 3 -12 0 96.19 6.00 3 -12 0 107.09 6.70 -3 12 0 110.29 6.70 -3 12 0 96.89 5.70 2 -12 0 3.80 2.40 2 -12 0 1.70 2.40 2 -12 0 2.70 3.10 -2 12 0 1.40 1.00 -2 12 0 2.20 1.90 -2 12 0 1.50 2.50 1 -12 0 12.60 2.80 1 -12 0 8.30 2.90 1 -12 0 8.40 3.20 -1 12 0 6.60 2.30 0 -12 0 39.70 4.20 0 -12 0 46.10 5.30 0 -12 0 39.10 4.50 -1 -12 0 8.40 3.00 -1 -12 0 5.50 3.40 -1 -12 0 8.50 2.40 -2 -12 0 154.48 8.20 -2 -12 0 134.69 9.20 -2 -12 0 153.28 6.80 -3 -12 0 -3.00 4.00 -3 -12 0 4.40 3.30 -4 -12 0 0.80 4.30 -4 -12 0 9.90 4.20 -5 -12 0 10.70 4.50 -5 -12 0 10.80 4.90 9 -13 0 14.90 5.20 -9 13 0 13.10 5.50 8 -13 0 5.00 4.20 -8 13 0 0.00 4.10 7 -13 0 11.50 4.10 -7 13 0 12.60 4.90 -7 13 0 16.50 4.30 6 -13 0 -0.30 2.50 6 -13 0 -1.90 2.90 6 -13 0 0.00 2.30 -6 13 0 -1.40 2.30 -6 13 0 2.30 3.60 5 -13 0 -1.00 2.60 5 -13 0 0.50 2.60 5 -13 0 -6.70 2.50 -5 13 0 -0.40 2.00 -5 13 0 -1.60 2.90 4 -13 0 9.00 2.90 4 -13 0 8.20 3.30 4 -13 0 8.20 3.30 -4 13 0 12.20 3.80 -4 13 0 10.20 2.90 3 -13 0 16.40 3.30 3 -13 0 20.00 4.10 3 -13 0 16.20 3.50 -3 13 0 13.30 3.70 -3 13 0 11.80 2.90 2 -13 0 21.30 4.40 2 -13 0 9.80 3.10 2 -13 0 15.00 3.30 1 -13 0 3.60 3.60 1 -13 0 3.30 2.60 1 -13 0 -1.20 2.50 0 -13 0 75.19 5.40 0 -13 0 73.69 6.10 0 -13 0 69.09 7.10 -1 -13 0 98.99 6.10 -1 -13 0 99.89 7.10 -1 -13 0 107.19 8.30 -2 -13 0 4.80 3.20 -2 -13 0 1.90 3.90 -3 -13 0 2.70 3.70 -3 -13 0 0.20 4.40 -4 -13 0 10.00 4.50 -4 -13 0 16.70 4.70 9 -14 0 11.10 5.30 -9 14 0 19.10 5.80 8 -14 0 5.50 4.70 -8 14 0 8.20 4.80 7 -14 0 3.40 4.30 -7 14 0 4.40 4.10 6 -14 0 -0.60 2.90 6 -14 0 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13.80 4.10 2 -18 4 10.00 4.70 3 -18 4 0.70 3.30 3 -18 4 -6.00 4.10 -4 18 -4 6.80 4.20 4 -18 4 -2.60 4.20 4 -18 4 8.30 4.20 -5 18 -4 12.80 5.30 5 -18 4 13.00 4.70 5 -18 4 9.10 5.60 -6 18 -4 4.70 4.30 6 -18 4 -0.30 3.60 -2 -17 4 -1.90 4.30 -1 -17 4 10.10 4.40 -1 -17 4 8.40 4.80 0 -17 4 37.10 5.70 0 -17 4 11.80 4.70 1 -17 4 3.90 4.60 1 -17 4 1.00 5.50 1 -17 4 3.00 3.30 2 -17 4 97.89 7.50 2 -17 4 84.29 7.60 -3 17 -4 12.30 4.60 3 -17 4 3.80 4.30 3 -17 4 10.20 3.70 -4 17 -4 6.80 4.50 4 -17 4 0.30 3.70 4 -17 4 0.70 3.30 -5 17 -4 0.30 3.90 5 -17 4 2.40 3.60 5 -17 4 2.60 3.40 -6 17 -4 14.70 5.00 6 -17 4 21.90 5.20 -7 17 -4 -0.90 4.20 7 -17 4 11.90 4.50 -3 -16 4 -5.00 3.60 -2 -16 4 -2.50 4.30 -2 -16 4 6.50 4.00 -1 -16 4 6.40 4.40 -1 -16 4 5.80 3.80 0 -16 4 34.00 4.90 0 -16 4 18.10 4.80 1 -16 4 0.40 2.70 1 -16 4 0.90 4.10 1 -16 4 3.90 3.20 2 -16 4 32.00 4.60 2 -16 4 33.40 4.60 2 -16 4 34.10 5.30 -3 16 -4 -0.30 3.70 3 -16 4 5.60 4.10 3 -16 4 3.20 3.20 -4 16 -4 20.00 4.80 4 -16 4 20.80 4.30 4 -16 4 23.40 4.60 -5 16 -4 20.90 5.20 5 -16 4 15.90 4.10 5 -16 4 17.70 4.10 -6 16 -4 13.30 4.60 6 -16 4 14.60 4.50 -7 16 -4 7.30 4.60 7 -16 4 10.60 4.20 -8 16 -4 10.70 5.10 8 -16 4 9.40 4.30 -4 -15 4 -3.80 3.80 -3 -15 4 1.30 4.00 -3 -15 4 0.40 4.50 -2 -15 4 23.90 4.70 -2 -15 4 19.40 5.50 -1 -15 4 13.30 4.40 -1 -15 4 3.30 3.20 0 -15 4 22.40 4.10 0 -15 4 20.70 4.70 1 -15 4 13.20 3.50 1 -15 4 18.60 5.00 1 -15 4 14.10 3.30 -2 15 -4 1.80 3.60 2 -15 4 0.10 2.10 2 -15 4 -2.60 3.10 2 -15 4 2.90 3.00 -3 15 -4 3.30 3.30 -3 15 -4 -0.20 2.30 -3 15 -4 -1.90 2.40 3 -15 4 3.80 3.20 3 -15 4 -3.70 2.00 3 -15 4 2.10 3.60 -4 15 -4 -0.60 2.50 -4 15 -4 1.70 3.60 4 -15 4 -1.30 3.00 4 -15 4 1.90 2.90 -5 15 -4 3.40 2.60 -5 15 -4 3.30 3.60 5 -15 4 -0.10 2.70 5 -15 4 2.50 3.20 -6 15 -4 15.80 5.10 -6 15 -4 15.60 3.70 6 -15 4 11.00 3.80 -7 15 -4 2.60 3.10 -7 15 -4 6.70 4.80 7 -15 4 5.90 4.30 -8 15 -4 5.00 3.90 -8 15 -4 3.40 4.30 8 -15 4 -7.00 3.80 -9 15 -4 -0.90 4.00 9 -15 4 4.50 4.00 -4 -14 4 7.10 4.50 -4 -14 4 9.70 4.50 -3 -14 4 1.00 3.70 -3 -14 4 -2.20 3.30 -2 -14 4 9.40 4.20 -2 -14 4 8.70 3.80 -1 -14 4 -2.10 3.60 -1 -14 4 1.00 2.80 0 -14 4 107.09 6.90 0 -14 4 98.39 7.70 -1 14 -4 10.90 2.70 1 -14 4 1.20 2.30 1 -14 4 6.50 2.70 1 -14 4 1.30 3.60 -2 14 -4 14.30 3.90 -2 14 -4 8.40 1.90 -2 14 -4 12.00 3.00 2 -14 4 10.20 3.20 2 -14 4 6.20 2.70 2 -14 4 10.50 3.90 -3 14 -4 -4.00 2.60 -3 14 -4 0.40 2.30 -3 14 -4 0.70 1.50 3 -14 4 3.60 3.20 3 -14 4 0.20 2.40 3 -14 4 -2.80 2.60 -4 14 -4 2.30 2.60 -4 14 -4 0.40 3.00 4 -14 4 3.20 2.90 4 -14 4 -2.90 2.10 4 -14 4 1.60 2.70 -5 14 -4 3.10 2.60 -5 14 -4 -3.10 3.00 5 -14 4 4.90 3.00 5 -14 4 1.90 2.50 -6 14 -4 7.80 3.20 -6 14 -4 2.90 4.10 6 -14 4 3.00 3.30 -7 14 -4 -0.30 4.20 -7 14 -4 6.10 3.50 7 -14 4 -0.20 3.10 -8 14 -4 8.10 3.70 -8 14 -4 15.90 5.40 8 -14 4 15.70 4.50 -9 14 -4 -1.80 4.80 -9 14 -4 4.10 4.10 9 -14 4 7.80 4.50 -5 -13 4 -2.40 3.40 -5 -13 4 6.80 4.30 -4 -13 4 1.30 3.70 -4 -13 4 4.60 4.30 -3 -13 4 25.90 5.30 -3 -13 4 16.60 4.00 -2 -13 4 17.60 3.80 -2 -13 4 17.30 4.50 -1 -13 4 69.39 5.60 -1 -13 4 78.09 6.40 0 13 -4 32.70 2.60 0 13 -4 33.80 3.90 0 -13 4 37.60 4.60 0 -13 4 27.30 4.40 0 -13 4 36.90 4.10 -1 13 -4 -0.80 1.90 -1 13 -4 0.80 1.20 1 -13 4 1.00 2.70 1 -13 4 1.80 2.30 1 -13 4 -1.60 1.90 -2 13 -4 2.20 1.50 -2 13 -4 9.60 3.20 -2 13 -4 5.00 2.40 2 -13 4 -2.00 2.90 2 -13 4 2.70 2.20 2 -13 4 4.20 2.60 -3 13 -4 -1.20 2.60 -3 13 -4 7.00 2.60 3 -13 4 1.60 2.70 3 -13 4 2.50 2.10 3 -13 4 -2.00 2.60 -4 13 -4 3.40 3.00 -4 13 -4 3.90 2.60 4 -13 4 -0.60 2.20 4 -13 4 5.50 2.80 4 -13 4 3.30 2.70 -5 13 -4 9.50 3.70 -5 13 -4 6.60 2.90 5 -13 4 12.50 3.20 5 -13 4 12.40 3.70 5 -13 4 8.00 2.70 -6 13 -4 12.70 4.10 -6 13 -4 16.90 3.80 6 -13 4 14.10 3.80 -7 13 -4 3.90 4.30 -7 13 -4 4.00 3.00 7 -13 4 -4.70 3.20 -8 13 -4 -0.20 3.50 -8 13 -4 10.00 4.70 8 -13 4 9.90 3.70 -9 13 -4 1.10 3.70 -9 13 -4 2.90 5.10 9 -13 4 1.90 3.70 -10 13 -4 2.90 4.50 10 -13 4 1.40 4.00 -6 -12 4 1.10 4.10 -6 -12 4 3.60 4.50 -6 -12 4 1.40 4.40 -5 -12 4 3.30 4.00 -5 -12 4 11.60 4.30 -4 -12 4 2.30 4.00 -4 -12 4 7.20 3.40 -3 -12 4 -6.90 3.10 -3 -12 4 -0.60 2.80 2 12 -4 1.60 2.10 -2 -12 4 -0.60 3.20 -2 -12 4 2.80 2.60 1 12 -4 99.19 5.90 1 12 -4 97.49 4.30 -1 -12 4 92.79 6.20 -1 -12 4 82.29 6.30 0 12 -4 28.10 3.50 0 12 -4 22.60 2.20 0 -12 4 15.70 2.80 0 -12 4 24.60 3.70 0 -12 4 24.20 4.30 -1 12 -4 8.60 2.40 -1 12 -4 5.70 1.60 -1 12 -4 4.60 2.50 1 -12 4 8.90 3.20 1 -12 4 5.80 2.50 1 -12 4 