#------------------------------------------------------------------------------ #$Date: 2024-12-06 19:46:11 +0200 (Fri, 06 Dec 2024) $ #$Revision: 296485 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/93/7249340.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_7249340 loop_ _publ_author_name 'Li, Ying-Yu' 'Qiu, Qi-Ming' 'Fan, Si-Jie' 'Xu, Jian-Jie' 'Mou, Wen-Long' 'Hou, Chuan-Bing' 'Liu, Min' 'Yang, Yu-Ping' 'Dai, Li-Xiong' 'Han, Hong-Liang' 'Jin, Qiong-Hua' _publ_section_title ; A series of rare-earth phosphine-oxygen complexes containing [PW12O40]3− with highly efficient photocatalytic degradation of MB ; _journal_issue 40 _journal_name_full CrystEngComm _journal_page_first 5809 _journal_page_last 5819 _journal_paper_doi 10.1039/D4CE00851K _journal_volume 26 _journal_year 2024 _chemical_formula_sum 'C42 H100 O60 P7 Pr W12' _chemical_formula_weight 4129.11 _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 _audit_creation_method SHELXL-2019/2 _audit_update_record ; 2023-03-10 deposited with the CCDC. 2024-09-12 downloaded from the CCDC. ; _cell_angle_alpha 79.204(2) _cell_angle_beta 83.313(3) _cell_angle_gamma 89.273(4) _cell_formula_units_Z 2 _cell_length_a 15.9297(18) _cell_length_b 16.2805(19) _cell_length_c 21.296(2) _cell_measurement_reflns_used 4904 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.348 _cell_measurement_theta_min 2.243 _cell_volume 5388.1(10) _computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.976 _diffrn_measured_fraction_theta_max 0.976 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0841 _diffrn_reflns_av_unetI/netI 0.1336 _diffrn_reflns_Laue_measured_fraction_full 0.976 _diffrn_reflns_Laue_measured_fraction_max 0.976 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 26718 _diffrn_reflns_point_group_measured_fraction_full 0.976 _diffrn_reflns_point_group_measured_fraction_max 0.976 _diffrn_reflns_theta_full 25.019 _diffrn_reflns_theta_max 25.019 _diffrn_reflns_theta_min 2.094 _exptl_absorpt_coefficient_mu 13.380 _exptl_absorpt_correction_T_max 0.2388 _exptl_absorpt_correction_T_min 0.0996 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_density_diffrn 2.545 _exptl_crystal_F_000 3768 _exptl_crystal_size_max 0.320 _exptl_crystal_size_mid 0.210 _exptl_crystal_size_min 0.150 _refine_diff_density_max 3.842 _refine_diff_density_min -2.896 _refine_diff_density_rms 0.395 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 932 _refine_ls_number_reflns 18544 _refine_ls_number_restraints 4297 _refine_ls_restrained_S_all 0.992 _refine_ls_R_factor_all 0.1495 _refine_ls_R_factor_gt 0.0800 _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^)+(0.0714P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1768 _refine_ls_wR_factor_ref 0.1989 _reflns_Friedel_coverage 0.000 _reflns_number_gt 9535 _reflns_number_total 18544 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ce00851k21.cif _cod_data_source_block 221122d_sq _cod_depositor_comments 'Adding full bibliography for 7249339--7249349.cif.' _cod_original_cell_volume 5388.1(11) _cod_database_code 7249340 _shelx_shelxl_version_number 2019/2 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.100 _shelx_estimated_absorpt_t_max 0.239 _shelx_res_file ; TITL 221122d in P-1 221122d_sq.res created by SHELXL-2019/2 at 10:17:08 on 01-Mar-2023 CELL 0.71073 15.9297 16.2805 21.2959 79.204 83.313 89.273 ZERR 2.00 0.0018 0.0019 0.0023 0.002 0.003 0.004 LATT 1 SFAC C H O P Pr W UNIT 84 200 120 14 2 24 Omit -2 -1 1 omit 1 0 3 omit 2 0 3 omit 1 -2 1 omit 2 0 2 omit -1 -1 2 omit 1 2 1 omit 2 2 0 omit 2 1 0 omit 0 1 2 omit -3 3 4 omit -1 1 3 omit 0 -1 2 omit -3 9 4 omit 0 2 4 omit 6 -7 7 omit -1 3 1 omit 2 1 6 omit -1 4 2 omit -2 -2 3 omit -1 2 3 omit 5 1 0 omit 4 3 4 omit 0 2 3 omit 1 -2 2 omit 0 1 5 omit -3 1 0 omit -6 -3 4 omit 1 -8 2 omit 3 -5 4 omit 1 1 4 omit -3 -5 1 omit 0 0 3 omit 2 2 5 omit 5 -1 2 omit -3 -4 2 omit 0 3 3 omit -5 1 2 omit -9 11 6 omit -2 -1 7 omit -7 8 5 omit -4 13 3 omit -4 -4 3 omit -2 10 4 omit -1 -4 5 omit -2 4 9 omit 0 0 9 omit 5 -2 1 omit 8 -3 1 omit -1 1 4 OMIT -1.00 50.04 L.S. 16 0 139 ACTA BOND $h FMAP 2 PLAN 20 CONF SIZE 0.32 0.21 0.15 delu 0.002 0.001 c23 c24 dfix 3.25 0.01 c33 c35 dfix 2.16 0.01 h22b h24a dfix 2.16 0.01 h16a h24a h33b h35a h33c h35a h13c h35b h13c h35c dfix 2.43 0.01 o55 c35 o55 c36 DFIX 2.43 0.02 o54 c33 o57 c38 o57 c39 o58 c41 o58 c42 DFIX 2.43 0.02 o51 c24 o51 c25 o52 c27 o52 c28 o54 c32 DFIX 2.43 0.02 o46 c14 o48 c18 o48 c19 o49 c21 o49 c22 DFIX 2.43 0.02 o42 c4 o42 c5 o43 c7 o43 c8 o45 c10 o45 c11 o46 c13 DFIX 2.54 0.02 c24 c25 c27 c28 c32 c33 c35 c36 c38 c39 c41 c42 DFIX 2.54 0.02 c4 c5 c7 c8 c10 c11 c13 c14 c18 c19 c21 c22 DFIX 1.53 0.01 c31 c33 c34 c35 c34 c36 c37 c38 c37 c39 c40 c41 c40 c42 DFIX 1.53 0.01 c23 c24 c23 c25 c26 c27 c26 c28 c29 c30 c31 c32 DFIX 1.53 0.01 c12 c14 c15 c16 c17 c18 c17 c19 c20 c21 c20 c22 DFIX 1.53 0.01 c1 c2 c3 c4 c3 c5 c6 c7 c6 c8 c9 c10 c9 c11 c12 c13 DFIX 1.58 0.01 p1 o1 p1 o2 p1 o3 p1 o4 SADI 0.02 o1 o2 o1 o3 o1 o4 o2 o3 o2 o4 o3 o4 DFIX 1.58 0.01 p1 o1' p1 o2' p1 o3' p1 o4' SADI 0.02 o1' o2' o1' o3' o1' o4' o2' o3' o2' o4' o3' o4' SIMU 0.02 0.04 3.8 HTAB BIND O7 W4 FREE O23 C12 ABIN WGHT 0.071400 FVAR 0.04473 0.42511 W1 6 0.114651 0.412590 0.328933 11.00000 0.04768 0.03208 = 0.03561 -0.01565 -0.01010 0.00052 W2 6 0.237742 0.263762 0.427424 11.00000 0.06056 0.04875 = 0.02397 -0.01332 -0.01146 -0.01170 W3 6 0.300942 0.072739 0.376830 11.00000 0.04554 0.04659 = 0.02843 -0.00477 -0.00794 0.01066 W4 6 0.232246 0.023011 0.232137 11.00000 0.03820 0.03478 = 0.03681 -0.01563 -0.00514 0.00634 W5 6 0.109899 0.169707 0.135319 11.00000 0.05138 0.04009 = 0.01939 -0.01156 -0.00499 -0.00482 W6 6 0.047879 0.363650 0.185474 11.00000 0.04554 0.03772 = 0.02577 -0.00282 -0.00285 0.00980 W7 6 0.264073 0.411463 0.190894 11.00000 0.03941 0.03720 = 0.03552 -0.00227 -0.00115 -0.01432 W8 6 0.390412 0.265795 0.290159 11.00000 0.02927 0.05558 = 0.04465 -0.01440 -0.00190 -0.01215 W9 6 0.326456 0.215477 0.144737 11.00000 0.03006 0.05546 = 0.02528 -0.00947 0.00454 -0.00295 W10 6 0.018346 0.219223 0.418080 11.00000 0.03471 0.04562 = 0.02027 -0.01003 0.00307 -0.00282 W11 6 0.080740 0.025858 0.371670 11.00000 0.03655 0.03123 = 0.02845 -0.00190 -0.00124 -0.00582 W12 6 -0.043714 0.168097 0.274103 11.00000 0.02660 0.03843 = 0.03820 -0.01347 0.00155 -0.00774 PR1 5 0.678919 0.714968 0.268790 11.00000 0.02872 0.03188 = 0.02218 -0.00923 -0.00216 0.00006 P1 4 0.173935 0.217135 0.281334 11.00000 0.02080 0.01581 = 0.01210 -0.00956 -0.00534 -0.00365 P2 4 0.748487 0.851547 0.106571 11.00000 0.05863 0.04640 = 0.03198 -0.00407 0.00264 -0.00478 P4 4 0.913750 0.673624 0.230049 11.00000 0.03946 0.04762 = 0.04238 -0.01383 -0.00230 -0.00187 P5 4 0.767978 0.501717 0.338839 11.00000 0.04830 0.03472 = 0.03953 -0.01241 -0.00683 0.00350 P6 4 0.467653 0.751411 0.200547 11.00000 0.03830 0.04179 = 0.04562 -0.01878 -0.00186 -0.00608 P3 4 0.699983 0.615059 0.117136 11.00000 0.04763 0.04519 = 0.02942 -0.01529 -0.00265 0.00795 P7 4 0.559235 0.918666 0.280340 11.00000 0.03802 0.04229 = 0.03470 -0.01798 -0.00489 0.00665 PART 1 AFIX 9 O1 3 0.145447 0.258539 0.342039 21.00000 0.05132 0.04640 = 0.03571 -0.00944 -0.00201 -0.00523 O2 3 0.196866 0.122897 0.305418 21.00000 0.04875 0.04635 = 0.03540 -0.00933 -0.00568 -0.00180 O3 3 0.098966 0.222173 0.238216 21.00000 0.05028 0.04431 = 0.03580 -0.01154 -0.00373 -0.00554 O4 3 0.253956 0.265478 0.241302 21.00000 0.04817 0.04837 = 0.03730 -0.01009 0.00024 -0.00440 PART 2 O1' 3 0.090850 0.174128 0.321003 -21.00000 0.04637 0.04187 = 0.03065 -0.01365 0.00015 0.00031 O2' 3 0.200441 0.172299 0.222647 -21.00000 0.04589 0.04568 = 0.03384 -0.00902 -0.00127 -0.00307 O3' 3 0.247135 0.207234 0.326328 -21.00000 0.05137 0.04579 = 0.03500 -0.01172 -0.00210 -0.00749 O4' 3 0.158295 0.312535 0.256162 -21.00000 0.04783 0.04658 = 0.03403 -0.00770 -0.00339 -0.00337 PART 0 O5 3 0.193911 0.366795 0.386621 11.00000 0.06020 0.04929 = 0.04836 -0.00737 -0.00328 -0.01215 O6 3 0.272074 0.152608 0.437985 11.00000 0.06778 0.05641 = 0.04465 -0.00492 0.00671 -0.01032 O7 3 0.299059 0.031911 0.302301 11.00000 0.04743 0.05726 = 0.03719 -0.01123 0.00300 -0.00321 O8 3 0.157367 0.064954 0.169384 11.00000 0.05729 0.04690 = 0.04719 -0.00474 -0.00342 -0.00464 O9 3 0.083955 0.282044 0.131739 11.00000 0.06046 0.04818 = 0.04172 -0.00406 0.01227 -0.00398 O10 3 0.048091 0.411025 0.257944 11.00000 0.05616 0.05581 = 0.04082 -0.01232 -0.00017 -0.00604 O11 3 0.205834 0.449119 0.263720 11.00000 0.05394 0.06013 = 0.04498 -0.01332 -0.00092 -0.00006 O12 3 0.339864 0.292221 0.368515 11.00000 0.06636 0.05231 = 0.04858 -0.01187 0.00705 -0.00340 O13 3 0.385406 0.152489 0.329945 11.00000 0.06231 0.05169 = 0.04398 -0.02221 0.00230 -0.00488 O14 3 0.315510 0.100747 0.177281 11.00000 0.05073 0.05120 = 0.04550 -0.00227 -0.01106 -0.00782 O15 3 0.224877 0.208083 0.109219 11.00000 0.05599 0.05278 = 0.04661 0.00108 -0.00612 -0.00247 O16 3 0.158194 0.412807 0.159662 11.00000 0.05218 0.05919 = 0.03909 -0.01128 -0.00097 -0.00628 O17 3 0.348234 0.366883 0.248830 11.00000 0.05857 0.05715 = 0.04829 -0.01773 -0.00390 -0.00236 O18 3 0.392174 0.226020 0.212673 11.00000 0.05452 0.05708 = 0.04655 -0.01340 -0.00714 -0.00241 O19 3 0.302689 0.332480 0.136194 11.00000 0.05596 0.05786 = 0.04430 -0.00726 -0.00722 -0.00174 O20 3 0.032358 0.331936 0.380209 11.00000 0.04938 0.04460 = 0.04562 -0.00873 -0.01019 -0.00554 O21 3 0.123592 0.226932 0.447615 11.00000 0.05555 0.04798 = 0.04698 0.00242 -0.00596 -0.00769 O22 3 0.187229 0.033453 0.400179 11.00000 0.05758 0.05903 = 0.04026 -0.00967 -0.00074 -0.00314 O23 3 0.140174 -0.004312 0.296912 11.00000 0.05131 0.05450 = 0.04334 -0.01627 -0.00339 0.00103 O24 3 0.012540 0.142294 0.197098 11.00000 0.06152 0.04930 = 0.04350 -0.01504 0.00690 0.00150 O25 3 -0.034850 0.281978 0.234344 11.00000 0.06085 0.04421 = 0.04248 -0.02031 0.01121 -0.00012 O26 3 0.043940 0.101300 0.425245 11.00000 0.05891 0.05208 = 0.03903 -0.00940 -0.00438 0.00067 O27 3 -0.007613 0.062841 0.317354 11.00000 0.05580 0.04902 = 0.04155 -0.01798 -0.00428 0.00466 O28 3 -0.054680 0.204678 0.352622 11.00000 0.05766 0.04538 = 0.04428 -0.01522 -0.00448 0.00060 O29 3 0.088945 0.504246 0.351144 11.00000 0.07076 0.05465 = 0.08873 -0.02499 0.01464 0.01150 O30 3 0.264701 0.289782 0.495600 11.00000 0.08349 0.04506 = 0.03100 -0.02605 -0.00400 -0.01025 O31 3 0.351905 0.000851 0.423373 11.00000 0.06415 0.08615 = 0.02820 0.01573 0.00665 0.01582 O32 3 0.263760 -0.068791 0.216863 11.00000 0.05167 0.04575 = 0.08206 -0.01849 -0.01343 0.01568 O33 3 0.078572 0.148177 0.066883 11.00000 0.05577 0.04365 = 0.02505 -0.01173 -0.01105 -0.00165 O34 3 -0.010886 0.427974 0.140149 11.00000 0.05218 0.07149 = 0.02974 0.01136 -0.00232 0.00348 O35 3 0.303795 0.502581 0.147791 11.00000 0.08823 0.05097 = 0.07262 -0.01352 -0.01255 -0.03264 O36 3 0.491669 0.287776 0.293044 11.00000 0.04661 0.08574 = 0.05473 -0.02043 -0.02576 -0.00738 O37 3 0.400395 0.219931 0.081009 11.00000 0.04652 0.06366 = 0.04468 -0.00597 0.01562 0.01591 O38 3 -0.051174 0.223154 0.482552 11.00000 0.06553 0.05927 = 0.02727 -0.01472 0.01996 0.02698 O39 3 0.042832 -0.066177 0.411654 11.00000 0.07354 0.03637 = 0.04811 -0.02150 -0.01298 -0.01178 O40 3 -0.142005 0.146835 0.269293 11.00000 0.05323 0.03846 = 0.07270 -0.01884 0.00074 0.01751 O41 3 0.700822 0.824956 0.171245 11.00000 0.05377 0.04923 = 0.04484 -0.00287 -0.00044 -0.00027 O42 3 0.834993 0.895115 0.107555 11.00000 0.07362 0.06515 = 0.05942 -0.00895 0.00949 -0.00868 O43 3 0.685700 0.915222 0.067199 11.00000 0.06940 0.05816 = 0.04418 -0.00064 -0.00310 0.00342 O44 3 0.700863 0.627130 0.186291 11.00000 0.05409 0.04898 = 0.03574 -0.01703 -0.00647 0.00136 O45 3 0.779595 0.564776 0.095995 11.00000 0.05642 0.05846 = 0.04039 -0.01755 -0.00506 0.00986 O46 3 0.618003 0.569037 0.104804 11.00000 0.06211 0.06630 = 0.04664 -0.02142 -0.01279 0.00132 O47 3 0.832669 0.721139 0.239902 11.00000 0.05191 0.05194 = 0.05503 -0.01258 -0.00120 0.00041 O48 3 0.955554 0.705042 0.159167 11.00000 0.05636 0.07085 = 0.05820 -0.00879 0.01050 -0.00353 O49 3 0.978583 0.686249 0.275361 11.00000 0.06067 0.06025 = 0.07206 -0.01867 -0.00420 -0.00251 O50 3 0.718168 0.579475 0.326971 11.00000 0.04922 0.04307 = 0.04349 -0.01873 -0.01240 0.00192 O51 3 0.761117 0.453864 0.410595 11.00000 0.06417 0.05104 = 0.05114 -0.01105 -0.01028 0.01011 O52 3 0.727436 0.435774 0.305565 11.00000 0.05469 0.04956 = 0.05023 -0.01967 -0.01249 0.00759 O53 3 0.540645 0.711881 0.231838 11.00000 0.04333 0.05013 = 0.04706 -0.01846 -0.00663 -0.00095 O54 3 0.466724 0.725441 0.131848 11.00000 0.04841 0.06342 = 0.04889 -0.02740 -0.00827 -0.00098 O55 3 0.381907 0.726885 0.244303 11.00000 0.04652 0.06247 = 0.06729 -0.02606 0.00303 -0.00982 O56 3 0.612067 0.845668 0.292150 11.00000 0.04579 0.04408 = 0.04444 -0.01585 -0.00828 0.00405 O57 3 0.530815 0.957874 0.341613 11.00000 0.05030 0.04950 = 0.04937 -0.02271 -0.01529 0.01259 O58 3 0.608388 0.989038 0.228786 11.00000 0.05292 0.05009 = 0.04837 -0.01152 -0.00880 0.00625 O59 3 0.739974 0.751309 0.362956 11.00000 0.06062 0.04921 = 0.04390 -0.03050 -0.00400 0.00650 AFIX 3 H59A 2 0.714775 0.729995 0.400648 11.00000 -1.20000 H59B 2 0.791361 0.734987 0.354237 11.00000 -1.20000 AFIX 5 O60 3 0.571622 0.666421 0.369897 11.00000 0.04890 0.07330 = 0.04689 -0.00591 0.00849 0.00281 AFIX 3 H60A 2 0.526572 0.647245 0.357956 11.00000 -1.50000 H60C 2 0.558569 0.709359 0.387586 11.00000 -1.50000 AFIX 5 C1 1 0.773920 0.767816 0.062355 11.00000 0.06292 0.05544 = 0.04396 -0.00619 -0.00110 0.00048 AFIX 23 H1A 2 0.796792 0.792033 0.018672 11.00000 -1.20000 H1B 2 0.817571 0.733580 0.082069 11.00000 -1.20000 AFIX 5 C2 1 0.698028 0.711456 0.059962 11.00000 0.06192 0.05897 = 0.04248 -0.00878 -0.00921 0.00049 AFIX 23 H2A 2 0.699241 0.699287 0.016987 11.00000 -1.20000 H2B 2 0.645978 0.740691 0.069337 11.00000 -1.20000 AFIX 5 C3 1 0.856086 0.963569 0.134297 11.00000 0.08648 0.08484 = 0.07485 -0.00770 -0.00304 -0.01573 AFIX 13 H3 2 0.822129 1.010715 0.115977 11.00000 -1.20000 AFIX 5 C4 1 0.948720 0.989020 0.113906 11.00000 0.12944 0.14444 = 0.12535 -0.01310 0.02228 -0.05744 AFIX 33 H4A 2 0.961672 1.035833 0.132721 11.00000 -1.50000 H4B 2 0.984266 0.942923 0.128332 11.00000 -1.50000 H4C 2 0.958398 1.004290 0.067859 11.00000 -1.50000 AFIX 5 C5 1 0.833168 0.949096 0.206502 11.00000 0.09356 0.10126 = 0.10514 -0.01990 -0.00681 -0.02332 AFIX 33 H5A 2 0.848755 0.997437 0.222472 11.00000 -1.50000 H5B 2 0.773375 0.939430 0.216586 11.00000 -1.50000 H5C 2 0.862830 0.901238 0.226264 11.00000 -1.50000 AFIX 5 C6 1 0.700409 0.942708 -0.003058 11.00000 0.07362 0.06719 = 0.04563 -0.00623 -0.00824 0.00489 AFIX 13 H6 2 0.720000 0.895653 -0.023473 11.00000 -1.20000 AFIX 5 C7 1 0.767556 1.012174 -0.018022 11.00000 0.10385 0.08444 = 0.07486 0.00626 0.00176 -0.00742 AFIX 33 H7A 2 0.778044 1.030971 -0.063748 11.00000 -1.50000 H7B 2 0.747855 1.058070 0.002033 11.00000 -1.50000 H7C 2 0.818901 0.991067 -0.001738 11.00000 -1.50000 AFIX 5 C8 1 0.615324 0.973513 -0.024861 11.00000 0.11454 0.12469 = 0.06193 -0.02098 -0.01252 0.01295 AFIX 33 H8A 2 0.621864 0.992199 -0.070685 11.00000 -1.50000 H8B 2 0.574642 0.928641 -0.013408 11.00000 -1.50000 H8C 2 0.596140 1.019006 -0.004156 11.00000 -1.50000 AFIX 0 C9 1 0.805033 0.542106 0.029419 11.00000 0.07165 0.07606 = 0.05223 -0.01059 -0.00477 0.01616 AFIX 13 H9 2 0.768147 0.568296 -0.002261 11.00000 -1.20000 AFIX 0 C10 1 0.896704 0.573269 0.011443 11.00000 0.09432 0.11287 = 0.08361 -0.01255 -0.01033 0.01952 AFIX 33 H10A 2 0.897924 0.633283 0.003706 11.00000 -1.50000 H10B 2 0.929172 0.551924 0.046112 11.00000 -1.50000 H10C 2 0.920397 0.554106 -0.026741 11.00000 -1.50000 AFIX 0 C11 1 0.797473 0.446296 0.042630 11.00000 0.11166 0.09903 = 0.10170 -0.03452 0.01397 0.00762 AFIX 33 H11A 2 0.739088 0.430117 0.053617 11.00000 -1.50000 H11B 2 0.819916 0.425535 0.004838 11.00000 -1.50000 H11C 2 0.828691 0.423354 0.077691 11.00000 -1.50000 AFIX 0 C12 1 0.588953 0.484810 0.142597 11.00000 0.05742 0.06140 = 0.05542 -0.02394 -0.00854 -0.00401 AFIX 13 H12 2 0.637381 0.451555 0.156658 11.00000 -1.20000 AFIX 0 C13 1 0.528802 0.499751 0.200917 11.00000 0.08125 0.07392 = 0.07963 -0.01455 -0.00458 -0.00886 AFIX 137 H13A 2 0.529264 0.558088 0.203156 11.00000 -1.50000 H13B 2 0.546907 0.467689 0.239504 11.00000 -1.50000 H13C 2 0.472566 0.482833 0.196614 11.00000 -1.50000 AFIX 0 C14 1 0.543616 0.442214 0.097606 11.00000 0.09520 0.09990 = 0.11055 -0.03502 -0.00053 -0.01767 AFIX 33 H14A 2 0.523861 0.387875 0.119867 11.00000 -1.50000 H14B 2 0.496422 0.475484 0.084217 11.00000 -1.50000 H14C 2 0.582132 0.436569 0.060519 11.00000 -1.50000 AFIX 0 C15 1 0.897634 0.561463 0.239406 11.00000 0.05294 0.05503 = 0.05128 -0.01444 -0.00062 0.00500 AFIX 23 H15A 2 0.850095 0.551311 0.217175 11.00000 -1.20000 H15B 2 0.947338 0.537426 0.219210 11.00000 -1.20000 AFIX 0 C16 1 0.880800 0.517206 0.310118 11.00000 0.05923 0.05017 = 0.05756 -0.01379 -0.00600 0.00359 AFIX 23 H16A 2 0.905955 0.550045 0.336778 11.00000 -1.20000 H16B 2 0.908210 0.463208 0.315011 11.00000 -1.20000 AFIX 0 C17 1 1.044340 0.720259 0.136421 11.00000 0.06365 0.07612 = 0.07253 -0.01032 0.00043 -0.01006 AFIX 13 H17 2 1.070438 0.744286 0.168427 11.00000 -1.20000 AFIX 0 C18 1 1.087636 0.637869 0.129841 11.00000 0.08272 0.10475 = 0.10891 -0.01534 0.01128 -0.00936 AFIX 33 H18A 2 1.146417 0.648135 0.114772 11.00000 -1.50000 H18B 2 1.082225 0.600973 0.170956 11.00000 -1.50000 H18C 2 1.061560 0.612559 0.099647 11.00000 -1.50000 AFIX 0 C19 1 1.052394 0.784031 0.073174 11.00000 0.12654 0.11974 = 0.12652 0.02862 0.01637 0.00497 AFIX 33 H19A 2 1.111086 0.794403 0.057831 11.00000 -1.50000 H19B 2 1.025181 0.762329 0.041721 11.00000 -1.50000 H19C 2 1.025962 0.835315 0.080346 11.00000 -1.50000 AFIX 0 C20 1 