12.50 3.00 -2 12 -4 27.40 4.00 -2 12 -4 21.80 3.40 -2 12 -4 22.80 2.50 2 -12 4 26.00 3.90 2 -12 4 17.70 3.10 2 -12 4 21.60 3.30 -3 12 -4 0.70 2.10 -3 12 -4 -0.70 2.30 3 -12 4 -1.40 2.00 3 -12 4 2.90 2.50 3 -12 4 2.10 2.10 -4 12 -4 -0.50 2.60 -4 12 -4 0.10 2.10 4 -12 4 2.70 2.10 4 -12 4 4.30 2.80 4 -12 4 4.30 2.40 -5 12 -4 12.30 3.10 -5 12 -4 8.60 3.40 5 -12 4 5.40 2.80 5 -12 4 4.90 2.30 5 -12 4 11.30 2.70 -6 12 -4 12.90 3.60 -6 12 -4 7.50 3.70 6 -12 4 12.70 3.70 6 -12 4 11.70 3.20 -7 12 -4 1.00 3.00 -7 12 -4 0.70 3.40 7 -12 4 6.30 3.60 -8 12 -4 16.80 4.10 -8 12 -4 19.30 5.00 8 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3.10 0 -16 -4 4.80 3.90 4 -17 -4 -11.50 4.40 4 -17 -4 1.10 3.90 4 -17 -4 -2.70 4.30 3 -17 -4 2.40 4.60 3 -17 -4 7.20 3.90 3 -17 -4 -0.30 3.60 1 -19 5 0.60 4.70 2 -19 5 25.00 5.90 3 -19 5 20.40 4.90 3 -19 5 22.90 5.70 -4 19 -5 4.80 4.20 4 -19 5 0.60 4.30 4 -19 5 1.40 3.60 -5 19 -5 21.70 5.60 5 -19 5 14.10 7.70 0 -18 5 74.39 8.10 1 -18 5 3.70 4.90 2 -18 5 -0.70 2.90 2 -18 5 2.10 4.40 -3 18 -5 -0.30 3.50 3 -18 5 2.10 4.20 3 -18 5 4.10 3.80 -4 18 -5 4.00 4.10 4 -18 5 -1.90 3.80 4 -18 5 -2.50 3.40 -5 18 -5 -3.60 3.70 5 -18 5 10.50 4.30 -6 18 -5 15.70 5.80 6 -18 5 7.80 4.00 -1 -17 5 9.60 4.70 0 -17 5 13.70 5.30 1 -17 5 -0.70 4.10 2 -17 5 -5.60 3.50 2 -17 5 0.30 3.20 -3 17 -5 1.80 3.80 3 -17 5 -0.30 3.30 3 -17 5 1.70 3.90 -4 17 -5 -1.90 3.60 4 -17 5 1.40 3.50 4 -17 5 -1.70 3.30 -5 17 -5 -3.20 4.20 5 -17 5 1.90 3.10 5 -17 5 3.40 3.80 -6 17 -5 -8.00 3.50 6 -17 5 8.60 4.00 -7 17 -5 7.70 4.80 7 -17 5 8.30 4.20 -3 -16 5 7.20 5.20 -3 -16 5 1.20 4.60 -2 -16 5 0.20 3.60 -2 -16 5 3.40 4.60 -1 -16 5 54.49 7.00 -1 -16 5 44.80 5.90 0 -16 5 17.10 3.90 0 -16 5 16.00 5.10 1 -16 5 3.20 3.70 1 -16 5 3.50 2.60 2 -16 5 26.20 4.90 2 -16 5 26.20 4.50 2 -16 5 30.20 7.30 -3 16 -5 -2.10 3.20 3 -16 5 0.40 2.80 3 -16 5 2.20 3.70 -4 16 -5 -2.10 3.70 -4 16 -5 0.60 2.50 4 -16 5 3.10 3.30 4 -16 5 -0.10 3.20 -5 16 -5 2.50 3.70 -5 16 -5 4.30 3.00 5 -16 5 3.80 3.70 5 -16 5 2.10 3.00 -6 16 -5 88.69 8.00 -6 16 -5 96.79 7.40 6 -16 5 71.19 7.40 -7 16 -5 13.30 4.30 -7 16 -5 21.60 5.30 7 -16 5 18.70 5.20 -8 16 -5 4.20 3.60 -8 16 -5 1.30 4.50 8 -16 5 9.20 4.80 -4 -15 5 14.60 4.60 -4 -15 5 19.80 6.30 -3 -15 5 7.90 4.70 -3 -15 5 1.90 3.70 -2 -15 5 18.30 4.80 -2 -15 5 25.80 4.80 -1 -15 5 -0.80 3.40 -1 -15 5 5.70 3.30 0 -15 5 5.70 2.90 0 -15 5 0.20 3.40 1 -15 5 70.79 5.70 1 -15 5 80.99 7.20 1 -15 5 85.99 6.30 -2 15 -5 4.70 3.50 -2 15 -5 1.90 2.40 2 -15 5 8.80 3.30 2 -15 5 5.00 3.80 2 -15 5 4.50 2.60 -3 15 -5 0.60 2.50 -3 15 -5 0.40 1.60 -3 15 -5 2.80 3.60 3 -15 5 -4.10 2.90 3 -15 5 -0.40 2.60 3 -15 5 4.70 2.60 -4 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29.80 3.20 7 2 -8 31.30 4.20 -7 -2 8 30.60 3.50 -7 -2 8 35.00 4.40 6 2 -8 10.80 3.20 6 2 -8 15.90 2.50 6 2 -8 23.00 3.50 -6 -2 8 17.60 2.40 -6 -2 8 16.30 3.00 5 2 -8 2.80 2.00 5 2 -8 0.90 1.70 5 2 -8 -1.00 1.80 5 2 -8 0.70 2.20 -5 -2 8 -1.40 1.20 -5 -2 8 2.10 2.00 4 2 -8 6.60 1.80 4 2 -8 3.30 1.80 4 2 -8 2.00 1.90 4 2 -8 4.10 2.00 -4 -2 8 4.50 1.90 -4 -2 8 3.90 1.20 3 2 -8 17.90 2.70 3 2 -8 13.80 2.10 3 2 -8 14.40 2.30 3 2 -8 14.60 2.30 -3 -2 8 13.60 1.20 -3 -2 8 14.40 2.10 2 2 -8 1.30 1.50 2 2 -8 0.30 1.40 2 2 -8 3.80 1.40 2 2 -8 0.80 1.20 -2 -2 8 0.20 0.30 1 2 -8 238.78 7.60 1 2 -8 238.08 7.60 1 2 -8 251.57 8.30 1 2 -8 236.08 8.20 1 2 -8 244.88 6.90 -1 -2 8 241.18 7.50 0 2 -8 -0.20 0.90 0 2 -8 0.80 0.80 0 2 -8 2.50 1.40 0 2 -8 1.10 0.80 0 -2 8 0.90 1.30 0 -2 8 0.50 0.70 0 -2 8 0.00 0.70 -1 2 -8 47.60 1.80 -1 2 -8 47.60 1.80 -1 2 -8 45.50 2.80 -1 2 -8 54.59 3.40 -2 2 -8 41.10 1.70 -2 2 -8 46.60 2.80 -2 2 -8 41.90 1.70 -2 2 -8 47.60 3.20 -3 2 -8 21.20 1.70 -3 2 -8 19.20 2.70 -3 2 -8 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54.49 5.20 4 10 -10 45.40 4.80 -4 -10 10 36.60 4.40 -4 -10 10 39.90 5.10 3 10 -10 0.30 2.30 3 10 -10 5.00 2.50 -3 -10 10 8.10 3.20 -3 -10 10 10.00 2.70 2 10 -10 17.80 3.10 2 10 -10 12.30 2.70 2 10 -10 16.50 3.00 -2 -10 10 13.70 2.70 -2 -10 10 11.40 3.10 1 10 -10 3.80 2.20 1 10 -10 -0.50 1.90 1 10 -10 -0.60 1.60 -1 -10 10 -1.70 1.70 -1 -10 10 -0.30 2.10 0 10 -10 46.20 3.50 0 10 -10 46.80 3.30 0 10 -10 51.49 4.20 0 10 -10 43.60 4.10 0 -10 10 45.00 4.50 0 -10 10 44.50 3.70 -1 10 -10 56.39 4.00 -1 10 -10 56.79 4.20 -1 10 -10 63.99 4.20 -1 10 -10 56.89 4.20 1 -10 10 59.99 4.60 1 -10 10 57.79 3.80 -2 10 -10 2.20 2.00 -2 10 -10 4.30 1.90 -2 10 -10 3.40 2.10 -2 10 -10 1.70 1.60 2 -10 10 0.40 0.70 2 -10 10 5.90 2.20 -3 10 -10 4.30 2.00 -3 10 -10 4.20 2.40 -3 10 -10 2.50 1.70 3 -10 10 4.70 1.60 3 -10 10 5.30 1.80 -4 10 -10 7.00 2.70 -4 10 -10 8.00 2.20 -4 10 -10 5.60 2.20 -5 10 -10 7.10 2.40 -5 10 -10 5.20 3.40 -6 10 -10 4.70 3.80 -6 10 -10 2.50 2.50 -7 10 -10 -0.30 3.90 -7 10 -10 3.10 2.70 -8 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4.10 1.80 -3 9 -10 4.70 2.30 -3 9 -10 3.10 1.80 3 -9 10 2.00 1.40 -4 9 -10 22.20 2.30 -4 9 -10 25.00 2.90 -4 9 -10 25.80 3.70 -4 9 -10 24.70 2.80 4 -9 10 27.80 2.80 -5 9 -10 13.30 2.70 -5 9 -10 14.60 3.30 -5 9 -10 11.70 2.40 -6 9 -10 0.10 2.20 -6 9 -10 -3.50 3.00 -7 9 -10 14.10 4.20 -7 9 -10 10.60 3.10 -8 9 -10 0.00 4.00 -8 9 -10 -1.00 2.50 -9 9 -10 -5.90 3.90 -9 9 -10 2.20 3.20 8 8 -10 -4.60 3.70 7 8 -10 8.40 4.10 -7 -8 10 11.50 4.40 6 8 -10 9.70 3.60 -6 -8 10 13.70 4.10 5 8 -10 11.40 3.60 5 8 -10 9.40 2.20 5 8 -10 11.80 2.80 -5 -8 10 11.00 3.80 -5 -8 10 9.30 3.10 -5 -8 10 10.60 2.20 4 8 -10 6.90 2.60 4 8 -10 -0.10 1.90 -4 -8 10 0.80 1.30 -4 -8 10 1.20 2.50 -4 -8 10 -0.70 1.90 3 8 -10 1.20 2.10 3 8 -10 -0.10 1.80 3 8 -10 1.50 2.20 -3 -8 10 0.00 1.80 -3 -8 10 0.30 1.20 -3 -8 10 -3.30 1.90 2 8 -10 0.60 1.90 2 8 -10 -0.80 1.50 2 8 -10 1.50 2.10 -2 -8 10 -0.50 2.00 -2 -8 10 0.80 1.20 -2 -8 10 -0.40 1.60 1 8 -10 44.50 3.80 1 8 -10 34.40 3.20 1 8 -10 36.00 3.50 -1 -8 10 31.70 3.20 -1 -8 10 35.10 2.40 -1 -8 10 35.40 3.90 0 8 -10 616.44 19.10 0 8 -10 631.94 18.00 0 8 -10 599.84 18.50 0 8 -10 594.74 18.50 0 -8 10 618.04 17.90 0 -8 10 634.84 19.30 -1 8 -10 207.28 7.50 -1 8 -10 196.48 7.40 -1 8 -10 204.08 7.40 -1 8 -10 215.18 8.20 1 -8 10 200.78 7.80 1 -8 10 193.28 7.30 1 -8 10 210.78 7.40 -2 8 -10 53.59 3.40 -2 8 -10 60.19 3.60 -2 8 -10 61.39 3.90 -2 8 -10 59.09 4.40 2 -8 10 52.59 3.30 -3 8 -10 12.30 2.60 -3 8 -10 11.20 2.00 -3 8 -10 6.40 1.80 -3 8 -10 8.30 1.80 3 -8 10 6.80 1.60 -4 8 -10 22.00 2.50 -4 8 -10 22.00 3.20 -4 8 -10 19.20 2.10 -4 8 -10 23.10 2.60 4 -8 10 24.40 2.50 -5 8 -10 0.50 2.40 -5 8 -10 -1.10 1.70 -6 8 -10 7.40 2.30 -6 8 -10 5.20 3.20 -7 8 -10 -0.70 2.20 -7 8 -10 -2.70 3.30 -8 8 -10 0.40 3.70 -8 8 -10 -1.40 2.60 -9 8 -10 4.20 3.20 -9 8 -10 -0.40 4.20 8 7 -10 4.30 4.20 7 7 -10 -3.00 3.10 6 7 -10 22.80 4.10 6 7 -10 30.10 4.10 -6 -7 10 21.10 4.00 -6 -7 10 20.10 3.90 5 7 -10 4.80 2.40 5 7 -10 4.40 2.80 5 7 -10 5.70 2.00 -5 -7 10 2.00 1.50 -5 -7 10 8.20 2.60 -5 -7 10 4.50 2.90 4 7 -10 51.29 4.90 4 7 -10 45.00 4.50 4 7 -10 41.60 3.70 -4 -7 10 41.30 2.70 -4 -7 10 41.80 4.00 -4 -7 10 33.00 4.20 3 7 -10 78.49 4.80 3 7 -10 75.89 4.90 3 7 -10 81.99 4.70 -3 -7 10 77.69 5.40 -3 -7 10 79.09 3.40 -3 -7 10 84.09 4.90 2 7 -10 2.90 1.60 2 7 -10 0.10 1.90 2 7 -10 -0.60 2.00 -2 -7 10 -1.40 1.50 -2 -7 10 1.40 1.00 -2 -7 10 2.70 2.30 1 7 -10 5.20 1.70 1 7 -10 4.80 1.80 1 7 -10 4.00 2.00 -1 -7 10 7.80 1.30 -1 -7 10 6.10 1.80 -1 -7 10 3.80 2.00 0 7 -10 737.73 21.00 0 7 -10 709.43 20.30 0 7 -10 687.63 20.20 0 7 -10 704.53 19.60 0 -7 10 720.83 19.60 0 -7 10 572.24 19.80 -1 7 -10 6.00 1.50 -1 7 -10 4.30 1.50 -1 7 -10 2.90 1.30 -1 7 -10 2.60 1.90 1 -7 10 2.50 1.40 1 -7 10 2.10 1.40 -2 7 -10 12.20 2.50 -2 7 -10 12.50 1.90 -2 7 -10 15.00 1.90 -2 7 -10 17.50 2.40 2 -7 10 14.00 1.90 -3 7 -10 50.59 3.10 -3 7 -10 46.00 2.80 -3 7 -10 45.40 3.10 -3 7 -10 44.10 3.80 3 -7 10 45.50 2.90 -4 7 -10 1.40 2.30 -4 7 -10 -0.80 1.00 -4 7 -10 3.60 1.60 -4 7 -10 1.90 1.50 4 -7 10 -0.20 1.20 -5 7 -10 49.70 4.80 -5 7 -10 46.50 3.40 -5 7 -10 43.10 2.30 -5 7 -10 42.10 2.70 -5 7 -10 48.50 3.60 5 -7 10 49.30 4.50 -6 7 -10 7.40 3.20 -6 7 -10 0.00 2.00 -7 7 -10 36.80 4.00 -7 7 -10 36.00 5.20 -8 7 -10 -2.10 2.50 -8 7 -10 -0.40 3.50 -9 7 -10 -2.70 2.90 -9 7 -10 3.60 4.40 9 6 -10 1.80 4.40 8 6 -10 -1.10 3.40 7 6 -10 3.60 3.30 6 6 -10 31.20 3.20 6 6 -10 31.30 4.00 6 6 -10 33.00 4.60 -6 -6 10 30.50 4.10 5 6 -10 1.20 2.80 5 6 -10 -0.50 1.60 5 6 -10 4.90 2.50 -5 -6 10 1.40 1.30 -5 -6 10 -0.70 2.00 4 6 -10 77.89 4.40 4 6 -10 58.09 4.80 4 6 -10 68.09 4.70 4 6 -10 68.99 5.00 -4 -6 10 68.29 4.70 -4 -6 10 65.49 3.10 3 6 -10 10.90 2.50 3 6 -10 5.30 1.80 3 6 -10 7.20 2.10 -3 -6 10 6.80 1.00 -3 -6 10 9.90 2.30 -3 -6 10 6.50 1.00 2 6 -10 17.30 2.40 2 6 -10 17.70 2.60 2 6 -10 16.60 2.70 -2 -6 10 16.30 2.40 -2 -6 10 14.90 1.20 1 6 -10 97.69 5.00 1 6 -10 98.59 4.50 1 6 -10 98.89 4.60 -1 -6 10 92.89 3.30 0 6 -10 106.39 4.60 0 6 -10 108.89 4.60 0 6 -10 113.39 5.40 0 6 -10 112.59 4.20 0 -6 10 109.29 4.10 0 -6 10 108.39 4.70 -1 6 -10 -0.50 1.60 -1 6 -10 2.10 1.20 -1 6 -10 1.40 1.20 -1 6 -10 1.60 1.30 1 -6 10 -1.80 1.00 1 -6 10 -0.70 1.10 -2 6 -10 47.00 3.20 -2 6 -10 36.40 3.50 -2 6 -10 38.60 2.60 -2 6 -10 40.70 2.60 2 -6 10 35.80 2.50 -3 6 -10 74.59 3.50 -3 6 -10 82.59 4.70 -3 6 -10 80.69 3.70 -3 6 -10 75.59 3.70 3 -6 10 73.79 3.40 -4 6 -10 -2.50 1.70 -4 6 -10 2.00 1.40 -4 6 -10 0.00 0.90 4 -6 10 1.30 1.10 -5 6 -10 21.70 3.80 -5 6 -10 22.60 2.50 -5 6 -10 18.60 1.60 -5 6 -10 21.30 1.80 -5 6 -10 18.20 2.40 5 -6 10 20.80 2.20 -6 6 -10 20.60 2.80 -6 6 -10 20.70 2.80 -6 6 -10 20.00 4.10 -7 6 -10 1.30 3.20 -7 6 -10 0.80 2.20 -8 6 -10 4.90 3.00 -8 6 -10 -3.20 3.60 -9 6 -10 2.30 3.10 -9 6 -10 -1.50 4.70 9 5 -10 2.80 4.00 8 5 -10 -3.70 3.30 7 5 -10 13.20 3.50 7 5 -10 9.50 3.80 6 5 -10 49.90 5.70 6 5 -10 51.99 5.10 6 5 -10 47.40 3.80 -6 -5 10 47.70 3.50 -6 -5 10 40.10 4.60 5 5 -10 3.00 2.80 5 5 -10 -3.20 1.50 5 5 -10 0.50 2.00 -5 -5 10 -2.60 2.10 -5 -5 10 1.40 1.30 4 5 -10 0.90 1.70 4 5 -10 -0.30 2.00 4 5 -10 0.30 1.80 4 5 -10 -0.30 2.00 -4 -5 10 2.40 1.90 -4 -5 10 -0.80 0.80 3 5 -10 18.80 2.70 3 5 -10 20.30 3.00 3 5 -10 21.30 2.80 3 5 -10 17.90 2.60 -3 -5 10 18.20 1.00 -3 -5 10 18.10 1.00 -3 -5 10 15.90 2.40 2 5 -10 0.30 1.50 2 5 -10 2.40 1.50 2 5 -10 0.90 1.70 -2 -5 10 1.00 1.40 1 5 -10 14.20 2.00 1 5 -10 18.10 2.10 1 5 -10 13.70 2.30 -1 -5 10 15.50 1.90 -1 -5 10 13.40 1.00 0 5 -10 157.08 5.70 0 5 -10 159.58 5.70 0 5 -10 165.38 6.60 0 5 -10 157.38 5.30 0 -5 10 154.58 5.20 0 -5 10 161.78 5.60 -1 5 -10 4.40 1.20 -1 5 -10 2.60 1.80 -1 5 -10 4.10 1.20 -1 5 -10 -1.30 1.10 1 -5 10 4.30 1.20 1 -5 10 1.80 1.30 -2 5 -10 1.20 1.00 -2 5 -10 -0.70 1.00 -2 5 -10 1.10 1.40 -2 5 -10 1.10 1.00 2 -5 10 0.10 0.90 -3 5 -10 3.90 1.20 -3 5 -10 5.90 2.10 -3 5 -10 2.80 1.20 3 -5 10 4.70 1.10 -4 5 -10 3.80 1.30 -4 5 -10 0.80 1.30 -4 5 -10 -0.10 2.00 -4 5 -10 2.40 1.30 4 -5 10 2.00 1.20 -5 5 -10 6.90 1.30 -5 5 -10 4.10 1.70 -5 5 -10 3.40 2.40 -5 5 -10 8.70 1.80 -6 5 -10 29.40 2.90 -6 5 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7 -12 25.10 3.30 3 7 -12 26.20 3.60 3 7 -12 30.70 3.30 -3 -7 12 25.70 3.30 2 7 -12 21.10 3.20 2 7 -12 25.50 3.10 2 7 -12 13.40 2.40 -2 -7 12 23.40 2.80 1 7 -12 2.40 2.00 1 7 -12 1.20 1.60 1 7 -12 3.40 1.60 -1 -7 12 1.10 0.70 -1 -7 12 -0.30 1.20 0 7 -12 1.50 1.30 0 7 -12 0.40 1.90 0 7 -12 1.60 1.20 0 7 -12 -0.30 1.40 0 -7 12 3.40 1.10 0 -7 12 1.20 1.40 -1 7 -12 106.89 4.60 -1 7 -12 98.89 5.50 -1 7 -12 100.39 4.50 -1 7 -12 101.39 4.60 1 -7 12 107.99 4.50 1 -7 12 101.99 4.50 -2 7 -12 19.50 2.10 -2 7 -12 22.00 2.20 -2 7 -12 26.00 2.70 -2 7 -12 17.70 3.20 2 -7 12 20.80 2.00 -3 7 -12 2.80 2.00 -3 7 -12 -1.40 1.20 -3 7 -12 0.90 1.30 3 -7 12 -0.20 1.10 -4 7 -12 14.00 2.00 -4 7 -12 14.60 2.90 -4 7 -12 9.30 1.70 -4 7 -12 9.80 1.80 -5 7 -12 26.70 2.40 -5 7 -12 25.70 2.70 -5 7 -12 27.00 2.80 -5 7 -12 37.20 4.70 -6 7 -12 46.20 3.90 -6 7 -12 51.19 5.70 -7 7 -12 -2.30 3.60 -7 7 -12 -2.30 2.00 -8 7 -12 5.40 2.60 -8 7 -12 -0.90 3.80 -9 7 -12 3.30 5.00 -9 7 -12 3.80 3.20 8 6 -12 11.10 5.00 7 6 -12 11.90 4.30 7 6 -12 4.60 3.40 6 6 -12 41.10 4.10 6 6 -12 31.50 4.80 6 6 -12 43.10 4.90 5 6 -12 7.70 3.20 5 6 -12 0.40 1.80 5 6 -12 0.40 2.30 4 6 -12 231.08 9.10 4 6 -12 220.38 