0.976026 0.749334 0.317400 11.00000 0.05846 0.07358 = 0.06959 -0.02389 -0.00067 0.00011 AFIX 13 H20 2 0.924380 0.782342 0.313534 11.00000 -1.20000 AFIX 0 C21 1 1.053386 0.806026 0.293387 11.00000 0.11365 0.09700 = 0.12641 -0.03541 -0.01200 -0.01793 AFIX 33 H21A 2 1.054387 0.848166 0.319367 11.00000 -1.50000 H21B 2 1.103792 0.773255 0.296321 11.00000 -1.50000 H21C 2 1.050557 0.832256 0.249393 11.00000 -1.50000 AFIX 0 C22 1 0.976440 0.703315 0.386389 11.00000 0.11710 0.09284 = 0.11643 -0.03151 -0.00617 0.01284 AFIX 137 H22A 2 1.017785 0.728394 0.406487 11.00000 -1.50000 H22B 2 0.990220 0.645704 0.386562 11.00000 -1.50000 H22C 2 0.921576 0.706778 0.409698 11.00000 -1.50000 AFIX 0 C23 1 0.790221 0.495961 0.464708 11.00000 0.06751 0.06886 = 0.06071 -0.02595 -0.00968 -0.00185 AFIX 13 H23 2 0.840500 0.469956 0.482146 11.00000 -1.20000 AFIX 0 C24 1 0.804404 0.588141 0.432988 11.00000 0.12447 0.07687 = 0.11860 -0.00506 -0.00111 -0.00011 AFIX 137 H24A 2 0.863907 0.599289 0.422369 11.00000 -1.50000 H24B 2 0.781161 0.623016 0.462261 11.00000 -1.50000 H24C 2 0.777022 0.599808 0.394483 11.00000 -1.50000 AFIX 0 C25 1 0.712103 0.488497 0.515200 11.00000 0.11202 0.09797 = 0.08262 -0.00716 -0.00576 -0.02611 AFIX 33 H25A 2 0.702881 0.430914 0.535240 11.00000 -1.50000 H25B 2 0.721142 0.520750 0.547257 11.00000 -1.50000 H25C 2 0.663498 0.509165 0.494639 11.00000 -1.50000 AFIX 0 C26 1 0.760725 0.350105 0.302985 11.00000 0.05589 0.05269 = 0.05252 -0.01665 -0.01749 0.01767 AFIX 13 H26 2 0.819879 0.347292 0.311655 11.00000 -1.20000 AFIX 0 C27 1 0.754629 0.333388 0.235581 11.00000 0.10727 0.07095 = 0.08413 -0.02542 -0.01022 0.02734 AFIX 33 H27A 2 0.775691 0.278563 0.232647 11.00000 -1.50000 H27B 2 0.696676 0.336733 0.227110 11.00000 -1.50000 H27C 2 0.787682 0.374341 0.204533 11.00000 -1.50000 AFIX 0 C28 1 0.706966 0.288530 0.355222 11.00000 0.08887 0.05940 = 0.09238 -0.02339 -0.01529 0.00302 AFIX 33 H28A 2 0.726807 0.232681 0.354835 11.00000 -1.50000 H28B 2 0.711529 0.302377 0.396581 11.00000 -1.50000 H28C 2 0.648954 0.292037 0.346906 11.00000 -1.50000 AFIX 0 C29 1 0.469193 0.864518 0.191908 11.00000 0.04562 0.05147 = 0.05144 -0.01739 -0.00880 0.00227 AFIX 23 H29A 2 0.520676 0.885766 0.165183 11.00000 -1.20000 H29B 2 0.422041 0.886704 0.169195 11.00000 -1.20000 AFIX 0 C30 1 0.464359 0.898375 0.254620 11.00000 0.04377 0.04982 = 0.04793 -0.01856 -0.00855 0.00555 AFIX 23 H30A 2 0.432929 0.858343 0.288364 11.00000 -1.20000 H30B 2 0.432177 0.949694 0.249303 11.00000 -1.20000 AFIX 0 C31 1 0.421435 0.742461 0.082818 11.00000 0.06358 0.07394 = 0.06325 -0.02109 -0.00503 -0.00675 AFIX 13 H31 2 0.445747 0.796016 0.059335 11.00000 -1.20000 AFIX 0 C32 1 0.434421 0.686964 0.031774 11.00000 0.10559 0.10576 = 0.09533 -0.04713 -0.01134 -0.00193 AFIX 33 H32A 2 0.398290 0.705411 -0.001078 11.00000 -1.50000 H32B 2 0.492317 0.690725 0.012914 11.00000 -1.50000 H32C 2 0.420785 0.630012 0.051531 11.00000 -1.50000 AFIX 0 C33 1 0.328396 0.763450 0.095923 11.00000 0.09908 0.10092 = 0.09880 -0.01967 -0.01531 0.00058 AFIX 137 H33A 2 0.317319 0.816692 0.070299 11.00000 -1.50000 H33B 2 0.314905 0.765750 0.140682 11.00000 -1.50000 H33C 2 0.294296 0.721143 0.085053 11.00000 -1.50000 AFIX 0 C34 1 0.333713 0.639275 0.259336 11.00000 0.06769 0.06693 = 0.06218 -0.01973 0.00186 -0.00274 AFIX 13 H34 2 0.272047 0.642873 0.267227 11.00000 -1.20000 AFIX 0 C35 1 0.366300 0.602562 0.199608 11.00000 0.10178 0.10034 = 0.09725 -0.01538 -0.00305 -0.00148 AFIX 137 H35A 2 0.341409 0.631894 0.162973 11.00000 -1.50000 H35B 2 0.351134 0.544384 0.206895 11.00000 -1.50000 H35C 2 0.426686 0.608505 0.191694 11.00000 -1.50000 AFIX 0 C36 1 0.375843 0.591288 0.316524 11.00000 0.08250 0.07993 = 0.08288 -0.00878 0.01346 -0.01805 AFIX 33 H36A 2 0.356568 0.612994 0.354553 11.00000 -1.50000 H36B 2 0.361166 0.533039 0.323196 11.00000 -1.50000 H36C 2 0.436098 0.597874 0.307525 11.00000 -1.50000 AFIX 0 C37 1 0.592735 0.964749 0.388831 11.00000 0.06001 0.05466 = 0.05403 -0.02029 -0.01560 0.01422 AFIX 13 H37 2 0.651117 0.962153 0.368920 11.00000 -1.20000 AFIX 0 C38 1 0.571499 0.889628 0.443220 11.00000 0.08273 0.05779 = 0.05736 -0.02512 -0.00367 0.02923 AFIX 33 H38A 2 0.608585 0.889418 0.475698 11.00000 -1.50000 H38B 2 0.513999 0.893379 0.461729 11.00000 -1.50000 H38C 2 0.578589 0.838946 0.426364 11.00000 -1.50000 AFIX 0 C39 1 0.575782 1.048351 0.410794 11.00000 0.09528 0.07812 = 0.06405 -0.04772 -0.02082 0.01188 AFIX 33 H39A 2 0.614038 1.055355 0.441092 11.00000 -1.50000 H39B 2 0.584034 1.093156 0.374226 11.00000 -1.50000 H39C 2 0.518643 1.048964 0.430834 11.00000 -1.50000 AFIX 0 C40 1 0.574358 1.073397 0.209696 11.00000 0.04503 0.05129 = 0.04889 -0.01836 -0.00749 0.02004 AFIX 13 H40 2 0.520184 1.078702 0.235540 11.00000 -1.20000 AFIX 0 C41 1 0.638277 1.135991 0.222162 11.00000 0.07662 0.06792 = 0.06231 -0.00942 -0.02357 -0.01942 AFIX 33 H41A 2 0.617810 1.191780 0.210146 11.00000 -1.50000 H41B 2 0.645757 1.125378 0.267040 11.00000 -1.50000 H41C 2 0.691409 1.130126 0.197129 11.00000 -1.50000 AFIX 0 C42 1 0.561794 1.087342 0.138596 11.00000 0.05608 0.08248 = 0.07013 -0.00634 -0.01314 0.01431 AFIX 33 H42A 2 0.539604 1.142245 0.125757 11.00000 -1.50000 H42B 2 0.615045 1.082307 0.113468 11.00000 -1.50000 H42C 2 0.522822 1.046254 0.131796 11.00000 -1.50000 AFIX 0 HKLF 4 REM 221122d in P-1 REM wR2 = 0.1989, GooF = S = 1.064, Restrained GooF = 0.992 for all data REM R1 = 0.0800 for 9535 Fo > 4sig(Fo) and 0.1495 for all 18544 data REM 932 parameters refined using 4297 restraints END WGHT 0.1126 0.0000 REM Instructions for potential hydrogen bonds EQIV $1 -x+1, -y+1, -z+1 HTAB O59 O30_$1 HTAB O59 O47 EQIV $2 -x+1, -y+1, -z HTAB C10 O34_$2 HTAB C16 O49 EQIV $3 x+1, y, z HTAB C16 O10_$3 EQIV $4 x+1, y+1, z HTAB C21 O39_$4 HTAB C24 O30_$1 HTAB C24 O50 HTAB C24 O59 HTAB C27 O40_$3 HTAB C33 O55 HTAB C35 O35 HTAB C35 O54 REM Highest difference peak 3.842, deepest hole -2.896, 1-sigma level 0.395 Q1 1 -0.0521 0.0969 0.2878 11.00000 0.05 3.32 Q2 1 0.0414 0.2938 0.1977 11.00000 0.05 3.30 Q3 1 0.0323 0.2832 0.4096 11.00000 0.05 2.97 Q4 1 0.3068 0.1366 0.3668 11.00000 0.05 2.96 Q5 1 0.0104 0.1534 0.4300 11.00000 0.05 2.95 Q6 1 0.1113 0.3429 0.3434 11.00000 0.05 2.90 Q7 1 0.1243 0.4751 0.3213 11.00000 0.05 2.86 Q8 1 0.2368 0.3277 0.4174 11.00000 0.05 2.85 Q9 1 0.2382 0.0905 0.2174 11.00000 0.05 2.82 Q10 1 0.4000 0.3326 0.2780 11.00000 0.05 2.74 Q11 1 0.0847 0.0924 0.3587 11.00000 0.05 2.72 Q12 1 0.2236 0.2002 0.4404 11.00000 0.05 2.70 Q13 1 0.1255 0.2378 0.1221 11.00000 0.05 2.70 Q14 1 -0.0328 0.2342 0.2629 11.00000 0.05 2.64 Q15 1 0.2217 -0.0446 0.2442 11.00000 0.05 2.61 Q16 1 0.2727 0.4775 0.1788 11.00000 0.05 2.61 Q17 1 0.0771 -0.0428 0.3846 11.00000 0.05 2.59 Q18 1 0.1056 0.1023 0.1469 11.00000 0.05 2.59 Q19 1 0.0580 0.4314 0.1700 11.00000 0.05 2.58 Q20 1 0.3783 0.2026 0.2991 11.00000 0.05 2.51 ; _shelx_res_checksum 66323 _shelx_hkl_file ; 0 0 3 5.62 0.79 0 0 4 233.60 5.08 0 0 5 108.95 3.88 0 0 6 63.95 3.17 0 0 7 333.31 7.78 0 0 8 11.11 1.79 0 0 9 67.37 4.05 0 0 10 -0.10 1.79 0 0 11 5.90 2.32 0 0 12 14.11 3.13 0 0 13 107.88 6.13 0 0 14 167.72 8.05 0 0 15 4.89 2.27 0 0 16 56.07 5.25 0 0 17 14.29 3.25 0 0 18 32.65 4.84 0 0 19 0.23 2.39 0 0 20 192.40 10.60 0 -1 20 189.04 10.18 0 -1 19 13.53 4.14 0 -1 18 1.73 3.11 0 -1 17 98.45 6.79 0 -1 16 2.10 2.73 0 -1 15 4.18 2.77 0 -1 14 27.92 3.93 0 -1 13 16.32 3.21 0 -1 12 125.31 6.03 0 -1 11 25.01 2.82 0 -1 10 1.99 1.24 0 -1 9 138.74 5.16 0 -1 8 1134.31 14.61 0 -1 7 41.77 2.54 0 -1 6 693.35 9.69 0 -1 5 0.38 0.81 0 -1 4 413.56 6.10 0 -1 3 268.66 4.44 0 -1 2 37.34 1.38 0 1 2 155.94 4.12 0 1 3 16.01 1.54 0 1 4 75.77 3.29 0 1 5 327.46 7.53 0 1 6 31.84 2.73 0 1 7 33.74 3.13 0 1 8 26.11 3.07 0 1 9 3.63 2.15 0 1 10 139.87 6.41 0 1 11 0.22 2.46 0 1 12 177.37 8.06 0 1 13 653.25 15.78 0 1 14 343.61 11.98 0 1 15 407.70 13.14 0 1 16 5.08 3.62 0 1 17 159.37 9.29 0 1 18 4.72 3.65 0 1 19 22.09 4.54 0 1 20 17.44 4.03 0 1 21 52.97 6.80 0 -2 20 8.23 4.40 0 -2 19 5.53 3.75 0 -2 18 5.35 3.19 0 -2 17 4.75 3.32 0 -2 16 84.52 6.47 0 -2 15 3.49 2.27 0 -2 14 123.49 6.70 0 -2 13 -0.73 1.46 0 -2 12 125.76 6.09 0 -2 11 13.74 2.39 0 -2 10 11.81 2.09 0 -2 9 701.33 12.12 0 -2 8 226.90 6.29 0 -2 7 2637.72 23.92 0 -2 6 37.59 2.40 0 -2 5 276.02 5.70 0 -2 4 4.04 0.92 0 -2 3 263.70 4.96 0 -2 2 2.53 0.59 0 -2 1 21.68 1.37 0 -2 0 294.60 5.48 0 -2 -1 43.81 2.47 0 2 2 16.28 2.03 0 2 3 46.34 2.99 0 2 4 116.48 4.76 0 2 5 167.60 5.63 0 2 6 599.01 11.63 0 2 7 161.44 6.41 0 2 8 5.63 2.10 0 2 9 140.80 6.43 0 2 10 0.82 2.32 0 2 11 8.41 2.54 0 2 12 21.29 3.90 0 2 13 819.66 18.89 0 2 14 625.71 16.91 0 2 15 270.49 11.73 0 2 16 19.07 3.94 0 2 17 -4.54 3.24 0 2 18 165.34 9.80 0 2 19 24.12 5.44 0 2 20 9.81 5.02 0 2 21 8.36 4.78 0 -3 19 1.46 3.67 0 -3 18 -0.19 2.14 0 -3 17 35.10 4.68 0 -3 16 311.57 11.22 0 -3 15 780.24 16.98 0 -3 14 62.69 5.13 0 -3 13 105.37 5.91 0 -3 12 -1.91 1.81 0 -3 11 180.35 6.77 0 -3 10 86.24 4.53 0 -3 9 16.02 2.21 0 -3 8 75.78 3.65 0 -3 7 135.36 4.64 0 -3 6 484.11 8.75 0 -3 5 37.85 2.43 0 -3 4 42.10 2.33 0 -3 3 35.82 2.16 0 -3 2 110.74 3.56 0 -3 1 30.63 1.98 0 -3 0 44.41 2.67 0 -3 -1 331.03 7.62 0 3 2 66.94 4.67 0 3 3 208.88 7.57 0 3 4 79.47 4.83 0 3 5 1186.65 19.06 0 3 6 1066.55 17.67 0 3 7 759.84 14.56 0 3 8 250.14 8.52 0 3 9 47.19 4.43 0 3 10 392.62 11.99 0 3 11 11.39 2.94 0 3 12 24.51 4.12 0 3 13 3.02 3.65 0 3 14 99.25 7.84 0 3 15 45.37 6.11 0 3 16 -0.08 3.96 0 3 17 17.64 4.35 0 3 18 22.80 5.40 0 3 19 29.65 5.96 0 3 20 8.29 4.79 0 3 21 23.32 6.01 0 -4 19 59.14 5.82 0 -4 18 -2.23 2.83 0 -4 17 8.35 2.66 0 -4 16 296.69 10.70 0 -4 15 319.70 10.81 0 -4 14 956.64 17.85 0 -4 13 17.59 2.73 0 -4 12 1.72 2.02 0 -4 11 -0.64 1.23 0 -4 10 156.61 6.26 0 -4 9 1.11 1.50 0 -4 8 10.38 1.94 0 -4 7 21.49 2.11 0 -4 6 -0.49 0.86 0 -4 5 0.96 0.93 0 -4 4 4.14 1.35 0 -4 3 255.96 6.27 0 -4 2 44.74 2.73 0 -4 1 1086.34 13.92 0 -4 0 401.46 8.88 0 -4 -1 5.74 1.75 0 4 2 342.38 10.54 0 4 3 6.06 3.04 0 4 4 3.90 2.65 0 4 5 10.88 3.05 0 4 6 1318.84 21.82 0 4 7 193.13 8.17 0 4 8 390.36 11.67 0 4 9 9.88 2.70 0 4 10 1.83 2.83 0 4 11 530.23 14.57 0 4 12 8.06 3.07 0 4 13 57.58 6.47 0 4 14 12.45 3.55 0 4 15 10.85 4.63 0 4 16 69.14 6.83 0 4 17 3.32 3.57 0 4 18 22.30 5.79 0 4 19 11.39 5.39 0 4 20 16.01 4.70 0 4 21 6.99 5.34 0 4 22 -1.02 4.76 0 -5 19 -5.85 3.01 0 -5 18 101.90 7.38 0 -5 17 4.57 3.07 0 -5 16 52.28 5.26 0 -5 15 41.41 4.89 0 -5 14 104.76 6.69 0 -5 13 22.77 3.32 0 -5 12 -0.88 2.13 0 -5 11 45.57 3.94 0 -5 10 26.47 2.81 0 -5 9 18.29 2.55 0 -5 8 25.35 2.72 0 -5 7 15.63 2.04 0 -5 6 133.22 5.12 0 -5 5 25.09 2.34 0 -5 4 145.36 5.24 0 -5 3 6.90 1.69 0 -5 2 627.40 11.30 0 -5 1 186.45 6.16 0 -5 0 381.66 9.57 0 -5 -1 -0.01 1.32 0 -5 -2 124.08 6.35 0 5 3 417.41 14.20 0 5 4 26.25 3.83 0 5 5 15.72 3.01 0 5 6 24.16 3.51 0 5 7 25.08 3.88 0 5 8 39.21 4.21 0 5 9 144.29 8.23 0 5 10 55.35 5.34 0 5 11 89.22 6.59 0 5 12 92.00 6.77 0 5 13 2.78 2.99 0 5 14 221.01 11.48 0 5 15 7.28 3.65 0 5 16 210.23 11.25 0 5 17 7.60 4.79 0 5 18 2.06 5.00 0 5 19 44.80 7.37 0 5 20 6.90 4.19 0 5 21 38.73 7.55 0 5 22 6.89 5.64 0 -6 18 2.55 3.24 0 -6 17 33.88 4.73 0 -6 16 0.27 2.50 0 -6 15 2.94 2.82 0 -6 14 -2.64 1.89 0 -6 13 8.76 3.28 0 -6 12 12.45 3.04 0 -6 11 1.22 2.14 0 -6 10 127.03 6.07 0 -6 9 26.59 3.25 0 -6 8 274.74 8.35 0 -6 7 30.83 2.88 0 -6 6 29.85 2.77 0 -6 5 65.90 3.99 0 -6 4 12.62 2.13 0 -6 3 25.29 2.58 0 -6 2 3.73 1.43 0 -6 1 913.84 15.63 0 -6 0 108.61 5.57 0 -6 -1 156.38 6.93 0 -6 -2 22.92 3.04 0 6 3 33.76 4.69 0 6 4 204.64 11.18 0 6 6 59.31 5.45 0 6 7 22.50 3.57 0 6 8 201.71 9.96 0 6 9 98.48 7.58 0 6 10 29.86 5.13 0 6 11 3.14 2.60 0 6 12 33.19 5.33 0 6 13 20.81 4.94 0 6 14 -0.08 3.06 0 6 15 11.59 5.01 0 6 16 35.39 5.88 0 6 17 3.24 4.88 0 6 18 19.44 5.54 0 6 19 26.57 6.51 0 6 20 -1.19 5.18 0 6 21 11.99 5.12 0 6 22 3.64 5.90 0 -7 18 4.48 3.53 0 -7 17 1.43 3.16 0 -7 16 8.22 3.37 0 -7 15 0.11 2.62 0 -7 14 7.86 2.54 0 -7 13 87.47 6.14 0 -7 12 21.77 3.75 0 -7 11 11.35 2.89 0 -7 10 10.45 2.87 0 -7 9 391.08 10.77 0 -7 8 1.31 1.58 0 -7 7 132.71 6.20 0 -7 6 18.62 2.58 0 -7 5 154.04 6.18 0 -7 4 348.58 9.66 0 -7 3 50.78 3.69 0 -7 2 64.85 4.28 0 -7 1 17.59 2.69 0 -7 0 49.79 4.14 0 -7 -1 5.75 2.56 0 -7 -2 269.30 10.95 0 7 3 72.92 6.55 0 7 4 130.34 9.69 0 7 5 155.80 10.51 0 7 6 23.69 4.27 0 7 7 236.33 11.66 0 7 8 1.26 2.47 0 7 9 141.49 8.96 0 7 10 -1.85 3.57 0 7 11 4.08 3.04 0 7 12 30.46 5.54 0 7 13 10.00 3.56 0 7 14 15.36 4.16 0 7 15 6.50 4.64 0 7 16 25.26 6.19 0 7 17 6.91 5.45 0 7 18 44.51 7.70 0 7 19 9.29 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7 79.50 5.53 0 -9 6 -2.95 1.57 0 -9 5 261.82 9.28 0 -9 4 25.35 3.71 0 -9 3 61.96 4.77 0 -9 2 62.39 5.30 0 -9 1 15.59 2.90 0 -9 0 173.43 8.36 0 -9 -1 3.40 2.16 0 -9 -2 222.04 11.26 0 9 3 1.35 2.65 0 9 4 5.06 4.50 0 9 5 35.67 6.35 0 9 6 8.66 3.99 0 9 7 0.38 4.12 0 9 8 32.65 5.43 0 9 9 25.29 4.97 0 9 10 5.30 4.48 0 9 11 61.36 7.69 0 9 12 14.39 5.05 0 9 13 139.86 10.77 0 9 14 69.49 7.42 0 9 15 83.55 8.66 0 9 16 47.86 7.81 0 9 17 6.77 5.43 0 9 18 72.82 8.15 0 9 19 0.15 4.14 0 9 20 32.66 8.03 0 9 21 0.50 5.94 0 9 22 6.96 6.17 0 9 23 24.52 6.95 0 -10 17 4.25 3.69 0 -10 16 2.77 2.76 0 -10 15 18.64 4.54 0 -10 14 1.95 2.67 0 -10 13 8.39 3.60 0 -10 12 5.52 3.35 0 -10 11 45.45 5.09 0 -10 10 -0.60 1.83 0 -10 9 10.99 3.09 0 -10 8 11.31 3.23 0 -10 7 8.16 2.90 0 -10 6 70.29 5.41 0 -10 5 -1.89 1.58 0 -10 4 4.56 2.24 0 -10 3 0.18 2.72 0 -10 2 12.77 3.05 0 -10 1 18.27 3.39 0 -10 0 -3.37 2.76 0 -10 -1 10.70 3.55 0 -10 -2 0.25 2.40 0 10 3 5.27 3.30 0 10 4 3.39 3.67 0 10 5 0.58 5.25 0 10 6 3.61 5.19 0 10 7 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6 63.00 4.57 1 3 7 1.12 1.75 1 3 8 6.06 2.72 1 3 9 5.06 2.33 1 3 10 22.60 4.16 1 3 11 57.81 5.59 1 3 12 1.80 2.97 1 3 13 6.80 3.87 1 3 14 4.52 3.12 1 3 15 2.30 3.20 1 3 16 23.77 5.48 1 3 17 16.20 5.36 1 3 18 55.51 6.62 1 3 19 8.28 5.02 1 3 20 113.46 9.73 1 3 21 6.57 5.06 1 3 22 68.26 8.57 1 3 23 14.24 6.25 -1 -4 17 1.03 2.62 -1 -4 16 85.67 6.04 -1 -4 15 17.01 3.57 -1 -4 14 169.26 7.56 -1 -4 13 27.86 3.46 -1 -4 12 2.25 2.08 -1 -4 11 90.21 4.87 -1 -4 10 1.62 1.64 -1 -4 9 237.95 6.98 -1 -4 8 32.70 2.65 -1 -4 7 70.78 3.60 -1 -4 6 91.60 3.84 -1 -4 5 49.25 2.90 -1 -4 4 279.77 6.44 -1 -4 3 17.09 1.80 -1 -4 2 236.71 5.94 -1 -4 1 1.01 1.25 -1 -4 0 147.81 5.48 -1 -4 -1 50.04 3.72 1 4 2 85.47 6.06 1 4 3 68.43 4.98 1 4 4 39.00 3.96 1 4 5 53.73 4.41 1 4 6 20.48 3.01 1 4 7 48.64 4.84 1 4 8 3.54 1.98 1 4 9 194.77 9.06 1 4 10 54.21 5.32 1 4 11 121.67 7.75 1 4 12 75.49 6.57 1 4 13 48.54 6.26 1 4 14 351.01 13.55 1 4 15 1.20 4.24 1 4 16 165.74 10.80 1 4 17 2.87 3.78 1 4 18 37.04 6.95 1 4 19 14.67 5.73 1 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24.39 5.21 2 4 15 194.96 11.67 2 4 16 -1.89 3.03 2 4 17 5.45 5.48 2 4 18 1.33 3.95 2 4 19 21.15 6.66 2 4 20 43.10 7.80 2 4 21 15.01 4.97 2 4 22 10.74 4.80 2 4 23 28.17 7.33 2 4 24 132.10 12.59 2 4 25 12.89 7.68 -2 -5 15 0.92 2.17 -2 -5 14 87.69 5.56 -2 -5 13 5.42 2.24 -2 -5 12 81.91 4.83 -2 -5 11 28.95 3.04 -2 -5 10 27.75 2.86 -2 -5 9 51.64 3.47 -2 -5 8 14.96 2.13 -2 -5 7 61.98 3.49 -2 -5 6 0.22 1.13 -2 -5 5 147.03 5.01 -2 -5 4 42.92 2.92 -2 -5 3 107.36 4.55 -2 -5 2 63.99 3.85 -2 -5 1 102.18 4.99 -2 -5 0 36.59 3.21 2 5 1 0.26 2.16 2 5 2 377.24 13.17 2 5 3 1.21 2.01 2 5 4 294.75 11.16 2 5 5 32.07 4.23 2 5 6 18.21 3.45 2 5 7 77.27 5.94 2 5 8 149.62 8.06 2 5 9 179.49 8.78 2 5 10 24.28 4.11 2 5 11 1.12 2.63 2 5 12 46.67 6.18 2 5 13 86.71 7.60 2 5 14 5.94 3.88 2 5 15 41.83 5.83 2 5 16 44.60 6.87 2 5 17 -0.11 5.58 2 5 18 25.11 5.92 2 5 19 6.90 6.02 2 5 20 57.14 7.75 2 5 21 13.01 6.69 2 5 22 2.38 6.15 2 5 23 82.97 9.71 2 5 24 47.28 9.45 2 5 25 365.76 19.66 -2 -6 15 2.68 2.37 -2 -6 14 9.99 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183.60 8.73 2 7 1 63.22 5.56 2 7 2 27.76 4.95 2 7 3 5.62 2.88 2 7 4 11.09 3.24 2 7 5 -0.61 2.12 2 7 6 94.02 7.29 2 7 7 3.73 2.64 2 7 8 3.83 3.75 2 7 9 88.71 7.69 2 7 10 19.46 5.20 2 7 11 35.53 5.91 2 7 12 2.07 2.97 2 7 13 206.76 12.15 2 7 14 2.52 3.45 2 7 15 29.95 6.63 2 7 16 383.08 17.50 2 7 17 288.52 16.49 2 7 18 603.06 21.89 2 7 19 5.61 4.21 2 7 20 10.01 6.27 2 7 21 5.08 6.92 2 7 22 59.55 9.85 2 7 23 -3.15 6.78 2 7 24 -11.92 6.52 2 7 25 -5.18 7.76 2 7 26 -0.77 7.41 -2 -8 14 0.14 2.35 -2 -8 13 87.63 5.88 -2 -8 12 7.17 2.94 -2 -8 11 273.79 9.76 -2 -8 10 1.31 2.05 -2 -8 9 5.21 1.84 -2 -8 8 22.36 3.19 -2 -8 7 64.33 4.54 -2 -8 6 2.22 1.91 -2 -8 5 8.11 2.55 -2 -8 4 572.66 13.53 -2 -8 3 8.02 2.15 -2 -8 2 76.99 5.29 -2 -8 1 -0.59 2.18 -2 -8 0 41.11 4.68 2 8 1 5.22 3.04 2 8 2 14.48 3.64 2 8 3 3.50 2.94 2 8 4 -0.72 2.34 2 8 5 109.41 8.55 2 8 6 6.22 2.98 2 8 7 33.78 5.53 2 8 8 145.24 9.89 2 8 9 700.31 21.22 2 8 10 886.97 23.74 2 8 11 120.72 9.86 2 8 12 61.11 6.75 2 8 13 2.45 4.51 2 8 14 108.51 9.18 2 8 15 7.84 4.10 2 8 16 83.85 9.57 2 8 17 112.66 11.05 2 8 18 85.21 10.70 2 8 19 32.82 6.92 2 8 20 3.59 4.41 2 8 21 29.58 7.87 2 8 22 4.34 6.96 2 8 23 -1.02 6.66 2 8 24 -12.76 7.45 2 8 26 10.92 8.90 -2 -9 14 3.15 2.62 -2 -9 13 18.59 3.06 -2 -9 12 193.47 8.47 -2 -9 11 29.98 4.02 -2 -9 10 174.31 7.89 -2 -9 9 0.77 2.29 -2 -9 8 40.55 3.79 -2 -9 7 55.42 4.64 -2 -9 6 55.56 4.68 -2 -9 5 31.98 3.67 -2 -9 4 5.45 2.16 -2 -9 3 2.25 1.95 -2 -9 2 -2.91 2.12 -2 -9 1 41.17 4.54 -2 -9 0 2.32 3.33 2 9 1 94.19 7.83 2 9 2 173.86 10.77 2 9 3 67.02 7.66 2 9 4 5.54 3.51 2 9 5 12.43 4.77 2 9 6 199.81 11.98 2 9 7 -2.61 3.96 2 9 8 141.54 10.34 2 9 9 292.92 14.48 2 9 10 567.47 20.49 2 9 11 443.33 17.13 2 9 12 8.45 5.40 2 9 13 42.02 6.10 2 9 14 29.39 6.22 2 9 15 48.82 7.82 2 9 16 6.33 5.72 2 9 17 5.26 4.55 2 9 18 -2.82 4.05 2 9 19 10.83 7.06 2 9 20 11.29 7.66 2 9 21 9.07 6.80 2 9 22 72.34 9.65 2 9 23 27.94 9.45 2 9 24 104.72 12.07 2 9 25 19.72 9.35 2 9 26 7.76 8.53 -2 -10 13 3.32 2.74 -2 -10 12 18.80 3.27 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1.27 -4 -6 7 0.15 1.43 -4 -6 6 23.03 2.63 -4 -6 5 358.41 9.25 -4 -6 4 372.10 9.71 -4 -6 3 184.70 6.87 4 6 -1 1.18 2.22 4 6 0 153.81 9.11 4 6 1 0.63 1.90 4 6 2 132.02 8.03 4 6 3 248.75 11.15 4 6 4 511.21 15.56 4 6 5 292.94 12.12 4 6 6 16.62 3.97 4 6 7 72.77 6.90 4 6 8 8.60 3.23 4 6 9 63.13 6.45 4 6 10 13.51 3.91 4 6 11 -3.25 2.59 4 6 12 63.66 7.60 4 6 13 8.43 4.29 4 6 14 57.16 7.53 4 6 15 13.71 6.47 4 6 16 112.69 10.52 4 6 17 13.95 5.25 4 6 18 149.13 12.35 4 6 19 2.25 6.98 4 6 20 0.23 5.02 4 6 21 58.48 8.97 4 6 22 0.21 6.86 4 6 23 1.83 7.56 4 6 24 0.63 7.71 4 6 25 30.83 8.13 4 6 26 1.28 5.52 4 6 27 -4.98 5.54 -4 -7 10 9.10 2.45 -4 -7 9 0.18 1.55 -4 -7 8 198.37 7.06 -4 -7 7 0.06 1.54 -4 -7 6 6.70 2.19 -4 -7 5 69.57 4.69 -4 -7 4 723.84 14.70 -4 -7 3 553.10 13.00 -4 -7 2 77.43 6.27 4 7 -1 10.80 2.66 4 7 0 7.60 2.87 4 7 1 484.56 16.18 4 7 2 10.41 3.00 4 7 3 3.92 3.11 4 7 4 18.34 3.71 4 7 5 1.14 3.01 4 7 6 29.56 5.05 4 7 7 33.66 5.60 4 7 8 173.33 10.46 4 7 9 4.51 3.12 4 7 10 12.05 4.59 4 7 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6.35 -5 9 11 3.46 4.41 -5 9 10 75.28 8.22 -5 9 9 23.80 5.19 -5 9 8 47.43 8.43 -5 9 7 63.60 9.60 -5 9 6 12.33 4.54 5 -9 -5 114.03 9.39 5 -9 -3 0.45 2.47 5 -9 -2 10.48 4.19 5 -9 -1 88.35 6.96 5 -9 0 362.19 12.66 5 -9 1 26.88 4.04 5 -9 2 -2.35 2.40 5 -9 3 0.85 1.79 5 -9 4 140.20 7.92 5 -9 5 0.68 1.89 5 -9 6 21.46 3.37 5 -9 7 25.22 3.59 5 -9 8 24.31 3.66 5 -9 9 0.91 2.86 5 -9 10 -0.57 2.93 5 -9 11 -3.75 2.97 5 -9 12 -7.11 3.16 5 -9 13 3.96 3.74 5 -9 14 0.67 2.43 5 -9 15 3.08 3.82 5 -9 16 35.14 5.92 5 -9 17 -1.94 3.83 5 -9 18 0.24 4.28 5 -9 19 4.93 4.93 5 -9 20 108.77 10.33 5 -9 21 32.26 7.33 5 -9 22 31.09 6.30 -5 8 13 176.45 10.40 -5 8 12 7.34 4.29 -5 8 11 128.97 9.31 -5 8 10 9.34 4.37 -5 8 9 1.39 4.18 -5 8 8 6.10 4.90 -5 8 7 11.88 5.78 -5 8 6 35.46 6.66 5 -8 -5 4.43 3.61 5 -8 -4 113.14 7.41 5 -8 -3 -1.40 2.65 5 -8 -2 22.82 4.15 5 -8 -1 84.52 5.86 5 -8 0 171.25 8.06 5 -8 1 126.81 7.17 5 -8 2 -0.99 2.16 5 -8 3 109.35 6.69 5 -8 4 -0.54 2.40 5 -8 5 162.95 7.69 5 -8 6 5.29 2.70 5 -8 7 65.73 5.31 5 -8 8 21.71 3.32 5 -8 9 68.65 5.70 5 -8 10 41.83 4.56 5 -8 11 4.98 2.66 5 -8 12 34.65 4.79 5 -8 13 47.23 5.97 5 -8 14 52.27 5.65 5 -8 15 10.12 4.08 5 -8 16 14.42 4.56 5 -8 17 45.44 6.46 5 -8 18 4.36 4.46 5 -8 19 7.19 4.93 5 -8 20 7.25 5.30 5 -8 21 88.00 9.06 5 -8 22 22.96 6.86 5 -8 23 6.06 4.67 -5 7 13 24.07 4.50 -5 7 12 111.97 7.71 -5 7 11 -3.00 3.30 -5 7 10 33.29 5.43 -5 7 9 145.62 9.63 -5 7 8 376.47 15.89 -5 7 7 251.15 14.95 -5 7 6 13.94 4.48 5 -7 -5 0.39 2.63 5 -7 -4 7.93 2.85 5 -7 -3 41.28 4.45 5 -7 -2 -2.47 1.88 5 -7 -1 77.65 5.28 5 -7 0 24.72 3.11 5 -7 1 5.46 2.23 5 -7 2 7.10 2.50 5 -7 3 11.47 2.39 5 -7 5 1.50 1.82 5 -7 6 51.72 4.36 5 -7 7 13.49 2.62 5 -7 8 37.63 3.96 5 -7 9 66.42 5.42 5 -7 10 0.32 2.39 5 -7 11 26.31 4.10 5 -7 12 42.85 5.23 5 -7 13 753.40 18.90 5 -7 14 24.60 5.00 5 -7 15 174.27 10.10 5 -7 16 1.18 2.71 5 -7 17 10.58 3.90 5 -7 18 33.94 6.22 5 -7 19 0.04 4.25 5 -7 20 17.66 5.71 5 -7 21 0.09 3.54 5 -7 22 6.27 5.93 5 -7 23 0.68 5.27 5 -7 24 1.25 5.74 -5 6 13 53.93 5.32 -5 6 12 27.63 4.21 -5 6 11 142.40 7.96 -5 6 10 13.25 4.41 -5 6 9 191.65 10.60 -5 6 8 13.14 4.34 -5 6 7 183.51 11.12 -5 6 6 25.83 5.12 5 -6 -5 0.16 2.02 5 -6 -4 227.47 9.15 5 -6 -3 11.05 2.36 5 -6 -2 286.25 9.42 5 -6 -1 -0.22 1.20 5 -6 0 76.72 4.72 5 -6 1 38.95 3.56 5 -6 2 62.71 4.22 5 -6 3 98.62 5.48 5 -6 4 14.67 2.58 5 -6 5 488.14 12.05 5 -6 6 4.37 2.63 5 -6 7 339.66 10.38 5 -6 8 1.36 1.60 5 -6 9 140.35 7.31 5 -6 10 118.76 7.03 5 -6 11 28.94 4.13 5 -6 12 93.72 6.73 5 -6 13 7.60 3.03 5 -6 14 409.49 14.35 5 -6 15 30.85 5.34 5 -6 16 -3.37 3.68 5 -6 17 -3.98 2.45 5 -6 18 29.79 5.26 5 -6 19 -1.90 4.44 5 -6 20 5.12 5.04 5 -6 21 6.26 3.92 5 -6 22 -2.55 5.42 5 -6 23 18.62 6.79 5 -6 24 0.13 4.30 -5 5 12 48.60 4.94 -5 5 11 74.47 5.65 -5 5 10 109.27 6.62 -5 5 9 17.21 3.50 -5 5 8 46.71 4.93 -5 5 7 5.19 2.77 -5 5 6 3.46 3.19 5 -5 -4 6.75 2.12 5 -5 -3 35.44 3.60 5 -5 -2 2.55 1.67 5 -5 -1 98.15 4.98 5 -5 0 1.72 1.21 5 -5 1 105.82 5.15 5 -5 2 45.55 3.51 5 -5 3 23.82 2.78 5 -5 4 315.27 8.85 5 -5 5 215.54 7.48 5 -5 6 2243.40 26.94 5 -5 7 7.64 2.22 5 -5 8 365.78 10.76 5 -5 9 0.15 1.60 5 -5 10 63.91 4.99 5 -5 11 52.98 4.69 5 -5 12 -0.08 2.52 5 -5 13 30.11 3.93 5 -5 14 5.83 2.72 5 -5 15 18.23 3.86 5 -5 16 -0.53 2.54 5 -5 17 -1.19 3.51 5 -5 18 -0.18 4.20 5 -5 19 24.48 5.05 5 -5 20 33.86 6.56 5 -5 21 0.94 3.62 5 -5 22 15.69 5.95 5 -5 23 6.48 6.00 5 -5 24 12.24 6.54 5 -5 25 1.13 6.22 -5 4 12 21.59 3.22 -5 4 11 102.39 5.66 -5 4 10 14.35 2.81 -5 4 9 78.57 5.15 -5 4 8 2.10 2.24 -5 4 7 127.03 6.55 -5 4 6 35.41 4.74 -5 4 5 43.38 4.73 5 -4 -4 -0.46 1.82 5 -4 -3 131.21 5.84 5 -4 -2 860.67 13.92 5 -4 -1 63.70 3.82 5 -4 0 464.34 9.77 5 -4 1 1.06 1.41 5 -4 2 245.79 7.08 5 -4 3 60.41 3.57 5 -4 4 -0.25 1.34 5 -4 5 167.54 6.38 5 -4 6 89.56 4.76 5 -4 7 702.09 13.86 5 -4 8 4.50 1.82 5 -4 9 -0.46 1.48 5 -4 10 -3.61 1.43 5 -4 11 74.15 5.89 5 -4 12 0.10 2.16 5 -4 13 14.09 3.24 5 -4 14 11.81 3.17 5 -4 15 15.59 3.74 5 -4 16 38.27 5.25 5 -4 17 2.66 3.95 5 -4 18 126.58 9.21 5 -4 19 180.57 11.84 5 -4 20 184.50 12.31 5 -4 21 95.67 8.95 5 -4 22 -1.82 5.06 5 -4 23 28.68 7.05 5 -4 24 1.24 5.66 5 -4 25 8.67 6.30 -5 3 11 35.30 3.61 -5 3 10 214.47 6.87 -5 3 9 70.77 4.15 -5 3 8 174.21 6.01 -5 3 7 9.82 2.41 -5 3 6 149.85 6.32 -5 3 5 6.27 2.80 5 -3 -4 17.99 2.24 5 -3 -3 336.23 8.00 5 -3 -2 842.53 12.56 5 -3 -1 2386.96 23.05 5 -3 0 53.05 3.07 5 -3 1 228.07 6.14 5 -3 2 2.01 1.25 5 -3 3 187.13 5.86 5 -3 4 31.80 2.74 5 -3 5 2.26 1.16 5 -3 6 62.49 3.96 5 -3 7 8.57 1.91 5 -3 8 6.39 1.91 5 -3 9 2.41 1.70 5 -3 10 56.39 4.99 5 -3 11 23.02 4.25 5 -3 12 334.62 11.88 5 -3 13 87.31 6.95 5 -3 14 6.57 3.49 5 -3 15 52.72 5.61 5 -3 16 -0.30 2.63 5 -3 17 10.01 4.65 5 -3 18 -0.75 4.16 5 -3 19 377.04 16.02 5 -3 20 114.32 9.58 5 -3 21 167.22 12.20 5 -3 22 15.00 6.07 5 -3 23 -1.03 5.35 5 -3 24 44.97 8.62 5 -3 25 -5.10 6.02 5 -3 26 1.37 6.52 -5 2 11 18.70 2.57 -5 2 10 739.31 11.62 -5 2 9 1458.42 16.10 -5 2 8 339.32 6.96 -5 2 7 187.74 5.07 -5 2 6 5.75 1.69 -5 2 5 479.24 9.41 5 -2 -3 61.40 2.97 5 -2 -2 309.07 6.25 5 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19 3.75 3.54 5 -1 20 -2.27 3.25 5 -1 21 4.36 4.24 5 -1 22 7.24 4.57 5 -1 23 -0.97 5.40 5 -1 24 -3.68 5.59 5 -1 25 15.20 5.94 5 -1 26 46.30 9.01 5 -1 27 10.28 8.02 -5 0 10 113.63 3.58 5 0 -1 3.81 0.71 5 0 0 113.26 3.24 5 0 1 78.82 3.31 5 0 2 7.04 1.46 5 0 3 4.25 1.56 5 0 4 1671.36 21.02 5 0 5 99.21 5.34 5 0 6 1569.33 22.45 5 0 7 67.36 5.01 5 0 8 68.49 5.06 5 0 9 289.76 10.69 5 0 10 104.67 7.04 5 0 11 10.13 3.86 5 0 12 -0.57 2.82 5 0 13 76.74 6.95 5 0 14 14.08 4.89 5 0 15 5.90 4.26 5 0 16 8.07 4.46 5 0 17 -2.91 4.08 5 0 18 0.20 3.51 5 0 19 4.20 3.80 5 0 20 14.87 5.70 5 0 21 3.19 5.30 5 0 22 45.42 7.10 5 0 23 7.73 5.90 5 0 24 3.26 6.07 5 0 25 47.76 8.35 5 0 26 25.51 8.27 5 0 27 45.26 8.29 -5 -1 8 -1.84 0.75 5 1 -1 97.07 3.29 5 1 0 14.47 1.72 5 1 1 19.54 2.13 5 1 2 2.57 1.50 5 1 3 90.27 4.87 5 1 4 176.14 7.22 5 1 5 1747.14 24.82 5 1 6 1.23 1.83 5 1 7 395.39 12.32 5 1 8 16.89 3.80 5 1 9 129.93 7.83 5 1 10 185.14 9.54 5 1 11 13.15 4.35 5 1 12 25.17 4.54 5 1 13 5.46 3.38 5 1 14 38.88 6.20 5 1 15 32.81 5.51 5 1 16 0.23 3.25 5 1 17 7.81 5.66 5 1 18 65.27 7.87 5 1 19 125.35 10.77 5 1 20 25.72 6.54 5 1 21 13.13 5.62 5 1 22 11.80 6.04 5 1 23 44.78 8.29 5 1 24 3.43 6.51 5 1 25 28.72 8.32 5 1 26 10.51 7.32 5 1 27 19.36 8.39 -5 -2 9 1.71 1.15 -5 -2 8 40.31 1.91 -5 -2 7 81.82 2.48 -5 -2 6 213.51 4.23 5 2 -4 102.48 4.01 5 2 -3 1589.87 17.93 5 2 -2 35.45 2.68 5 2 -1 630.54 10.30 5 2 0 8.33 1.92 5 2 1 343.71 8.72 5 2 2 236.09 7.80 5 2 3 191.72 7.78 5 2 4 2.70 1.77 5 2 5 3.07 1.92 5 2 6 4.89 2.15 5 2 7 0.23 2.08 5 2 8 233.72 10.37 5 2 9 30.92 4.42 5 2 10 37.23 5.13 5 2 11 -2.98 3.95 5 2 12 5.98 3.63 5 2 13 86.58 8.03 5 2 14 37.83 6.77 5 2 15 180.85 11.47 5 2 16 -1.95 3.28 5 2 17 17.67 6.22 5 2 18 87.88 8.99 5 2 19 81.56 9.67 5 2 20 75.95 10.08 5 2 21 0.31 4.05 5 2 22 36.31 7.83 5 2 23 1.19 4.30 5 2 24 38.90 8.17 5 2 25 3.63 6.78 5 2 26 7.01 5.78 5 2 27 0.70 7.57 -5 -3 9 480.51 7.78 -5 -3 8 7.05 1.29 -5 -3 7 68.23 2.72 -5 -3 6 35.97 2.43 -5 -3 5 19.66 1.98 5 3 -4 175.02 6.14 5 3 -3 104.66 5.25 5 3 -2 1341.45 19.00 5 3 -1 -1.82 1.51 5 3 0 54.08 3.87 5 3 1 7.05 2.19 5 3 2 121.29 5.83 5 3 3 19.01 2.81 5 3 4 0.18 2.24 5 3 5 3.64 2.17 5 3 6 1.49 2.23 5 3 7 173.25 9.40 5 3 8 2.40 2.50 5 3 9 18.32 4.32 5 3 10 42.75 5.50 5 3 11 322.81 13.97 5 3 12 184.67 11.04 5 3 13 63.35 7.38 5 3 14 44.26 6.54 5 3 15 12.23 4.76 5 3 16 31.73 7.10 5 3 17 5.31 6.08 5 3 18 36.68 7.97 5 3 19 5.47 5.02 5 3 20 15.20 5.50 5 3 21 -2.51 5.61 5 3 22 3.05 6.51 5 3 23 42.46 8.11 5 3 24 1.68 4.63 5 3 25 28.94 8.69 5 3 26 19.91 7.97 5 3 27 19.46 7.92 -5 -4 9 89.92 3.71 -5 -4 8 151.58 4.66 -5 -4 7 6.88 1.49 -5 -4 6 410.53 8.34 -5 -4 5 168.07 5.68 5 4 -3 49.92 4.36 5 4 -2 10.83 2.78 5 4 -1 68.53 4.76 5 4 0 5.16 2.21 5 4 1 36.61 4.01 5 4 2 0.63 2.18 5 4 3 7.65 2.90 5 4 4 3.06 2.67 5 4 