9.20 4 6 -12 222.18 9.70 -4 -6 12 235.98 9.30 3 6 -12 17.00 2.80 3 6 -12 11.10 2.30 3 6 -12 15.90 2.80 3 6 -12 15.10 3.00 -3 -6 12 19.60 2.80 2 6 -12 4.10 1.90 2 6 -12 2.80 1.60 2 6 -12 1.00 2.20 -2 -6 12 -0.20 0.50 1 6 -12 205.48 7.70 1 6 -12 209.68 8.50 1 6 -12 231.48 7.90 -1 -6 12 214.38 7.70 0 6 -12 24.70 2.40 0 6 -12 28.30 2.00 0 6 -12 24.70 3.20 0 6 -12 27.10 2.50 0 -6 12 22.90 1.90 0 -6 12 28.90 2.40 -1 6 -12 538.95 15.70 -1 6 -12 557.04 16.00 -1 6 -12 519.85 15.70 -1 6 -12 543.15 17.10 1 -6 12 529.25 15.90 1 -6 12 517.45 15.50 -2 6 -12 68.59 3.30 -2 6 -12 69.69 3.90 -2 6 -12 60.99 3.20 -2 6 -12 67.99 4.50 2 -6 12 66.59 3.00 -3 6 -12 6.90 2.00 -3 6 -12 0.70 1.20 -3 6 -12 -0.40 1.10 -4 6 -12 46.10 3.30 -4 6 -12 49.40 4.30 -4 6 -12 49.00 3.00 -5 6 -12 0.90 1.60 -5 6 -12 5.30 1.60 -5 6 -12 6.20 3.20 -5 6 -12 5.00 1.70 -6 6 -12 -0.40 3.40 -6 6 -12 1.80 1.90 -7 6 -12 12.70 4.50 -7 6 -12 9.20 2.60 -8 6 -12 0.80 2.50 -8 6 -12 -0.10 4.00 -9 6 -12 -4.50 4.00 -9 6 -12 2.90 3.60 9 5 -12 2.20 4.70 8 5 -12 4.60 4.00 7 5 -12 11.20 3.30 7 5 -12 8.30 2.60 7 5 -12 9.00 3.70 6 5 -12 2.80 3.10 6 5 -12 0.10 1.90 6 5 -12 -1.00 2.50 5 5 -12 46.80 4.40 5 5 -12 54.39 4.70 5 5 -12 45.70 5.10 -5 -5 12 58.49 4.50 4 5 -12 168.18 7.70 4 5 -12 186.08 7.70 4 5 -12 160.98 7.50 4 5 -12 185.88 8.30 -4 -5 12 169.58 7.50 3 5 -12 3.90 2.30 3 5 -12 4.90 2.20 3 5 -12 5.30 1.90 3 5 -12 1.70 1.90 -3 -5 12 3.20 1.80 2 5 -12 10.60 2.70 2 5 -12 6.60 1.80 2 5 -12 6.90 1.70 -2 -5 12 7.90 1.70 1 5 -12 10.00 1.90 1 5 -12 9.20 2.40 1 5 -12 11.40 1.90 -1 -5 12 10.90 1.70 0 5 -12 2.40 1.30 0 5 -12 -0.30 1.00 0 5 -12 4.10 1.30 0 5 -12 4.30 2.00 0 -5 12 2.90 1.30 -1 5 -12 195.68 7.10 -1 5 -12 222.38 8.40 -1 5 -12 195.38 6.60 -1 5 -12 207.18 6.60 1 -5 12 192.98 6.40 -2 5 -12 10.70 2.60 -2 5 -12 8.00 2.00 -2 5 -12 10.90 1.40 -2 5 -12 12.30 1.40 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3.90 3 7 -23 8.90 3.00 3 7 -23 13.40 4.50 3 7 -23 11.80 4.50 2 7 -23 2.40 2.30 2 7 -23 -6.90 3.70 2 7 -23 1.50 3.40 1 7 -23 3.20 2.10 1 7 -23 -1.60 3.40 1 7 -23 2.50 3.60 0 7 -23 11.40 2.30 0 7 -23 16.30 4.60 0 7 -23 7.70 4.10 -1 7 -23 7.20 3.50 -1 7 -23 5.90 1.70 -1 7 -23 5.70 4.00 -2 7 -23 21.20 4.70 -2 7 -23 6.20 3.60 -3 7 -23 4.30 3.80 -3 7 -23 -0.60 3.20 4 6 -23 4.60 3.60 4 6 -23 0.70 2.90 4 6 -23 -1.00 3.70 3 6 -23 7.90 4.50 3 6 -23 -2.40 3.30 3 6 -23 3.50 2.80 2 6 -23 3.50 2.40 2 6 -23 -0.20 3.50 2 6 -23 3.90 3.80 1 6 -23 -0.50 4.10 1 6 -23 2.50 3.20 1 6 -23 3.80 2.10 0 6 -23 52.49 6.60 0 6 -23 64.79 6.80 0 6 -23 60.29 3.80 -1 6 -23 -7.80 3.40 -1 6 -23 2.40 3.10 -1 6 -23 1.50 1.00 -1 6 -23 0.20 0.90 -2 6 -23 -1.60 3.40 -2 6 -23 6.90 2.80 -2 6 -23 3.50 3.80 -3 6 -23 4.80 4.20 -3 6 -23 0.20 3.10 5 5 -23 12.10 5.10 4 5 -23 -3.40 3.30 4 5 -23 1.40 3.00 4 5 -23 10.80 4.40 3 5 -23 3.30 2.50 3 5 -23 -0.70 3.40 3 5 -23 4.10 3.90 2 5 -23 3.90 4.00 2 5 -23 8.30 2.60 2 5 -23 -0.70 3.20 1 5 -23 5.10 2.10 1 5 -23 -0.10 3.10 1 5 -23 6.30 3.70 0 5 -23 42.40 6.10 0 5 -23 44.80 3.00 0 5 -23 46.00 6.30 -1 5 -23 16.30 4.80 -1 5 -23 8.80 4.10 -2 5 -23 2.10 3.80 -2 5 -23 -1.80 2.30 -2 5 -23 1.80 3.10 -3 5 -23 10.90 4.30 -3 5 -23 4.30 2.80 4 4 -23 7.50 3.10 4 4 -23 -0.20 4.30 4 4 -23 6.90 4.10 3 4 -23 11.80 4.50 3 4 -23 0.20 3.50 3 4 -23 2.50 2.50 2 4 -23 -5.00 3.40 2 4 -23 -0.60 2.00 2 4 -23 3.60 3.50 1 4 -23 4.10 2.00 1 4 -23 1.10 3.20 1 4 -23 1.10 3.20 0 4 -23 10.20 1.30 0 4 -23 10.90 4.00 0 4 -23 11.30 4.40 -1 4 -23 18.50 4.40 -1 4 -23 27.00 5.00 -1 4 -23 22.10 4.50 -2 4 -23 0.70 3.20 -2 4 -23 1.50 2.70 -2 4 -23 -1.80 3.10 5 3 -23 -1.70 3.70 4 3 -23 5.60 2.90 4 3 -23 5.80 4.50 4 3 -23 -0.10 4.20 3 3 -23 0.30 2.40 3 3 -23 -2.50 3.70 3 3 -23 -5.50 3.10 2 3 -23 2.70 2.10 2 3 -23 -2.20 3.20 2 3 -23 -0.10 3.30 1 3 -23 4.20 3.90 1 3 -23 4.40 3.90 0 3 -23 5.60 3.80 0 3 -23 1.00 3.50 0 3 -23 1.40 3.20 -1 3 -23 1.00 3.40 -1 3 -23 -2.20 2.50 -1 3 -23 3.00 3.20 -2 3 -23 2.30 2.80 -2 3 -23 -4.50 2.70 -2 3 -23 -3.50 2.60 4 2 -23 -3.80 3.90 4 2 -23 1.50 3.60 4 2 -23 2.10 3.10 3 2 -23 0.80 3.30 3 2 -23 2.00 3.90 2 2 -23 2.30 2.00 2 2 -23 6.30 3.70 2 2 -23 0.10 3.40 1 2 -23 15.80 4.40 1 2 -23 7.00 1.70 1 2 -23 13.10 3.80 1 2 -23 7.70 4.20 0 2 -23 9.50 3.80 0 2 -23 7.30 4.00 0 2 -23 19.40 4.30 -1 2 -23 1.20 3.00 -1 2 -23 2.60 3.70 -1 2 -23 4.40 3.10 4 1 -23 -3.10 3.70 3 1 -23 4.00 3.80 3 1 -23 7.70 4.00 3 1 -23 0.30 2.30 2 1 -23 -4.70 3.10 2 1 -23 2.50 3.80 2 1 -23 1.40 3.40 2 1 -23 -2.70 1.60 1 1 -23 6.00 3.10 1 1 -23 4.10 3.50 1 1 -23 2.40 1.30 1 1 -23 6.00 4.10 0 1 -23 -0.60 3.60 0 1 -23 9.50 3.70 0 1 -23 2.90 4.00 -1 1 -23 7.60 3.80 -1 1 -23 7.30 3.90 3 0 -23 45.40 6.00 3 0 -23 35.80 9.40 3 0 -23 48.80 6.30 2 0 -23 0.80 4.00 2 0 -23 1.50 1.90 2 0 -23 3.00 3.50 2 0 -23 5.80 3.80 1 0 -23 11.90 4.80 1 0 -23 6.20 1.30 1 0 -23 -1.10 3.70 1 0 -23 1.40 3.90 0 0 -23 4.40 4.30 0 0 -23 4.20 3.60 1 10 -24 9.60 4.70 1 10 -24 7.00 4.40 1 10 -24 -0.30 4.30 0 10 -24 1.60 2.40 0 10 -24 1.10 3.50 0 10 -24 5.80 4.30 -1 10 -24 3.00 2.10 -1 10 -24 -1.40 3.80 -1 10 -24 -1.50 3.30 -2 10 -24 19.10 2.80 -2 10 -24 21.70 7.90 2 9 -24 16.70 6.00 2 9 -24 9.60 4.60 2 9 -24 14.30 4.70 1 9 -24 7.60 2.70 1 9 -24 -0.20 3.90 1 9 -24 1.80 3.50 0 9 -24 -4.20 3.10 0 9 -24 2.30 2.20 0 9 -24 -1.30 3.70 -1 9 -24 10.80 4.70 -1 9 -24 0.30 3.70 -1 9 -24 4.30 2.10 -2 9 -24 1.10 4.00 -2 9 -24 4.40 4.10 -2 9 -24 1.90 1.70 2 8 -24 -1.40 3.70 2 8 -24 5.10 2.80 2 8 -24 0.70 3.50 1 8 -24 21.80 5.00 1 8 -24 14.60 3.00 1 8 -24 32.00 5.90 0 8 -24 -1.50 1.80 0 8 -24 2.00 3.80 0 8 -24 1.60 3.80 -1 8 -24 -1.30 3.80 -1 8 -24 -3.10 3.00 -1 8 -24 0.00 1.60 -2 8 -24 26.80 5.80 -2 8 -24 19.20 4.80 -2 8 -24 28.30 1.80 3 7 -24 3.90 4.20 3 7 -24 -5.70 4.40 2 7 -24 19.00 3.20 2 7 -24 15.90 4.80 2 7 -24 11.90 4.50 1 7 -24 5.50 2.40 1 7 -24 8.60 3.80 1 7 -24 2.00 4.00 0 7 -24 23.50 5.50 0 7 -24 12.80 2.40 0 7 -24 15.90 4.80 -1 7 -24 6.50 1.50 -1 7 -24 2.50 3.40 -1 7 -24 2.60 4.50 -2 7 -24 0.20 3.70 -2 7 -24 -2.90 3.30 3 6 -24 7.30 4.30 3 6 -24 3.70 4.70 2 6 -24 5.80 4.10 2 6 -24 9.30 2.80 2 6 -24 6.20 3.90 1 6 -24 12.60 4.90 1 6 -24 