5 6.95 2.61 5 4 6 91.53 6.71 5 4 7 19.90 3.71 5 4 8 199.71 10.18 5 4 9 7.34 4.09 5 4 10 66.04 6.83 5 4 11 33.94 5.28 5 4 12 156.80 10.00 5 4 13 44.14 7.22 5 4 14 2.72 5.53 5 4 15 37.27 7.36 5 4 16 7.40 4.74 5 4 17 110.41 10.28 5 4 18 1.63 4.62 5 4 19 54.79 8.43 5 4 20 9.05 6.91 5 4 21 18.01 7.68 5 4 22 12.89 7.01 5 4 23 10.76 7.15 5 4 24 7.77 7.51 5 4 25 -0.12 5.79 5 4 26 13.58 6.07 5 4 27 10.06 7.87 -5 -5 9 188.80 5.85 -5 -5 7 3.23 1.92 -5 -5 6 1.05 1.76 -5 -5 5 157.19 6.07 -5 -5 4 13.11 2.63 5 5 -3 81.86 5.44 5 5 -2 64.05 5.56 5 5 -1 79.39 6.13 5 5 0 64.62 5.35 5 5 1 2.95 2.52 5 5 2 14.73 3.44 5 5 3 1.14 2.92 5 5 4 211.01 9.74 5 5 5 19.98 3.58 5 5 6 37.92 5.00 5 5 7 75.49 6.53 5 5 8 2.90 3.52 5 5 9 17.02 4.60 5 5 10 -0.78 2.82 5 5 11 12.31 4.28 5 5 12 -4.32 4.93 5 5 13 6.89 4.22 5 5 14 10.53 5.68 5 5 15 6.29 4.60 5 5 16 42.92 7.14 5 5 17 7.02 6.49 5 5 18 108.87 11.72 5 5 19 41.67 9.16 5 5 20 59.95 9.90 5 5 21 36.89 9.39 5 5 22 -1.03 6.72 5 5 23 2.02 7.01 5 5 24 7.42 7.83 5 5 25 6.71 7.79 5 5 26 -1.90 8.19 5 5 27 12.10 8.94 -5 -6 8 47.40 3.71 -5 -6 7 0.13 1.73 -5 -6 6 119.36 5.62 -5 -6 5 4.24 2.26 -5 -6 4 -0.13 2.62 5 6 -3 12.71 2.69 5 6 -2 14.81 3.45 5 6 -1 116.82 7.89 5 6 0 42.84 4.88 5 6 1 88.19 6.45 5 6 2 5.10 2.50 5 6 3 12.02 3.64 5 6 4 2.34 2.41 5 6 5 2.61 2.30 5 6 6 2.03 2.66 5 6 7 97.82 7.71 5 6 8 115.10 8.25 5 6 9 53.83 6.19 5 6 10 149.62 9.58 5 6 11 -0.87 3.16 5 6 12 220.12 12.84 5 6 13 34.37 7.26 5 6 14 156.13 11.70 5 6 15 45.88 7.93 5 6 16 23.09 5.68 5 6 17 17.29 5.88 5 6 18 5.54 6.86 5 6 19 18.47 7.76 5 6 20 9.36 7.34 5 6 21 4.37 5.24 5 6 22 11.92 6.19 5 6 23 -1.98 5.40 5 6 24 13.27 8.43 5 6 25 2.54 7.90 5 6 26 8.06 8.62 5 6 27 -2.52 8.05 -5 -7 8 36.95 3.49 -5 -7 7 90.52 5.12 -5 -7 6 10.45 2.42 -5 -7 5 51.90 4.18 -5 -7 4 4.76 2.74 5 7 -3 182.87 8.46 5 7 -2 6.70 3.10 5 7 -1 7.85 3.70 5 7 0 5.44 3.36 5 7 1 5.56 3.33 5 7 2 13.17 3.24 5 7 3 3.41 2.48 5 7 4 39.44 5.43 5 7 5 10.66 3.26 5 7 6 70.64 6.47 5 7 7 58.27 6.80 5 7 8 31.88 4.97 5 7 9 115.81 8.35 5 7 10 4.21 4.39 5 7 11 144.91 10.02 5 7 12 9.41 4.28 5 7 13 61.77 7.40 5 7 14 11.24 6.06 5 7 15 20.63 5.93 5 7 16 -0.59 6.12 5 7 17 17.38 5.47 5 7 18 2.75 5.92 5 7 19 18.89 6.40 5 7 20 10.09 6.09 5 7 21 1.76 7.24 5 7 22 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2.75 5 9 7 -4.92 4.31 5 9 8 0.24 4.59 5 9 9 0.06 3.32 5 9 10 -0.41 3.15 5 9 11 8.52 3.97 5 9 12 1.86 3.43 5 9 13 62.57 8.66 5 9 14 -3.95 5.42 5 9 15 66.95 8.42 5 9 16 5.99 6.20 5 9 17 10.93 5.41 5 9 18 72.38 10.68 5 9 19 7.36 5.84 5 9 20 24.61 8.14 5 9 21 -1.32 5.11 5 9 22 3.16 7.93 5 9 23 7.43 8.66 5 9 24 18.20 9.03 5 9 25 3.62 6.80 5 9 26 -0.91 8.93 -5 -10 8 2.71 2.74 -5 -10 7 38.31 4.57 -5 -10 6 12.05 3.16 -5 -10 5 25.81 4.56 -5 -10 4 45.39 5.28 5 10 -3 8.63 3.43 5 10 -2 130.90 8.54 5 10 -1 5.59 4.19 5 10 0 213.95 12.90 5 10 1 36.44 5.42 5 10 2 87.46 8.03 5 10 3 53.54 7.03 5 10 4 8.28 3.60 5 10 5 -3.04 4.44 5 10 6 -2.94 4.23 5 10 7 89.77 8.27 5 10 8 9.91 4.45 5 10 9 5.26 3.64 5 10 10 16.55 4.95 5 10 11 30.85 5.72 5 10 12 29.87 5.79 5 10 13 -1.02 5.30 5 10 14 -0.67 6.04 5 10 15 0.31 4.29 5 10 16 19.83 7.01 5 10 17 0.12 4.36 5 10 18 45.44 8.13 5 10 19 4.13 7.35 5 10 20 -0.96 7.63 5 10 21 5.83 5.72 5 10 22 -11.11 7.10 5 10 23 -2.55 8.03 5 10 24 -3.74 6.42 5 10 25 11.06 9.77 5 10 26 5.20 10.32 -5 -11 7 -4.73 2.61 -5 -11 6 5.07 2.91 -5 -11 5 4.01 3.54 5 11 -3 1.78 3.31 5 11 -2 -2.42 3.14 5 11 -1 10.01 4.57 5 11 0 -0.51 4.08 5 11 1 12.77 4.87 5 11 2 -1.06 3.85 5 11 3 16.43 5.12 5 11 4 -2.30 4.00 5 11 5 -0.24 4.64 5 11 6 106.97 9.89 5 11 7 1.08 3.77 5 11 8 47.28 6.80 5 11 9 0.65 5.39 5 11 10 57.43 8.29 5 11 11 61.66 8.76 5 11 12 20.71 6.63 5 11 13 24.15 5.85 5 11 14 -6.34 5.00 5 11 15 -4.03 5.77 5 11 16 0.30 4.38 5 11 17 5.45 6.13 5 11 18 1.45 4.84 5 11 19 12.37 7.48 5 11 20 19.01 7.29 5 11 21 87.39 13.31 5 11 22 22.61 7.46 5 11 23 0.41 7.64 5 11 24 9.13 9.13 5 11 25 -0.49 6.98 -5 -12 7 38.87 4.82 -5 -12 6 3.32 3.97 -5 -12 5 34.20 4.78 5 12 -2 0.43 4.23 5 12 -1 -1.45 4.67 5 12 0 58.06 8.27 5 12 1 15.68 4.51 5 12 2 10.32 3.99 5 12 3 19.52 5.52 5 12 4 140.12 10.92 5 12 5 106.93 9.69 5 12 6 26.92 5.71 5 12 7 2.18 3.94 5 12 8 6.98 4.27 5 12 9 26.72 5.89 5 12 10 3.00 5.75 5 12 11 63.48 8.62 5 12 12 -2.06 3.99 5 12 13 -2.66 3.62 5 12 14 3.54 5.78 5 12 15 0.82 4.28 5 12 16 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127.75 7.46 6 -9 2 1.02 2.02 6 -9 3 76.45 5.66 6 -9 4 14.68 3.06 6 -9 5 35.93 4.49 6 -9 6 6.19 3.02 6 -9 7 171.00 8.90 6 -9 8 84.32 6.40 6 -9 9 40.80 5.22 6 -9 10 -0.10 3.04 6 -9 11 -0.74 3.07 6 -9 12 7.71 3.90 6 -9 13 3.33 2.72 6 -9 14 4.26 2.97 6 -9 15 3.21 2.99 6 -9 16 32.77 5.91 6 -9 17 6.09 4.70 6 -9 18 -7.03 4.21 6 -9 19 27.39 6.62 6 -9 20 11.44 5.97 6 -9 21 111.01 10.44 6 -9 22 16.85 6.93 -6 8 11 22.30 4.82 -6 8 10 8.39 4.25 -6 8 9 21.32 5.67 -6 8 8 202.45 14.42 -6 8 7 89.43 10.05 -6 8 6 2.90 4.68 6 -8 -5 11.65 3.36 6 -8 -4 26.71 3.92 6 -8 -3 -6.81 2.49 6 -8 -2 -2.82 2.79 6 -8 -1 1135.19 21.98 6 -8 0 205.09 9.36 6 -8 1 807.96 17.33 6 -8 2 69.21 5.24 6 -8 3 4.75 2.10 6 -8 4 73.59 5.31 6 -8 5 12.46 3.14 6 -8 6 9.77 3.05 6 -8 7 6.73 2.83 6 -8 8 30.33 3.90 6 -8 9 1.06 2.74 6 -8 10 8.36 2.70 6 -8 11 8.85 2.97 6 -8 12 45.50 5.67 6 -8 13 201.95 10.61 6 -8 14 4.34 2.96 6 -8 15 17.23 3.94 6 -8 16 2.45 3.59 6 -8 17 35.76 6.09 6 -8 18 2.63 4.38 6 -8 19 11.12 5.06 6 -8 20 57.59 7.39 6 -8 21 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862.09 16.90 6 -6 7 40.59 4.30 6 -6 8 80.89 5.50 6 -6 9 0.39 2.38 6 -6 10 78.06 6.07 6 -6 11 8.43 3.19 6 -6 12 63.24 5.70 6 -6 13 253.36 11.52 6 -6 14 156.09 9.69 6 -6 15 237.55 11.77 6 -6 16 3.40 3.20 6 -6 17 5.28 3.28 6 -6 18 -0.53 4.36 6 -6 19 19.61 5.96 6 -6 20 3.46 3.93 6 -6 22 5.85 4.56 6 -6 23 -9.77 5.51 6 -6 24 0.80 6.16 -6 5 10 3.77 2.91 -6 5 9 -1.29 2.78 -6 5 8 74.06 5.87 -6 5 7 324.55 12.81 -6 5 6 10.35 4.20 6 -5 -5 7.97 2.93 6 -5 -4 43.50 3.89 6 -5 -3 16.69 2.52 6 -5 -2 0.57 1.46 6 -5 -1 1.01 1.53 6 -5 0 8.15 1.79 6 -5 1 4.22 1.79 6 -5 2 205.45 7.17 6 -5 3 32.75 3.22 6 -5 4 69.63 4.39 6 -5 5 284.58 8.97 6 -5 6 570.55 13.19 6 -5 7 861.83 16.87 6 -5 8 28.64 3.74 6 -5 9 13.46 2.64 6 -5 10 0.36 2.20 6 -5 11 203.99 9.12 6 -5 12 0.82 1.99 6 -5 13 9.08 3.61 6 -5 14 38.54 5.53 6 -5 15 -0.68 3.62 6 -5 16 -2.62 3.58 6 -5 17 1.10 2.75 6 -5 18 2.80 3.13 6 -5 19 -2.40 4.23 6 -5 20 2.58 3.50 6 -5 21 -1.98 4.70 6 -5 22 15.24 5.12 6 -5 23 22.35 5.92 6 -5 24 -4.41 5.72 6 -5 25 -1.75 6.37 -6 4 9 10.92 2.85 -6 4 8 18.40 3.03 -6 4 7 -0.28 2.38 -6 4 6 8.26 3.53 6 -4 -4 8.00 1.95 6 -4 -4 8.89 1.99 6 -4 -3 102.68 5.03 6 -4 -2 568.75 11.42 6 -4 -1 544.82 11.03 6 -4 0 70.90 4.02 6 -4 1 3.39 1.51 6 -4 2 3.90 1.26 6 -4 3 123.08 5.32 6 -4 4 7.08 1.98 6 -4 5 325.82 9.26 6 -4 6 407.52 10.49 6 -4 7 581.40 13.01 6 -4 8 309.49 10.19 6 -4 9 7.69 2.69 6 -4 10 40.86 4.47 6 -4 11 1.67 2.09 6 -4 12 18.35 3.44 6 -4 13 5.50 3.41 6 -4 14 9.71 3.88 6 -4 15 18.26 4.75 6 -4 16 0.45 2.70 6 -4 17 4.23 3.21 6 -4 18 3.96 4.57 6 -4 19 81.67 8.18 6 -4 20 8.02 5.49 6 -4 21 41.75 7.64 6 -4 22 2.00 5.55 6 -4 23 2.07 4.24 6 -4 24 19.49 5.74 6 -4 25 -1.90 4.03 -6 3 9 37.82 3.05 -6 3 8 65.68 3.85 -6 3 7 8.52 2.09 -6 3 6 3.52 2.39 -6 3 5 393.26 11.38 6 -3 -4 2.71 1.48 6 -3 -3 103.40 4.52 6 -3 -2 196.06 5.90 6 -3 -1 865.57 12.87 6 -3 0 378.45 8.27 6 -3 1 51.01 3.14 6 -3 2 44.78 3.07 6 -3 3 17.64 1.98 6 -3 4 254.71 7.46 6 -3 5 9.85 2.15 6 -3 6 37.90 3.55 6 -3 7 0.59 1.52 6 -3 8 16.78 2.73 6 -3 9 27.27 3.40 6 -3 10 18.32 3.49 6 -3 11 7.33 2.59 6 -3 12 5.80 2.61 6 -3 13 0.88 2.27 6 -3 14 -0.93 3.18 6 -3 15 74.10 7.33 6 -3 16 38.21 5.42 6 -3 17 15.15 4.96 6 -3 18 24.98 4.99 6 -3 19 6.44 4.96 6 -3 20 162.80 11.90 6 -3 21 9.51 5.69 6 -3 22 10.37 4.74 6 -3 23 0.45 4.25 6 -3 24 21.79 6.04 6 -3 25 1.81 4.90 6 -3 26 -0.95 6.80 -6 2 7 127.60 3.82 -6 2 6 1.09 1.51 -6 2 5 49.90 3.46 6 -2 -4 13.59 1.68 6 -2 -3 4.31 1.29 6 -2 -2 556.08 8.86 6 -2 -1 174.95 4.91 6 -2 0 367.22 7.38 6 -2 1 79.32 3.44 6 -2 2 2.89 0.95 6 -2 3 26.24 2.45 6 -2 4 0.14 1.30 6 -2 5 57.57 3.99 6 -2 6 1.49 1.39 6 -2 7 27.96 3.14 6 -2 8 64.69 4.66 6 -2 9 9.74 2.72 6 -2 10 1.93 1.85 6 -2 11 34.88 4.19 6 -2 12 325.20 12.28 6 -2 13 7.66 3.63 6 -2 14 61.38 5.99 6 -2 15 23.34 4.87 6 -2 16 11.53 3.91 6 -2 17 25.70 4.96 6 -2 18 -3.96 4.00 6 -2 19 3.41 4.97 6 -2 20 6.66 4.24 6 -2 21 9.88 4.70 6 -2 22 4.53 4.40 6 -2 23 2.65 4.45 6 -2 24 14.56 6.91 6 -2 25 2.12 6.59 6 -2 26 27.35 8.27 6 -1 -3 77.17 2.60 6 -1 -2 5.13 0.99 6 -1 -1 1.77 0.93 6 -1 0 7.47 1.14 6 -1 1 33.04 2.26 6 -1 2 28.56 2.24 6 -1 3 7.05 1.57 6 -1 4 18.41 2.29 6 -1 5 0.28 1.12 6 -1 6 13.25 2.50 6 -1 7 18.87 2.72 6 -1 8 232.56 8.88 6 -1 9 60.31 5.04 6 -1 10 31.89 4.18 6 -1 11 50.68 4.97 6 -1 12 13.53 4.03 6 -1 13 181.02 9.72 6 -1 14 8.76 4.06 6 -1 15 10.96 3.62 6 -1 16 4.27 3.58 6 -1 17 83.84 7.85 6 -1 18 47.12 6.44 6 -1 19 25.64 5.36 6 -1 20 46.28 6.82 6 -1 21 4.43 4.23 6 -1 22 30.23 6.67 6 -1 23 -0.37 5.87 6 -1 24 7.79 6.59 6 -1 25 