11.50 4.10 1 6 -24 10.30 2.50 0 6 -24 61.29 6.90 0 6 -24 62.79 6.90 0 6 -24 58.29 3.70 -1 6 -24 5.80 3.60 -1 6 -24 3.50 4.20 -2 6 -24 3.60 4.20 -2 6 -24 7.30 4.10 -2 6 -24 3.50 2.80 3 5 -24 1.70 3.90 3 5 -24 -2.40 3.70 3 5 -24 3.80 4.30 2 5 -24 18.50 5.10 2 5 -24 12.60 4.60 2 5 -24 13.10 2.90 1 5 -24 1.00 3.30 1 5 -24 -2.60 1.90 1 5 -24 1.40 4.00 0 5 -24 51.59 6.40 0 5 -24 52.29 6.80 -1 5 -24 -1.40 3.80 -1 5 -24 1.50 2.80 -1 5 -24 -4.00 3.30 3 4 -24 -0.30 3.80 2 4 -24 8.70 4.70 2 4 -24 7.70 2.50 2 4 -24 8.90 4.60 1 4 -24 74.29 7.50 1 4 -24 83.39 8.90 0 4 -24 -4.00 3.40 0 4 -24 12.30 4.40 0 4 -24 -2.30 3.70 -1 4 -24 7.10 3.20 -1 4 -24 9.00 4.30 -1 4 -24 5.70 4.00 3 3 -24 5.50 3.90 2 3 -24 5.60 3.80 2 3 -24 13.00 5.00 1 3 -24 3.50 1.60 1 3 -24 1.80 3.80 1 3 -24 3.00 3.60 1 3 -24 -0.90 3.20 0 3 -24 4.60 3.60 0 3 -24 2.80 3.40 0 3 -24 0.60 3.90 3 2 -24 4.90 4.00 2 2 -24 11.00 6.50 2 2 -24 3.00 3.80 2 2 -24 8.30 2.20 1 2 -24 9.80 1.60 1 2 -24 4.40 3.80 1 2 -24 7.40 4.40 1 2 -24 18.00 4.30 0 2 -24 0.10 3.50 0 2 -24 -3.30 3.60 1 7 -25 3.00 4.50 0 7 -25 2.90 4.00 0 7 -25 0.10 1.80 1 6 -25 32.20 6.10 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 95408 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group O001 O 0.52966(18) 0.99391(11) 0.62791(7) 0.0233(4) Uani 1 1 d . . . . . O002 O 1.09579(18) 1.08054(11) 0.71429(7) 0.0233(4) Uani 1 1 d . . . . . O003 O 0.6489(2) 0.95951(12) 0.51070(8) 0.0268(4) Uani 1 1 d . . . . . O004 O 1.2305(2) 1.06275(11) 0.59894(8) 0.0273(4) Uani 1 1 d . . . . . O005 O 0.4416(2) 0.82598(11) 0.44775(8) 0.0298(4) Uani 1 1 d . . . . . O006 O 1.1199(2) 1.16544(12) 0.83060(8) 0.0331(5) Uani 1 1 d . . . . . O007 O 1.0399(2) 0.92342(12) 0.53223(8) 0.0335(5) Uani 1 1 d . . . . . O008 O 0.5585(2) 1.09872(12) 0.73880(8) 0.0342(5) Uani 1 1 d . . . . . O009 O 1.3852(2) 0.62152(12) 0.44252(9) 0.0319(4) Uani 1 1 d . . . . . O00A O 0.8656(2) 0.44151(13) 0.27742(9) 0.0385(5) Uani 1 1 d . . . . . H00A H 0.946064 0.477137 0.309800 0.058 Uiso 1 1 calc GR . . . . O00B O 1.1008(2) 0.55577(13) 0.36783(9) 0.0391(5) Uani 1 1 d . . . . . O00C O 1.0446(2) 0.38325(13) 0.21743(9) 0.0430(5) Uani 1 1 d . . . . . O00D O 0.8104(2) 0.24579(13) 0.11304(9) 0.0424(5) Uani 1 1 d . . . . . N00E N 1.0651(2) 0.82066(15) 0.40144(11) 0.0256(5) Uani 1 1 d . . . . . O00F O 0.9923(2) 0.59370(15) 0.46811(10) 0.0522(6) Uani 1 1 d . . . . . O00G O 1.6402(2) 0.65747(16) 0.43585(10) 0.0529(6) Uani 1 1 d . . . . . N00H N 0.4734(3) 0.70614(16) 0.31325(11) 0.0294(6) Uani 1 1 d . . . . . O00I O 0.7485(3) 0.11715(15) 0.01214(11) 0.0625(7) Uani 1 1 d . . . . . C00J C 1.0191(3) 0.99970(16) 0.65233(11) 0.0209(6) Uani 1 1 d . . . . . C00K C 0.8987(3) 1.02031(17) 0.77973(11) 0.0215(5) Uani 1 1 d . . . . . C00L C 0.5135(3) 0.58125(16) 0.18663(11) 0.0195(5) Uani 1 1 d . . . . . C00M C 0.6356(3) 0.39438(16) 0.01813(11) 0.0195(5) Uani 1 1 d . . . . . C00N C 1.0421(3) 1.09379(17) 0.77948(12) 0.0240(6) Uani 1 1 d . . . . . C00O C 0.7968(3) 0.39433(15) 0.01916(11) 0.0182(5) Uani 1 1 d . . . . . C00P C 0.4465(3) 0.90789(16) 0.57161(11) 0.0206(5) Uani 1 1 d . . . . . C00Q C 0.8280(3) 0.32192(16) -0.04012(11) 0.0204(5) Uani 1 1 d . . . . . C00R C 0.5446(3) 0.51539(16) 0.12319(11) 0.0213(6) Uani 1 1 d . . . . . C00S C 0.4840(3) 1.02001(18) 0.69477(12) 0.0240(6) Uani 1 1 d . . . . . C00T C 0.5902(3) 0.46245(16) 0.07525(12) 0.0212(5) Uani 1 1 d . . . . . C00U C 0.9301(3) 0.46169(16) 0.07395(11) 0.0217(6) Uani 1 1 d . . . . . C00V C 0.3519(3) 0.94892(17) 0.70579(12) 0.0219(6) Uani 1 1 d . . . . . C00W C 0.9234(3) 0.53670(17) 0.13979(12) 0.0227(6) Uani 1 1 d . . . . . C00X C 0.8214(3) 0.93982(16) 0.71579(12) 0.0219(6) Uani 1 1 d . . . . . C00Y C 0.3919(3) 0.55103(17) 0.22235(11) 0.0235(6) Uani 1 1 d . . . . . H00Y H 0.321551 0.486785 0.202669 0.028 Uiso 1 1 calc R . . . . C00Z C 0.9864(3) 0.67571(17) 0.26831(11) 0.0218(6) Uani 1 1 d . . . . . C010 C 0.8879(3) 0.93255(17) 0.65137(12) 0.0239(6) Uani 1 1 d . . . . . H010 H 0.837475 0.879048 0.607462 0.029 Uiso 1 1 calc R . . . . C011 C 0.5166(3) 0.32657(16) -0.03841(11) 0.0248(6) Uani 1 1 d . . . . . H011 H 0.409909 0.327744 -0.038360 0.030 Uiso 1 1 calc R . . . . C012 C 0.7008(3) 0.25406(17) -0.09611(12) 0.0252(6) Uani 1 1 d . . . . . H012 H 0.722363 0.205812 -0.134892 0.030 Uiso 1 1 calc R . . . . C013 C 0.6099(3) 0.67723(16) 0.21564(11) 0.0228(6) Uani 1 1 d . . . . . H013 H 0.690552 0.700095 0.191185 0.027 Uiso 1 1 calc R . . . . C014 C 1.1172(3) 0.75853(17) 0.28411(12) 0.0241(6) Uani 1 1 d . . . . . H014 H 1.179944 0.764883 0.248302 0.029 Uiso 1 1 calc R . . . . C015 C 0.9494(3) 0.59996(17) 0.19799(12) 0.0254(6) Uani 1 1 d . . . . . C016 C 1.1021(3) 0.99486(18) 0.58911(12) 0.0239(6) Uani 1 1 d . . . . . C017 C 0.5155(3) 0.89522(17) 0.50364(12) 0.0230(6) Uani 1 1 d . . . . . C018 C 1.1540(3) 0.83039(17) 0.35160(12) 0.0245(6) Uani 1 1 d . . . . . H018 H 1.242485 0.886889 0.362813 0.029 Uiso 1 1 calc R . . . . C019 C 0.2714(3) 0.86119(17) 0.64848(12) 0.0232(6) Uani 1 1 d . . . . . C01A C 0.5491(3) 0.25597(17) -0.09594(12) 0.0261(6) Uani 1 1 d . . . . . H01A H 0.465438 0.209997 -0.134380 0.031 Uiso 1 1 calc R . . . . C01B C 0.9398(3) 0.74261(18) 0.38882(12) 0.0267(6) Uani 1 1 d . . . . . H01B H 0.879737 0.738475 0.425899 0.032 Uiso 1 1 calc R . . . . C01C C 1.5683(3) 0.62803(17) 0.54004(13) 0.0275(6) Uani 1 1 d . . . . . C01D C 0.3225(3) 0.84418(17) 0.57922(12) 0.0245(6) Uani 1 1 d . . . . . H01D H 0.266490 0.786770 0.538846 0.029 Uiso 1 1 calc R . . . . C01E C 0.3099(3) 0.96856(18) 0.77447(12) 0.0276(6) Uani 1 1 d . . . . . H01E H 0.364653 1.028205 0.813035 0.033 Uiso 1 1 calc R . . . . C01F C 0.5878(3) 0.73819(18) 0.27949(12) 0.0267(6) Uani 1 1 d . . . . . H01F H 0.653919 0.803420 0.299775 0.032 Uiso 1 1 calc R . . . . C01G C 0.8980(3) 0.66830(17) 0.32202(12) 0.0257(6) Uani 1 1 d . . . . . H01G H 0.809539 0.612459 0.312746 0.031 Uiso 1 1 calc R . . . . C01H C 0.8401(3) 1.02958(18) 0.84428(12) 0.0277(6) Uani 1 1 d . . . . . H01H H 0.892745 1.083690 0.887532 0.033 Uiso 1 1 calc R . . . . C01I