0.55 6.71 6 -1 26 3.41 5.13 6 0 -2 5.97 0.74 6 0 -1 4.88 0.89 6 0 0 168.31 4.35 6 0 1 5.69 1.21 6 0 2 52.88 3.33 6 0 3 2.20 1.46 6 0 4 47.55 3.75 6 0 5 226.87 8.16 6 0 6 28.21 3.37 6 0 7 222.12 9.01 6 0 8 4.09 2.76 6 0 9 21.26 3.64 6 0 10 40.68 5.22 6 0 11 0.68 2.49 6 0 12 -2.90 2.47 6 0 13 9.63 3.68 6 0 14 3.90 3.13 6 0 15 18.86 4.31 6 0 16 59.78 6.63 6 0 17 32.81 5.44 6 0 18 39.43 6.01 6 0 19 48.47 7.46 6 0 20 5.23 5.18 6 0 21 50.93 8.38 6 0 22 2.12 4.22 6 0 23 1.82 5.90 6 0 24 1.76 6.25 6 0 25 7.78 5.54 6 0 26 11.88 7.59 6 0 27 14.59 8.16 6 1 -2 7.06 0.95 6 1 -1 30.95 2.08 6 1 0 17.05 2.04 6 1 1 165.12 5.76 6 1 2 25.19 2.94 6 1 3 45.59 3.65 6 1 4 8.60 2.53 6 1 5 13.54 2.65 6 1 6 115.98 6.86 6 1 7 0.96 3.05 6 1 8 57.05 5.82 6 1 9 9.70 3.75 6 1 10 366.08 13.97 6 1 11 89.75 7.29 6 1 12 226.13 11.58 6 1 13 142.25 9.58 6 1 14 59.85 7.38 6 1 15 65.14 7.80 6 1 16 5.35 4.15 6 1 17 2.11 4.04 6 1 18 7.07 5.44 6 1 19 14.45 6.18 6 1 20 6.86 4.32 6 1 21 6.19 5.73 6 1 22 7.21 4.65 6 1 23 2.90 6.02 6 1 24 9.15 7.19 6 1 25 3.24 5.20 6 1 26 -0.15 6.73 6 1 27 3.94 5.75 6 2 -3 133.08 3.92 6 2 -2 293.94 6.56 6 2 -1 12.92 1.96 6 2 0 18.76 2.60 6 2 1 -0.90 1.79 6 2 2 5.13 2.04 6 2 3 18.12 2.87 6 2 4 5.81 2.49 6 2 5 25.23 3.57 6 2 6 1.31 2.99 6 2 7 52.28 5.30 6 2 8 12.73 3.94 6 2 9 119.82 8.40 6 2 10 24.54 4.47 6 2 11 70.77 6.98 6 2 12 113.91 9.07 6 2 13 11.18 4.60 6 2 14 125.65 9.84 6 2 15 10.33 5.59 6 2 16 -2.50 3.28 6 2 17 -0.61 3.71 6 2 18 0.04 3.81 6 2 19 6.86 6.17 6 2 20 2.27 6.41 6 2 21 5.86 6.15 6 2 22 13.36 6.85 6 2 23 14.85 6.87 6 2 24 7.63 5.26 6 2 25 11.37 7.28 6 2 26 5.80 5.99 6 2 27 25.09 8.95 6 3 -6 67.92 3.80 6 3 -5 1.68 2.24 6 3 -4 21.06 3.11 6 3 -3 27.05 2.92 6 3 -2 3.29 2.17 6 3 -1 32.50 3.19 6 3 0 39.94 3.60 6 3 1 330.58 10.15 6 3 2 0.61 2.01 6 3 3 499.30 13.29 6 3 4 130.57 7.25 6 3 5 554.69 15.76 6 3 6 334.12 12.50 6 3 7 179.83 9.19 6 3 8 283.65 11.75 6 3 9 16.48 4.00 6 3 10 117.86 8.78 6 3 11 1.37 3.39 6 3 12 98.49 8.88 6 3 13 10.58 5.85 6 3 14 9.28 5.75 6 3 15 60.59 7.91 6 3 16 1.72 4.35 6 3 17 3.22 5.94 6 3 18 7.55 4.68 6 3 19 41.10 7.23 6 3 20 10.02 6.79 6 3 21 18.73 6.22 6 3 22 6.77 5.79 6 3 23 7.99 7.55 6 3 24 5.24 5.37 6 3 25 16.53 8.13 6 3 26 36.54 9.12 6 3 27 3.51 7.22 6 4 -5 24.08 3.41 6 4 -4 10.72 3.03 6 4 -3 64.65 4.81 6 4 -2 0.90 2.38 6 4 -1 66.07 5.06 6 4 0 85.51 6.03 6 4 1 3.23 2.60 6 4 2 211.28 8.93 6 4 3 9.53 3.02 6 4 4 73.78 5.69 6 4 5 1.10 2.18 6 4 6 7.78 2.80 6 4 7 -0.11 3.31 6 4 8 1.59 2.88 6 4 9 2.11 4.20 6 4 10 -0.91 2.84 6 4 11 -0.94 2.92 6 4 12 13.46 4.73 6 4 13 10.02 4.68 6 4 14 9.21 4.75 6 4 15 42.75 7.35 6 4 16 37.81 7.11 6 4 17 6.72 4.96 6 4 18 16.83 6.02 6 4 19 6.80 6.82 6 4 20 91.60 11.26 6 4 21 3.99 7.03 6 4 22 2.87 5.21 6 4 23 -0.79 5.21 6 4 24 -1.81 7.87 6 4 25 50.48 10.58 6 4 26 2.72 5.52 6 4 27 6.30 8.22 -6 -5 6 173.87 6.78 -6 -5 6 185.61 7.52 6 5 -5 1.61 2.32 6 5 -4 198.68 9.13 6 5 -3 44.91 4.59 6 5 -2 313.86 11.17 6 5 -1 237.72 9.83 6 5 0 155.40 7.99 6 5 1 96.41 6.72 6 5 2 19.42 3.79 6 5 3 130.93 8.15 6 5 4 1.84 3.09 6 5 5 151.39 8.40 6 5 6 8.59 3.06 6 5 7 12.46 3.33 6 5 8 74.76 6.88 6 5 9 17.02 5.03 6 5 10 3.34 3.57 6 5 11 19.65 6.14 6 5 12 205.05 12.26 6 5 13 4.68 4.08 6 5 14 29.78 6.82 6 5 15 2.74 5.96 6 5 16 -5.78 6.09 6 5 17 8.39 6.72 6 5 18 30.95 8.57 6 5 19 58.56 9.89 6 5 20 -0.89 6.83 6 5 21 7.13 7.70 6 5 22 2.69 7.58 6 5 23 -6.22 7.15 6 5 24 5.09 6.30 6 5 25 9.35 6.50 6 5 26 1.88 6.68 6 5 27 -1.68 8.66 -6 -6 6 114.57 6.28 6 6 -5 91.63 5.74 6 6 -4 18.75 3.89 6 6 -3 66.66 6.21 6 6 -2 4.92 2.74 6 6 -1 4.37 2.91 6 6 0 23.40 4.09 6 6 1 19.54 3.89 6 6 2 14.98 3.83 6 6 3 0.33 3.21 6 6 4 52.50 5.88 6 6 5 6.18 2.89 6 6 6 5.45 2.87 6 6 7 3.96 3.88 6 6 8 140.45 9.98 6 6 9 14.02 4.02 6 6 10 15.59 4.50 6 6 11 104.66 9.44 6 6 12 1.15 3.95 6 6 13 222.75 14.48 6 6 14 17.10 5.34 6 6 15 13.98 5.19 6 6 16 16.76 6.99 6 6 17 15.55 7.38 6 6 18 54.02 9.74 6 6 20 4.81 5.81 6 6 21 8.10 5.96 6 6 22 165.79 15.08 6 6 23 15.14 7.04 6 6 24 12.42 6.50 6 6 25 16.65 9.00 6 6 26 4.62 8.60 6 6 27 6.97 9.23 -6 -7 6 28.94 3.76 6 7 -4 118.00 7.13 6 7 -3 -1.05 2.84 6 7 -2 46.54 5.51 6 7 -1 -0.07 2.92 6 7 0 103.77 7.88 6 7 1 45.45 5.75 6 7 2 4.84 2.71 6 7 3 28.13 5.02 6 7 4 58.64 6.85 6 7 5 257.57 11.88 6 7 6 -0.31 4.05 6 7 7 60.94 7.04 6 7 8 2.30 4.15 6 7 9 41.70 6.54 6 7 10 2.04 4.75 6 7 11 69.12 7.63 6 7 12 38.33 6.98 6 7 13 10.77 4.70 6 7 14 5.41 6.09 6 7 15 34.75 7.32 6 7 16 -5.19 5.92 6 7 17 -3.73 5.92 6 7 18 35.58 7.53 6 7 19 18.85 6.39 6 7 20 3.11 5.51 6 7 21 217.01 17.66 6 7 22 29.45 10.22 6 7 23 172.79 16.68 6 7 24 24.95 10.47 6 7 25 30.43 10.16 6 7 26 11.24 9.51 6 7 27 15.38 10.09 -6 -8 6 22.82 4.30 6 8 -4 13.39 3.39 6 8 -3 21.68 4.46 6 8 -2 -0.41 3.50 6 8 -1 10.15 3.92 6 8 0 13.05 3.52 6 8 1 221.44 11.39 6 8 2 81.86 7.71 6 8 3 17.92 4.01 6 8 4 26.93 5.41 6 8 5 -2.62 2.82 6 8 6 39.56 6.03 6 8 7 -0.55 4.24 6 8 8 -3.19 4.24 6 8 9 16.38 5.45 6 8 10 26.83 6.07 6 8 11 53.74 7.09 6 8 12 5.11 3.95 6 8 13 188.06 12.97 6 8 14 54.23 7.93 6 8 15 500.34 21.81 6 8 16 2.49 5.20 6 8 17 5.46 5.43 6 8 18 16.74 7.32 6 8 19 10.03 6.77 6 8 20 -0.07 5.03 6 8 21 23.81 7.94 6 8 22 108.02 12.98 6 8 23 7.24 9.51 6 8 24 9.32 8.90 6 8 25 11.37 9.75 6 8 26 12.68 10.35 6 8 27 8.40 9.52 -6 -9 6 20.90 3.70 6 9 -5 22.47 3.84 6 9 -4 17.26 3.69 6 9 -3 28.53 4.97 6 9 -2 271.38 13.38 6 9 -1 -1.77 3.76 6 9 0 84.81 7.15 6 9 1 5.23 4.16 6 9 2 82.87 7.22 6 9 3 24.33 5.43 6 9 4 96.25 8.21 6 9 5 1.57 2.92 6 9 6 0.40 3.40 6 9 7 99.86 8.35 6 9 8 -2.89 3.19 6 9 9 0.57 3.47 6 9 10 2.72 3.57 6 9 11 54.22 7.55 6 9 12 -1.89 5.09 6 9 13 34.80 6.57 6 9 14 388.74 18.66 6 9 15 14.52 5.94 6 9 16 243.50 16.15 6 9 17 9.10 5.78 6 9 18 43.68 9.56 6 9 19 18.80 8.34 6 9 20 18.23 6.47 6 9 21 -2.09 6.00 6 9 22 -7.08 8.35 6 9 23 -4.84 8.03 6 9 24 3.69 9.05 6 9 25 16.11 7.57 6 9 26 -2.03 6.80 -6 -10 6 96.37 7.26 6 10 -5 15.11 3.62 6 10 -4 3.43 2.96 6 10 -3 2.87 3.54 6 10 -2 26.70 5.55 6 10 -1 0.98 3.87 6 10 0 0.32 3.53 6 10 1 2.92 2.88 6 10 2 6.82 3.16 6 10 3 22.37 4.80 6 10 4 -1.56 3.83 6 10 5 125.92 9.93 6 10 6 472.20 18.15 6 10 7 261.90 14.77 6 10 8 621.82 21.05 6 10 9 1.16 3.97 6 10 10 13.96 4.73 6 10 11 9.78 5.79 6 10 12 2.04 5.33 6 10 13 13.37 5.48 6 10 14 55.05 9.52 6 10 15 141.88 11.92 6 10 16 3.56 6.54 6 10 17 5.75 5.24 6 10 18 -2.90 6.80 6 10 19 -2.99 7.27 6 10 20 5.40 5.85 6 10 21 7.86 8.01 6 10 22 -8.93 7.83 6 10 23 -2.53 6.31 6 10 24 16.21 8.10 6 10 25 6.46 7.52 6 10 26 6.69 10.31 6 11 -5 4.86 3.06 6 11 -4 -0.54 2.96 6 11 -3 -0.61 3.66 6 11 -2 5.92 4.72 6 11 -1 34.40 5.60 6 11 0 61.41 6.67 6 11 1 0.23 3.90 6 11 2 26.37 5.63 6 11 3 3.07 4.12 6 11 4 69.92 8.15 6 11 5 2.93 4.89 6 11 6 156.63 11.70 6 11 7 702.69 22.55 6 11 8 73.94 8.60 6 11 9 203.03 12.51 6 11 10 5.69 5.81 6 11 11 77.56 8.36 6 11 12 3.07 3.99 6 11 13 4.07 5.63 6 11 14 2.16 4.43 6 11 15 -6.68 5.84 6 11 16 2.22 4.66 6 11 17 6.08 6.55 6 11 18 1.33 5.15 6 11 19 7.14 6.10 6 11 20 115.53 14.43 6 11 21 53.58 9.79 6 11 22 33.61 8.75 6 11 23 2.13 8.62 6 11 24 8.50 9.74 6 11 25 14.34 10.56 6 12 -6 0.22 2.86 6 12 -5 0.62 3.14 6 12 -4 -1.88 3.27 6 12 -3 -1.53 3.05 6 12 -2 124.10 10.83 6 12 -1 310.40 15.14 6 12 0 338.61 16.30 6 12 1 464.42 17.97 6 12 2 17.68 4.67 6 12 3 8.46 4.91 6 12 4 8.70 5.12 6 12 5 9.02 4.13 6 12 6 -1.39 5.05 6 12 7 139.15 11.43 6 12 8 69.07 8.29 6 12 9 10.91 4.82 6 12 10 2.50 5.38 6 12 11 3.00 4.38 6 12 12 9.80 6.21 6 12 13 -3.10 3.78 6 12 14 35.15 7.67 6 12 15 -4.26 4.15 6 12 16 -5.70 6.02 6 12 17 9.67 5.53 6 12 18 -0.08 7.02 6 12 19 46.58 8.94 6 12 20 3.88 6.56 6 12 21 273.48 20.69 6 12 22 39.91 9.21 6 12 23 8.74 6.70 6 12 24 0.16 8.90 6 12 25 2.17 9.49 6 13 -6 4.93 3.37 6 13 -5 19.45 4.25 6 13 -4 -1.56 3.35 6 13 -3 2.63 4.53 6 13 -2 -3.95 4.68 6 13 -1 123.33 10.09 6 13 0 201.98 13.14 6 13 1 58.56 6.99 6 13 2 33.21 6.56 6 13 3 10.73 4.03 6 13 4 105.77 9.54 6 13 5 0.32 3.43 6 13 6 23.86 6.14 6 13 7 3.86 3.80 6 13 8 5.28 5.36 6 13 9 -2.40 5.16 6 13 10 6.08 4.43 6 13 11 24.15 7.24 6 13 12 5.50 5.10 6 13 13 250.08 15.70 6 13 14 36.27 6.99 6 13 15 35.77 7.22 6 13 16 -9.47 6.13 6 13 17 15.43 6.19 6 13 18 4.28 7.34 6 13 20 76.73 11.29 6 13 21 23.33 10.17 6 13 22 56.13 12.36 6 13 23 7.03 6.78 6 13 24 9.46 7.33 6 14 -6 54.55 6.62 6 14 -5 -1.13 3.53 6 14 -4 8.56 4.64 6 14 -3 -0.88 3.97 6 14 -2 1.35 4.42 6 14 -1 3.22 5.10 6 14 0 52.70 7.66 6 14 1 45.91 7.30 6 14 2 1.14 3.25 6 14 3 6.19 5.01 6 14 4 3.13 3.52 6 14 5 34.59 6.05 6 14 6 4.35 5.40 6 14 7 69.81 8.12 6 14 8 -0.30 5.56 6 14 9 0.56 4.32 6 14 10 7.93 7.02 6 14 11 6.25 4.89 6 14 12 225.26 15.63 6 14 13 24.77 6.72 6 14 14 378.97 18.92 6 14 15 20.87 7.81 6 14 16 10.94 6.05 6 14 17 7.26 5.70 6 14 18 4.92 7.32 6 14 19 6.52 6.03 6 14 20 3.87 5.94 6 14 21 -6.61 8.32 6 14 22 -7.89 6.53 6 14 23 -2.16 7.11 6 15 -5 1.61 4.17 6 15 -4 0.81 4.54 6 15 -3 15.41 4.67 6 15 -2 2.88 4.61 6 15 -1 7.03 5.01 6 15 0 3.13 3.43 6 15 1 3.04 3.22 6 15 2 0.39 3.24 6 15 3 1.27 5.12 6 15 4 37.54 7.08 6 15 5 