C 0.9850(3) 0.31895(18) -0.04288(12) 0.0284(6) Uani 1 1 d . . . . . H01I H 1.004089 0.269678 -0.081753 0.034 Uiso 1 1 calc R . . . . C01J C 0.6857(3) 0.87064(18) 0.71784(13) 0.0273(6) Uani 1 1 d . . . . . H01J H 0.631811 0.816270 0.674945 0.033 Uiso 1 1 calc R . . . . C01K C 0.1477(3) 0.79438(18) 0.66138(13) 0.0308(6) Uani 1 1 d . . . . . H01K H 0.090957 0.734767 0.623156 0.037 Uiso 1 1 calc R . . . . C01L C 1.0817(3) 0.45715(18) 0.06735(12) 0.0291(6) Uani 1 1 d . . . . . H01L H 1.169757 0.503864 0.103180 0.035 Uiso 1 1 calc R . . . . C01M C 1.4412(3) 0.61067(17) 0.57702(13) 0.0287(6) Uani 1 1 d . . . . . C01N C 1.2611(3) 0.60321(17) 0.47937(13) 0.0285(6) Uani 1 1 d . . . . . C01O C 0.9089(4) 0.38368(19) 0.22333(13) 0.0332(7) Uani 1 1 d . . . . . C01P C 0.6292(3) 0.88056(18) 0.78163(13) 0.0318(6) Uani 1 1 d . . . . . H01P H 0.536905 0.832665 0.782474 0.038 Uiso 1 1 calc R . . . . C01Q C 0.7691(4) 0.31499(18) 0.16573(13) 0.0322(7) Uani 1 1 d . . . . . C01R C 1.1036(3) 0.58313(18) 0.43586(14) 0.0313(6) Uani 1 1 d . . . . . C01S C 0.1074(3) 0.81471(19) 0.72949(14) 0.0331(7) Uani 1 1 d . . . . . H01S H 0.022994 0.768900 0.737697 0.040 Uiso 1 1 calc R . . . . C01T C 0.3751(3) 0.61572(19) 0.28670(12) 0.0291(6) Uani 1 1 d . . . . . H01T H 0.293860 0.595921 0.311988 0.035 Uiso 1 1 calc R . . . . C01U C 0.1888(3) 0.90107(18) 0.78589(13) 0.0316(6) Uani 1 1 d . . . . . H01U H 0.160952 0.913785 0.832644 0.038 Uiso 1 1 calc R . . . . C01V C 0.7057(3) 0.95989(19) 0.84489(13) 0.0339(7) Uani 1 1 d . . . . . H01V H 0.665342 0.966072 0.888594 0.041 Uiso 1 1 calc R . . . . C01W C 1.2848(3) 0.59953(17) 0.54437(13) 0.0303(6) Uani 1 1 d . . . . . H01W H 1.197758 0.589464 0.569204 0.036 Uiso 1 1 calc R . . . . C01X C 0.6211(4) 0.31832(19) 0.16390(13) 0.0354(7) Uani 1 1 d . . . . . H01X H 0.597441 0.367057 0.201421 0.042 Uiso 1 1 calc R . . . . C01Y C 1.1094(3) 0.38540(19) 0.00913(13) 0.0331(7) Uani 1 1 d . . . . . H01Y H 1.214947 0.383285 0.006095 0.040 Uiso 1 1 calc R . . . . C01Z C 1.5408(3) 0.63752(19) 0.47098(14) 0.0336(7) Uani 1 1 d . . . . . C020 C 0.4942(4) 0.24701(19) 0.10415(14) 0.0380(7) Uani 1 1 d . . . . . C021 C 1.7206(3) 0.63255(18) 0.56712(14) 0.0346(7) Uani 1 1 d . . . . . H021 H 1.805703 0.643614 0.541409 0.042 Uiso 1 1 calc R . . . . C022 C 1.4717(4) 0.60080(19) 0.64322(13) 0.0384(7) Uani 1 1 d . . . . . H022 H 1.388002 0.590304 0.669768 0.046 Uiso 1 1 calc R . . . . C023 C 1.6229(4) 0.60634(19) 0.66956(15) 0.0412(7) Uani 1 1 d . . . . . H023 H 1.642925 0.600115 0.714537 0.049 Uiso 1 1 calc R . . . . C024 C 0.6985(4) 0.1747(2) 0.05459(15) 0.0441(8) Uani 1 1 d . . . . . C025 C 1.7464(3) 0.62084(18) 0.63148(14) 0.0381(7) Uani 1 1 d . . . . . H025 H 1.849430 0.622732 0.649805 0.046 Uiso 1 1 calc R . . . . C026 C 0.5365(4) 0.17551(19) 0.05101(13) 0.0401(8) Uani 1 1 d . . . . . C027 C 0.3373(4) 0.2470(2) 0.09937(15) 0.0464(8) Uani 1 1 d . . . . . H027 H 0.308617 0.294820 0.135516 0.056 Uiso 1 1 calc R . . . . C028 C 0.4175(4) 0.1050(2) -0.00742(15) 0.0518(9) Uani 1 1 d . . . . . H028 H 0.444512 0.056811 -0.044002 0.062 Uiso 1 1 calc R . . . . C029 C 0.2218(4) 0.1764(2) 0.04118(16) 0.0558(9) Uani 1 1 d . . . . . H029 H 0.114295 0.176329 0.037424 0.067 Uiso 1 1 calc R . . . . C02A C 0.2638(5) 0.1059(2) -0.01140(16) 0.0563(9) Uani 1 1 d . . . . . H02A H 0.184158 0.057831 -0.050642 0.068 Uiso 1 1 calc R . . . . H003 H 0.706(4) 0.954(2) 0.4643(19) 0.095(12) Uiso 1 1 d . . . . . H00H H 0.466(3) 0.743(2) 0.3546(16) 0.060(10) Uiso 1 1 d . . . . . H00E H 1.086(3) 0.868(2) 0.4449(15) 0.053(9) Uiso 1 1 d . . . . . 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 O001 0.0283(10) 0.0199(9) 0.0124(7) -0.0011(7) 0.0070(7) 0.0022(8) O002 0.0284(10) 0.0212(9) 0.0145(8) 0.0007(7) 0.0085(7) 0.0065(8) O003 0.0280(10) 0.0279(10) 0.0161(8) 0.0020(7) 0.0100(7) 0.0032(9) O004 0.0295(10) 0.0230(10) 0.0185(8) -0.0006(7) 0.0104(7) 0.0018(8) O005 0.0378(11) 0.0222(10) 0.0166(8) -0.0042(8) 0.0069(8) 0.0052(8) O006 0.0393(11) 0.0275(10) 0.0175(8) -0.0040(8) 0.0091(8) 0.0033(9) O007 0.0355(11) 0.0304(11) 0.0175(9) -0.0047(8) 0.0087(8) 0.0023(9) O008 0.0380(11) 0.0251(10) 0.0195(9) -0.0050(8) 0.0066(8) -0.0024(9) O009 0.0267(11) 0.0380(11) 0.0293(9) 0.0133(8) 0.0078(8) 0.0067(9) O00A 0.0393(12) 0.0354(12) 0.0261(10) 0.0034(9) 0.0017(8) 0.0016(10) O00B 0.0335(11) 0.0463(12) 0.0263(10) 0.0069(9) 0.0056(8) 0.0052(9) O00C 0.0474(14) 0.0451(13) 0.0359(11) 0.0161(9) 0.0075(10) 0.0136(11) O00D 0.0630(14) 0.0299(11) 0.0277(10) 0.0084(9) 0.0069(9) 0.0091(10) N00E 0.0260(13) 0.0247(13) 0.0154(10) -0.0015(10) 0.0018(9) 0.0043(10) O00F 0.0385(12) 0.0781(16) 0.0508(13) 0.0283(12) 0.0215(10) 0.0275(11) O00G 0.0317(12) 0.0869(17) 0.0472(12) 0.0396(12) 0.0153(10) 0.0104(11) N00H 0.0403(15) 0.0335(15) 0.0118(10) -0.0006(10) 0.0048(10) 0.0196(12) O00I 0.1003(19) 0.0392(13) 0.0421(12) 0.0047(10) 0.0205(12) 0.0261(13) C00J 0.0261(14) 0.0179(13) 0.0141(11) -0.0003(10) 0.0050(10) 0.0085(12) C00K 0.0270(14) 0.0215(13) 0.0182(12) 0.0065(10) 0.0064(10) 0.0119(11) C00L 0.0242(14) 0.0185(13) 0.0131(11) 0.0023(10) 0.0015(10) 0.0080(11) C00M 0.0284(14) 0.0167(13) 0.0137(11) 0.0048(10) 0.0077(10) 0.0083(11) C00N 0.0303(15) 0.0237(14) 0.0177(12) 0.0030(11) 0.0098(11) 0.0132(12) C00O 0.0274(14) 0.0152(13) 0.0108(10) 0.0032(9) 0.0057(10) 0.0069(11) C00P 0.0260(14) 0.0170(13) 0.0146(11) 0.0009(10) 0.0044(10) 0.0068(11) C00Q 0.0299(15) 0.0191(13) 0.0133(11) 0.0045(10) 0.0073(10) 0.0107(11) C00R 0.0255(14) 0.0179(13) 0.0160(11) 0.0033(10) 0.0025(10) 0.0047(11) C00S 0.0293(15) 0.0237(15) 0.0159(12) 0.0033(11) 0.0055(11) 0.0094(12) C00T 0.0235(14) 0.0206(13) 0.0170(11) 0.0058(10) 0.0023(10) 0.0054(11) C00U 0.0302(15) 0.0187(13) 0.0143(11) 0.0036(10) 0.0039(10) 0.0087(11) C00V 0.0263(14) 0.0215(14) 0.0195(12) 0.0066(11) 0.0070(10) 0.0113(11) C00W 0.0253(14) 0.0218(14) 0.0187(12) 0.0070(11) 0.0038(10) 0.0053(11) C00X 0.0250(14) 0.0206(14) 0.0216(12) 0.0071(11) 0.0064(10) 0.0102(11) C00Y 0.0266(14) 0.0228(14) 0.0181(12) 0.0055(11) 0.0056(10) 0.0061(11) C00Z 0.0244(14) 0.0209(14) 0.0148(11) 0.0013(10) 0.0018(10) 0.0070(11) C010 0.0288(15) 0.0211(14) 0.0173(12) 0.0014(10) 0.0048(11) 0.0088(12) C011 0.0272(15) 0.0218(14) 0.0204(12) 0.0031(11) 0.0036(11) 0.0070(12) C012 0.0408(17) 0.0184(14) 0.0142(11) 0.0007(10) 0.0074(11) 0.0129(12) C013 0.0278(14) 0.0226(14) 0.0175(11) 0.0051(10) 0.0067(10) 0.0098(12) C014 0.0254(14) 0.0252(14) 0.0186(12) 0.0051(11) 0.0059(10) 0.0073(12) C015 0.0273(15) 0.0254(14) 0.0184(12) 0.0041(11) 0.0016(10) 0.0068(12) C016 0.0303(16) 0.0245(15) 0.0168(12) 0.0041(11) 0.0060(11) 0.0132(13) C017 0.0291(15) 0.0225(14) 0.0194(12) 0.0057(11) 0.0062(11) 0.0140(12) C018 0.0240(14) 0.0230(14) 0.0197(12) 0.0040(11) 0.0053(11) 0.0023(11) C019 0.0276(14) 0.0180(13) 0.0252(13) 0.0078(11) 0.0081(11) 0.0088(11) C01A 0.0352(16) 0.0204(14) 0.0130(11) -0.0021(10) -0.0016(11) 0.0069(12) C01B 0.0263(15) 0.0313(16) 0.0185(12) 0.0054(11) 0.0075(11) 0.0077(13) C01C 0.0287(16) 0.0221(14) 0.0263(13) 0.0051(11) 0.0049(11) 0.0055(12) C01D 0.0331(15) 0.0166(13) 0.0172(11) -0.0007(10) 0.0049(11) 0.0070(12) C01E 0.0369(16) 0.0229(14) 0.0219(12) 0.0054(11) 0.0082(11) 0.0113(13) C01F 0.0291(15) 0.0213(14) 0.0239(13) 0.0018(11) 0.0003(11) 0.0091(12) C01G 0.0228(14) 0.0236(14) 0.0209(12) 0.0027(11) 0.0028(10) 0.0006(11) C01H 0.0359(16) 0.0305(15) 0.0188(12) 0.0080(11) 0.0098(11) 0.0149(13) C01I 0.0381(17) 0.0257(15) 0.0221(13) 0.0032(11) 0.0122(12) 0.0173(13) C01J 0.0322(16) 0.0233(14) 0.0239(13) 0.0070(11) 0.0061(11) 0.0075(12) C01K 0.0369(16) 0.0186(14) 0.0344(14) 0.0078(12) 0.0103(12) 0.0074(12) C01L 0.0295(16) 0.0305(15) 0.0198(12) 0.0030(11) 0.0004(11) 0.0079(12) C01M 0.0338(16) 0.0204(14) 0.0236(13) 0.0023(11) 0.0056(12) 0.0040(12) C01N 0.0290(15) 0.0228(14) 0.0293(14) 0.0059(11) 0.0114(12) 0.0058(12) C01O 0.0447(19) 0.0294(16) 0.0253(14) 0.0150(12) 0.0049(13) 0.0059(14) C01P 0.0338(16) 0.0309(16) 0.0350(15) 0.0182(13) 0.0128(12) 0.0084(13) C01Q 0.0484(19) 0.0269(16) 0.0222(13) 0.0128(12) 0.0084(13) 0.0088(14) C01R 0.0310(16) 0.0271(15) 0.0322(15) 0.0109(12) 0.0097(13) 0.0037(13) C01S 0.0355(16) 0.0307(16) 0.0402(15) 0.0203(13) 0.0184(13) 0.0102(13) C01T 0.0300(15) 0.0385(17) 0.0201(12) 0.0100(12) 0.0090(11) 0.0134(14) C01U 0.0430(17) 0.0310(16) 0.0269(13) 0.0135(12) 0.0167(12) 0.0160(14) C01V 0.0412(17) 0.0385(17) 0.0278(14) 0.0160(13) 0.0170(13) 0.0150(14) C01W 0.0341(17) 0.0237(15) 0.0285(14) 0.0060(12) 0.0101(12) 0.0065(12) C01X 0.053(2) 0.0268(16) 0.0223(13) 0.0124(12) 0.0025(13) 0.0046(14) C01Y 0.0286(16) 0.0399(17) 0.0313(14) 0.0082(13) 0.0105(12) 0.0174(14) C01Z 0.0278(17) 0.0363(17) 0.0315(14) 0.0113(13) 0.0073(13) 0.0046(13) C020 0.050(2) 0.0314(17) 0.0339(15) 0.0203(13) 0.0003(14) 0.0074(15) C021 0.0322(17) 0.0286(16) 0.0341(15) 0.0058(12) 0.0033(13) 0.0050(13) C022 0.0464(19) 0.0344(17) 0.0287(14) 0.0100(13) 0.0092(13) 0.0068(14) C023 0.053(2) 0.0341(17) 0.0334(15) 0.0139(13) 0.0015(15) 0.0103(15) C024 0.069(2) 0.0314(18) 0.0289(15) 0.0132(14) 0.0089(15) 0.0092(17) C025 0.0387(18) 0.0276(16) 0.0402(16) 0.0082(13) -0.0020(14) 0.0073(13) C026 0.065(2) 0.0274(16) 0.0233(14) 0.0123(12) 0.0037(14) 0.0062(15) C027 0.059(2) 0.0374(18) 0.0380(16) 0.0158(14) -0.0019(15) 0.0085(16) C028 0.079(3) 0.0337(19) 0.0320(16) 0.0117(14) -0.0032(16) 0.0055(18) C029 0.065(2) 0.047(2) 0.0445(18) 0.0207(17) -0.0129(17) 0.0023(18) C02A 0.072(3) 0.040(2) 0.0364(18) 0.0075(16) -0.0162(17) 0.0011(18) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C00S O001 C00P 121.82(18) . . ? C00N O002 C00J 121.40(18) . . ? C017 O003 H003 118.7(18) . . ? C01Z O009 C01N 122.1(2) . . ? C01O O00A H00A 109.5 . . ? C01Q O00D C024 121.7(2) . . ? C018 N00E C01B 122.8(2) . . ? C018 N00E H00E 120.5(19) . . ? C01B N00E H00E 116.7(18) . . ? C01F N00H C01T 122.6(2) . . ? C01F N00H H00H 119(2) . . ? C01T N00H H00H 118(2) . . ? O002 C00J C016 113.4(2) . . ? C010 C00J O002 122.3(2) . . ? C010 C00J C016 124.3(2) . . ? C00X C00K C00N 120.3(2) . . ? C01H C00K C00N 119.6(2) . . ? C01H C00K C00X 120.1(2) . . ? C00Y C00L C00R 121.4(2) . . ? C00Y C00L C013 118.7(2) . . ? C013 C00L C00R 119.9(2) . . ? C00O C00M C00T 122.2(2) . . ? C011 C00M C00O 120.2(2) . . ? C011 C00M C00T 117.6(2) . . ? O002 C00N C00K 117.15(19) . . ? O006 C00N O002 116.1(2) . . ? O006 C00N C00K 126.7(2) . . ? C00M C00O C00Q 117.37(19) . . ? C00M C00O C00U 125.2(2) . . ? C00U C00O C00Q 117.4(2) . . ? O001 C00P C017 112.7(2) . . ? C01D C00P O001 122.3(2) . . ? C01D C00P C017 125.0(2) . . ? C012 C00Q C00O 119.7(2) . . ? C01I C00Q C00O 120.1(2) . . ? C01I C00Q C012 120.1(2) . . ? C00T C00R C00L 171.2(2) . . ? O001 C00S C00V 116.94(19) . . ? O008 C00S O001 116.7(2) . . ? O008 C00S C00V 126.3(2) . . ? C00R C00T C00M 176.2(3) . . ? C00O C00U C00W 126.1(2) . . ? C01L C00U C00O 120.0(2) . . ? C01L C00U C00W 113.9(2) . . ? C019 C00V C00S 120.2(2) . . ? C01E C00V C00S 119.2(2) . . ? C01E C00V C019 120.6(2) . . ? C015 C00W C00U 166.6(3) . . ? C00K C00X C010 118.0(2) . . ? C01J C00X C00K 119.0(2) . . ? C01J C00X C010 123.0(2) . . ? C00L C00Y H00Y 120.4 . . ? C01T C00Y C00L 119.2(2) . . ? C01T C00Y H00Y 120.4 . . ? C014 C00Z C015 119.5(2) . . ? C01G C00Z C014 118.8(2) . . ? C01G C00Z C015 121.7(2) . . ? C00J C010 C00X 120.8(2) . . ? C00J C010 H010 119.6 . . ? C00X C010 H010 119.6 . . ? C00M C011 H011 119.2 . . ? C00M C011 C01A 121.7(2) . . ? C01A C011 H011 119.2 . . ? C00Q C012 H012 119.1 . . ? C01A C012 C00Q 121.7(2) . . ? C01A C012 H012 119.1 . . ? C00L C013 H013 120.2 . . ? C01F C013 C00L 119.6(2) . . ? C01F C013 H013 120.2 . . ? C00Z C014 H014 120.2 . . ? C018 C014 C00Z 119.5(2) . . ? C018 C014 H014 120.2 . . ? C00W C015 C00Z 177.9(3) . . ? O004 C016 C00J 117.29(19) . . ? O007 C016 O004 126.4(2) . . ? O007 C016 C00J 116.3(2) . . ? O003 C017 C00P 114.9(2) . . ? O005 C017 O003 126.8(2) . . ? O005 C017 C00P 118.4(2) . . ? N00E C018 C014 119.7(2) . . ? N00E C018 H018 120.1 . . ? C014 C018 H018 120.1 . . ? C00V C019 C01D 118.1(2) . . ? C01K C019 C00V 118.6(2) . . ? C01K C019 C01D 123.4(2) . . ? C011 C01A H01A 120.4 . . ? C012 C01A C011 119.3(2) . . ? C012 C01A H01A 120.4 . . ? N00E C01B H01B 120.1 . . ? N00E C01B C01G 119.8(2) . . ? C01G C01B H01B 120.1 . . ? C01M C01C C01Z 120.0(2) . . ? C021 C01C C01M 120.9(2) . . ? C021 C01C C01Z 119.1(2) . . ? C00P C01D C019 120.5(2) . . ? C00P C01D H01D 119.8 . . ? C019 C01D H01D 119.8 . . ? C00V C01E H01E 120.2 . . ? C01U C01E C00V 119.7(2) . . ? C01U C01E H01E 120.2 . . ? N00H C01F C013 120.0(2) . . ? N00H C01F H01F 120.0 . . ? C013 C01F H01F 120.0 . . ? C00Z C01G H01G 120.3 . . ? C01B C01G C00Z 119.4(2) . . ? C01B C01G H01G 120.3 . . ? C00K C01H H01H 120.1 . . ? C01V C01H C00K 119.7(2) . . ? C01V C01H H01H 120.1 . . ? C00Q C01I H01I 119.5 . . ? C01Y C01I C00Q 121.0(2) . . ? C01Y C01I H01I 119.5 . . ? C00X C01J H01J 119.8 . . ? C01P C01J C00X 120.4(2) . . ? C01P C01J H01J 119.8 . . ? C019 C01K H01K 119.9 . . ? C01S C01K C019 120.2(2) . . ? C01S C01K H01K 119.9 . . ? C00U C01L H01L 119.2 . . ? C00U C01L C01Y 121.7(2) . . ? C01Y C01L H01L 119.2 . . ? C01C C01M C01W 118.7(2) . . ? C01C C01M C022 118.5(3) . . ? C022 C01M C01W 122.7(2) . . ? O009 C01N C01R 112.0(2) . . ? C01W C01N O009 122.0(2) . . ? C01W C01N C01R 125.9(2) . . ? O00A C01O C01Q 111.8(3) . . ? O00C C01O O00A 126.6(2) . . ? O00C C01O C01Q 121.6(3) . . ? C01J C01P H01P 119.6 . . ? C01J C01P C01V 120.7(2) . . ? C01V C01P H01P 119.6 . . ? O00D C01Q C01O 112.2(3) . . ? C01X C01Q O00D 122.6(2) . . ? C01X C01Q C01O 125.2(3) . . ? O00B C01R C01N 114.4(2) . . ? O00F C01R O00B 127.4(3) . . ? O00F C01R C01N 118.1(2) . . ? C01K C01S H01S 119.6 . . ? C01K C01S C01U 120.7(2) . . ? C01U C01S H01S 119.6 . . ? N00H C01T C00Y 119.8(2) . . ? N00H C01T H01T 120.1 . . ? C00Y C01T H01T 120.1 . . ? C01E C01U C01S 120.2(2) . . ? C01E C01U H01U 119.9 . . ? C01S C01U H01U 119.9 . . ? C01H C01V C01P 120.1(2) . . ? C01H C01V H01V 120.0 . . ? C01P C01V H01V 120.0 . . ? C01M C01W H01W 119.9 . . ? C01N C01W C01M 120.1(2) . . ? C01N C01W H01W 119.9 . . ? C01Q C01X H01X 120.0 . . ? C01Q C01X C020 120.0(3) . . ? C020 C01X H01X 120.0 . . ? C01I C01Y C01L 119.8(2) . . ? C01I C01Y H01Y 120.1 . . ? C01L C01Y H01Y 120.1 . . ? O009 C01Z C01C 116.9(2) . . ? O00G C01Z O009 116.5(2) . . ? O00G C01Z C01C 126.6(3) . . ? C026 C020 C01X 117.2(3) . . ? C027 C020 C01X 122.6(3) . . ? C027 C020 C026 120.3(3) . . ? C01C C021 H021 120.3 . . ? C025 C021 C01C 119.4(3) . . ? C025 C021 H021 120.3 . . ? C01M C022 H022 120.0 . . ? C023 C022 C01M 120.0(3) . . ? C023 C022 H022 120.0 . . ? C022 C023 H023 119.5 . . ? C022 C023 C025 121.0(3) . . ? C025 C023 H023 119.5 . . ? O00D C024 C026 117.3(3) . . ? O00I C024 O00D 115.8(3) . . ? O00I C024 C026 126.9(3) . . ? C021 C025 C023 120.3(3) . . ? C021 C025 H025 119.9 . . ? C023 C025 H025 119.9 . . ? C020 C026 C024 121.2(3) . . ? C020 C026 C028 119.0(3) . . ? C028 C026 C024 119.8(3) . . ? C020 C027 H027 120.2 . . ? C020 C027 C029 119.6(3) . . ? C029 C027 H027 120.2 . . ? C026 C028 H028 120.0 . . ? C02A C028 C026 120.0(3) . . ? C02A C028 H028 120.0 . . ? C027 C029 H029 120.0 . . ? C02A C029 C027 120.1(3) . . ? C02A C029 H029 120.0 . . ? C028 C02A C029 121.0(3) . . ? C028 C02A H02A 119.5 . . ? C029 C02A H02A 119.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O001 C00P 1.383(3) . ? O001 C00S 1.378(3) . ? O002 C00J 1.387(2) . ? O002 C00N 1.384(3) . ? O003 C017 1.284(3) . ? O003 H003 1.07(4) . ? O004 C016 1.272(3) . ? O005 C017 1.234(3) . ? O006 C00N 1.209(3) . ? O007 C016 1.241(3) . ? O008 C00S 1.204(3) . ? O009 C01N 1.382(3) . ? O009 C01Z 1.376(3) . ? O00A H00A 0.8400 . ? O00A C01O 1.306(3) . ? O00B C01R 1.273(3) . ? O00C C01O 1.217(3) . ? O00D C01Q 1.378(3) . ? O00D C024 1.386(3) . ? N00E C018 1.333(3) . ? N00E C01B 1.337(3) . ? N00E H00E 0.89(3) . ? O00F C01R 1.230(3) . ? O00G C01Z 1.202(3) . ? N00H C01F 1.333(3) . ? N00H C01T 1.335(3) . ? N00H H00H 0.85(3) . ? O00I C024 1.212(3) . ? C00J C010 1.327(3) . ? C00J C016 1.493(3) . ? C00K C00N 1.460(3) . ? C00K C00X 1.407(3) . ? C00K C01H 1.398(3) . ? C00L C00R 1.430(3) . ? C00L C00Y 1.395(3) . ? C00L C013 1.396(3) . ? C00M C00O 1.427(3) . ? C00M C00T 1.435(3) . ? C00M C011 1.381(3) . ? C00O C00Q 1.433(3) . ? C00O C00U 1.429(3) . ? C00P C017 1.500(3) . ? C00P C01D 1.321(3) . ? C00Q C012 1.412(3) . ? C00Q C01I 1.409(3) . ? C00R C00T 1.206(3) . ? C00S C00V 1.464(3) . ? C00U C00W 1.447(3) . ? C00U C01L 1.377(3) . ? C00V C019 1.402(3) . ? C00V C01E 1.398(3) . ? C00W C015 1.195(3) . ? C00X C010 1.433(3) . ? C00X C01J 1.391(3) . ? C00Y H00Y 0.9500 . ? C00Y C01T 1.381(3) . ? C00Z C014 1.400(3) . ? C00Z C015 1.434(3) . ? C00Z C01G 1.388(3) . ? C010 H010 0.9500 . ? C011 H011 0.9500 . ? C011 C01A 1.403(3) . ? C012 H012 0.9500 . ? C012 C01A 1.353(3) . ? C013 H013 0.9500 . ? C013 C01F 1.368(3) . ? C014 H014 0.9500 . ? C014 C018 1.371(3) . ? C018 H018 0.9500 . ? C019 C01D 1.444(3) . ? C019 C01K 1.398(3) . ? C01A H01A 0.9500 . ? C01B H01B 0.9500 . ? C01B C01G 1.376(3) . ? C01C C01M 1.402(3) . ? C01C C01Z 1.454(4) . ? C01C C021 1.394(4) . ? C01D H01D 0.9500 . ? C01E H01E 0.9500 . ? C01E C01U 1.376(3) . ? C01F H01F 0.9500 . ? C01G H01G 0.9500 . ? C01H H01H 0.9500 . ? C01H C01V 1.378(3) . ? C01I H01I 0.9500 . ? C01I C01Y 1.356(3) . ? C01J H01J 0.9500 . ? C01J C01P 1.375(3) . ? C01K H01K 0.9500 . ? C01K C01S 1.381(3) . ? C01L H01L 0.9500 . ? C01L C01Y 1.401(3) . ? C01M C01W 1.430(4) . ? C01M C022 1.406(3) . ? C01N C01R 1.488(4) . ? C01N C01W 1.329(3) . ? C01O C01Q 1.493(4) . ? C01P H01P 0.9500 . ? C01P C01V 1.390(3) . ? C01Q C01X 1.325(4) . ? C01S H01S 0.9500 . ? C01S C01U 1.384(3) . ? C01T H01T 0.9500 . ? C01U H01U 0.9500 . ? C01V H01V 0.9500 . ? C01W H01W 0.9500 . ? C01X H01X 0.9500 . ? C01X C020 1.462(4) . ? C01Y H01Y 0.9500 . ? C020 C026 1.409(4) . ? C020 C027 1.388(4) . ? C021 H021 0.9500 . ? C021 C025 1.378(4) . ? C022 H022 0.9500 . ? C022 C023 1.376(4) . ? C023 H023 0.9500 . ? C023 C025 1.385(4) . ? C024 C026 1.436(4) . ? C025 H025 0.9500 . ? C026 C028 1.411(4) . ? C027 H027 0.9500 . ? C027 C029 1.395(4) . ? C028 H028 0.9500 . ? C028 C02A 1.364(4) . ? C029 H029 0.9500 . ? C029 C02A 1.392(4) . ? C02A H02A 0.9500 . ?