31.28 7.44 6 15 6 319.40 16.03 6 15 7 13.36 6.98 6 15 8 38.72 8.51 6 15 9 -6.55 4.21 6 15 10 26.45 8.12 6 15 11 1.01 4.54 6 15 12 4.43 5.20 6 15 13 128.95 13.04 6 15 14 4.58 5.09 6 15 15 24.67 6.63 6 15 16 6.62 6.93 6 15 17 5.73 7.39 6 15 18 1.26 5.48 6 15 19 -3.56 7.28 6 15 20 -4.77 7.62 6 15 21 -3.50 6.23 6 15 22 0.33 6.81 6 16 -5 0.81 4.29 6 16 -4 8.23 5.02 6 16 -3 4.29 3.89 6 16 -2 50.96 8.22 6 16 -1 8.83 5.47 6 16 0 10.82 5.49 6 16 1 -2.19 4.48 6 16 2 6.64 5.11 6 16 3 -1.77 4.90 6 16 4 16.51 6.16 6 16 5 161.63 12.62 6 16 6 65.32 9.64 6 16 7 232.47 14.17 6 16 8 4.37 4.84 6 16 9 2.39 6.29 6 16 10 24.77 7.92 6 16 11 6.11 5.03 6 16 12 6.48 5.04 6 16 13 -2.34 6.57 6 16 14 -2.35 6.58 6 16 15 -3.00 4.69 6 16 16 1.74 4.85 6 16 17 3.09 7.41 6 16 18 8.43 8.23 6 16 19 4.51 6.01 6 16 20 8.82 6.68 6 17 -4 -2.53 4.84 6 17 -3 15.16 5.13 6 17 -2 30.98 7.47 6 17 -1 114.06 11.04 6 17 0 3.04 3.79 6 17 1 -2.50 4.85 6 17 2 -1.04 4.79 6 17 3 37.21 7.51 6 17 4 0.89 4.99 6 17 5 0.91 5.32 6 17 6 40.50 8.05 6 17 7 1.62 5.50 6 17 8 8.50 4.81 6 17 9 4.56 4.70 6 17 10 19.10 6.15 6 17 11 -0.80 6.58 6 17 12 5.69 6.79 6 17 13 4.84 7.09 6 17 14 2.64 5.70 6 17 15 26.18 7.43 6 17 16 -1.21 5.01 6 17 17 8.00 7.65 6 17 18 8.96 8.10 6 17 19 39.16 10.72 6 18 -4 -6.63 4.69 6 18 -3 7.72 4.39 6 18 -2 53.84 8.59 6 18 -1 39.84 7.98 6 18 0 80.75 9.66 6 18 1 -3.86 5.11 6 18 2 9.23 6.11 6 18 3 1.32 3.66 6 18 4 3.81 3.90 6 18 5 10.21 5.96 6 18 6 6.48 6.05 6 18 7 -0.92 5.31 6 18 8 -0.14 5.75 6 18 9 10.93 6.77 6 18 10 4.10 6.34 6 18 11 9.70 5.53 6 18 12 4.08 5.29 6 18 13 20.32 6.88 6 18 14 3.29 5.94 6 18 15 -12.22 6.97 6 18 16 5.27 8.01 6 18 17 0.38 7.42 6 19 -3 6.30 5.79 6 19 -2 -0.32 5.01 6 19 -1 0.68 5.04 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4.76 7 3 20 94.70 11.23 7 3 21 2.29 5.07 7 3 22 33.58 9.76 7 3 23 17.95 7.11 7 3 24 55.30 11.04 7 3 25 7.20 5.95 7 3 26 12.41 7.89 7 3 27 31.89 9.52 7 4 -6 84.10 5.46 7 4 -5 87.62 5.30 7 4 -3 -0.27 2.61 7 4 -2 300.53 9.74 7 4 -1 72.86 5.23 7 4 0 419.34 11.80 7 4 1 62.94 5.33 7 4 2 28.50 4.05 7 4 3 93.11 6.51 7 4 4 0.53 2.76 7 4 5 258.55 11.39 7 4 6 -0.65 3.33 7 4 7 30.07 5.71 7 4 8 62.50 7.51 7 4 9 88.22 8.48 7 4 10 1.38 4.45 7 4 11 61.47 7.95 7 4 12 208.67 13.52 7 4 13 14.98 5.07 7 4 14 122.11 10.95 7 4 15 108.73 10.77 7 4 16 459.04 21.56 7 4 17 177.74 13.89 7 4 18 16.06 6.29 7 4 19 14.81 7.36 7 4 20 25.21 8.22 7 4 21 32.40 7.69 7 4 22 -7.89 7.08 7 4 24 7.12 6.97 7 4 25 20.69 9.51 7 4 26 8.26 8.20 7 4 27 2.81 5.95 7 5 -6 1.23 3.52 7 5 -5 108.21 6.72 7 5 -4 -0.22 2.97 7 5 -3 3.52 2.92 7 5 -2 6.21 3.08 7 5 -1 22.11 4.16 7 5 0 1.01 2.49 7 5 1 6.47 3.17 7 5 2 -0.87 2.62 7 5 3 19.28 3.40 7 5 4 33.39 4.56 7 5 5 1.38 3.36 7 5 6 152.44 9.51 7 5 7 6.68 3.40 7 5 8 1576.77 31.91 7 5 9 406.20 17.18 7 5 10 294.61 14.99 7 5 11 2.39 3.70 7 5 12 5.32 3.90 7 5 13 88.90 9.56 7 5 14 -2.23 5.75 7 5 15 90.43 10.23 7 5 16 18.40 6.69 7 5 17 104.69 11.58 7 5 18 7.07 5.40 7 5 19 4.21 6.89 7 5 20 12.13 8.42 7 5 21 -1.77 7.27 7 5 22 37.67 8.75 7 5 23 18.94 7.75 7 5 24 -8.95 7.69 7 5 25 11.35 8.88 7 5 26 4.90 9.15 7 5 27 7.76 6.63 7 6 -6 34.96 4.52 7 6 -5 6.44 4.04 7 6 -3 6.54 3.45 7 6 -2 16.13 3.64 7 6 -1 1.11 2.84 7 6 0 426.88 14.24 7 6 1 22.82 4.76 7 6 2 143.75 8.70 7 6 3 1.17 3.58 7 6 4 60.96 6.50 7 6 5 151.82 9.43 7 6 6 3.71 4.07 7 6 7 248.36 12.90 7 6 8 21.65 5.10 7 6 9 673.86 21.57 7 6 10 140.39 10.57 7 6 11 16.27 6.34 7 6 12 26.08 7.19 7 6 13 40.61 6.85 7 6 14 17.32 5.47 7 6 15 -2.86 4.48 7 6 16 -5.59 4.87 7 6 17 -0.63 5.24 7 6 18 14.99 6.28 7 6 19 -0.99 5.01 7 6 20 3.85 5.59 7 6 21 160.24 14.74 7 6 22 31.84 10.77 7 6 23 195.62 17.92 7 6 24 4.45 8.63 7 6 25 26.66 10.18 7 6 26 1.44 8.56 7 6 27 4.21 6.94 7 7 -6 4.22 3.18 7 7 -5 -0.39 3.49 7 7 -4 40.58 5.28 7 7 -3 13.41 3.92 7 7 -2 -1.52 3.78 7 7 -1 412.07 14.68 7 7 0 14.77 4.92 7 7 1 1966.10 33.18 7 7 2 168.02 10.42 7 7 3 162.80 10.25 7 7 4 10.08 4.55 7 7 5 61.43 7.21 7 7 6 50.08 6.69 7 7 7 1.51 4.14 7 7 8 247.92 13.57 7 7 9 -0.97 3.47 7 7 10 103.71 9.79 7 7 11 10.23 4.51 7 7 12 2.07 5.52 7 7 13 9.01 6.38 7 7 14 51.96 8.38 7 7 15 78.00 9.59 7 7 16 5.86 5.34 7 7 17 3.09 6.81 7 7 18 17.88 8.01 7 7 19 9.89 7.71 7 7 20 8.24 7.97 7 7 21 209.79 18.19 7 7 22 346.73 22.47 7 7 23 52.18 12.52 7 7 24 51.85 12.30 7 7 25 1.92 8.87 7 7 26 32.34 11.12 7 8 -6 6.93 3.79 7 8 -5 78.73 7.13 7 8 -4 23.63 4.61 7 8 -3 134.23 9.30 7 8 -2 73.67 6.80 7 8 -1 -0.86 3.47 7 8 0 403.80 15.17 7 8 1 11.72 5.06 7 8 2 572.18 18.28 7 8 3 35.37 6.05 7 8 4 42.72 6.67 7 8 5 21.74 5.26 7 8 6 23.73 5.88 7 8 7 5.91 4.63 7 8 8 -3.88 2.84 7 8 9 5.12 4.09 7 8 10 14.92 6.18 7 8 11 29.99 5.76 7 8 12 35.04 7.41 7 8 13 79.95 9.13 7 8 14 383.54 19.01 7 8 15 71.86 11.01 7 8 16 256.77 17.76 7 8 17 4.60 5.12 7 8 18 39.05 7.71 7 8 19 7.23 6.09 7 8 20 -4.12 7.45 7 8 21 61.20 11.91 7 8 22 67.92 13.13 7 8 23 143.40 16.58 7 8 24 3.54 9.33 7 8 25 6.83 10.11 7 8 26 8.47 10.02 7 9 -5 18.76 5.47 7 9 -4 30.08 5.33 7 9 -3 0.36 3.52 7 9 -2 32.17 5.28 7 9 -1 2.29 3.66 7 9 0 15.78 4.91 7 9 1 222.63 11.75 7 9 2 2.21 3.83 7 9 3 107.45 8.88 7 9 4 3.02 4.18 7 9 5 52.81 7.32 7 9 6 44.55 6.05 7 9 7 133.09 10.15 7 9 8 133.19 10.97 7 9 9 1.99 5.24 7 9 10 19.76 5.15 7 9 11 12.88 6.44 7 9 12 13.05 5.08 7 9 13 28.79 7.76 7 9 14 501.36 21.21 7 9 15 360.48 18.91 7 9 16 98.91 12.06 7 9 17 28.40 7.39 7 9 18 -1.97 4.67 7 9 19 48.18 8.61 7 9 20 5.97 7.65 7 9 21 -6.80 8.07 7 9 22 -3.91 9.26 7 9 23 -4.37 8.91 7 9 24 2.33 9.72 7 9 25 -8.59 8.82 7 9 26 10.05 10.80 7 10 -5 163.86 10.74 7 10 -4 3.73 4.00 7 10 -3 -0.71 3.67 7 10 -2 18.36 4.72 7 10 0 12.38 3.68 7 10 1 1.87 2.69 7 10 2 39.44 5.62 7 10 3 11.70 3.81 7 10 4 38.21 6.40 7 10 5 23.04 6.03 7 10 6 333.49 16.36 7 10 7 372.81 16.25 7 10 8 239.76 13.89 7 10 9 111.58 10.69 7 10 10 2.41 4.22 7 10 11 102.74 10.04 7 10 12 -1.97 3.79 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1 74.64 8.14 8 -13 2 152.62 10.30 8 -13 3 30.78 6.01 8 -13 4 0.84 3.66 8 -13 5 32.73 5.71 8 -13 6 1.23 2.86 8 -13 7 38.54 6.11 8 -13 8 1.97 2.89 8 -13 9 5.13 4.13 8 -13 10 0.40 4.28 8 -13 11 -2.06 4.36 8 -13 12 -4.17 4.23 8 -13 13 1.34 3.45 8 -13 14 1.99 4.68 8 -13 15 1.67 3.56 8 -13 16 -5.41 4.60 -8 12 9 -0.01 5.58 -8 12 8 144.08 16.60 -8 12 7 48.32 10.94 8 -12 -6 171.01 12.24 8 -12 -5 58.99 7.95 8 -12 -4 9.87 4.89 8 -12 -3 0.35 2.85 8 -12 -2 3.36 4.11 8 -12 -1 -1.62 3.74 8 -12 0 3.40 3.77 8 -12 1 87.65 8.13 8 -12 2 22.00 4.58 8 -12 3 35.73 5.75 8 -12 4 -2.53 3.50 8 -12 5 -1.52 3.32 8 -12 6 5.63 3.64 8 -12 7 1.80 2.31 8 -12 8 6.81 4.11 8 -12 9 0.77 3.57 8 -12 10 2.99 2.99 8 -12 11 12.02 3.92 8 -12 12 -0.47 3.88 8 -12 13 18.11 5.40 8 -12 14 8.41 4.11 8 -12 15 72.94 8.63 8 -12 16 0.26 4.88 8 -12 17 7.29 4.40 8 -12 18 0.39 3.78 -8 11 9 4.79 7.37 -8 11 8 12.64 8.11 -8 11 7 362.51 22.42 8 -11 -6 32.40 6.07 8 -11 -5 144.19 10.13 8 -11 -4 3.95 3.33 8 -11 -3 -4.12 3.33 8 -11 -2 77.84 7.87 8 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2.90 1.94 10 2 1 196.31 8.31 10 2 2 24.02 3.62 10 2 3 581.58 16.31 10 2 4 20.81 4.21 10 2 5 22.69 4.48 10 2 5 24.63 4.65 10 2 6 9.79 4.12 10 2 7 19.26 4.21 10 2 8 45.17 6.69 10 2 9 -2.19 2.86 10 2 10 4.17 4.99 10 2 11 -8.85 4.40 10 2 12 -2.03 3.41 10 2 13 12.41 5.05 10 2 14 23.46 6.25 10 2 15 57.07 8.56 10 2 16 -2.23 6.30 10 2 17 59.35 10.20 10 2 18 0.40 4.76 10 2 19 31.12 7.33 10 2 20 8.49 5.89 10 2 21 2.12 4.99 10 2 22 4.92 7.02 10 2 23 11.05 7.83 10 2 24 10.22 6.85 10 2 25 26.01 8.42 10 3 -1 70.48 5.02 10 3 0 41.78 4.40 10 3 1 6.80 3.20 10 3 2 90.42 6.92 10 3 3 4.05 3.39 10 3 4 60.77 6.82 10 3 5 1.62 3.82 10 3 6 129.00 10.01 10 3 7 63.37 7.77 10 3 8 156.10 11.38 10 3 9 83.36 8.78 10 3 10 22.68 5.80 10 3 11 187.73 13.42 10 3 12 2.78 4.30 10 3 13 132.42 11.83 10 3 14 -1.54 5.97 10 3 15 25.17 7.97 10 3 16 1.20 6.54 10 3 17 -1.56 4.64 10 3 18 19.93 7.14 10 3 19 2.13 5.54 10 3 20 13.54 8.84 10 3 21 2.86 7.75 10 3 22 -2.79 4.76 10 3 23 2.98 5.66 10 3 24 3.45 7.91 10 3 25 0.54 6.27 10 4 -1 1.25 2.53 10 4 0 35.25 4.56 10 4 1 7.65 3.06 10 4 2 -0.60 3.50 10 4 3 -3.26 2.96 10 4 4 -5.06 3.38 10 4 5 52.41 6.98 10 4 6 0.63 4.50 10 4 7 50.45 7.58 10 4 8 43.17 7.40 10 4 9 6.91 5.69 10 4 10 66.43 9.27 10 4 11 1.86 4.68 10 4 12 22.50 7.58 10 4 13 2.22 6.81 10 4 14 1.96 5.25 10 4 15 2.05 5.35 10 4 16 11.67 7.70 10 4 17 1.13 5.29 10 4 18 22.34 7.56 10 4 19 12.03 8.52 10 4 20 19.10 7.21 10 4 21 0.45 5.66 10 4 22 3.18 8.12 10 4 23 6.49 6.99 10 4 24 25.29 10.10 10 4 25 3.14 6.70 10 5 -1 156.57 8.58 10 5 0 33.05 5.23 10 5 1 167.28 9.96 10 5 2 136.40 10.00 10 5 3 74.47 8.05 10 5 4 283.70 14.44 10 5 5 0.89 4.37 10 5 6 177.93 11.72 10 5 7 -1.77 4.25 10 5 8 9.91 4.37 10 5 9 4.35 5.47 10 5 10 13.44 5.44 10 5 11 8.82 7.07 10 5 12 -3.22 6.16 10 5 13 2.09 5.26 10 5 14 -8.54 6.15 10 5 15 4.57 5.48 10 5 16 -2.95 6.66 10 5 17 25.89 8.02 10 5 18 8.46 8.91 10 5 19 12.27 6.80 10 5 20 30.46 9.92 10 5 21 2.69 5.82 10 5 22 22.43 9.58 10 5 23 0.90 6.41 10 5 24 38.61 11.71 10 5 25 5.78 9.87 10 6 0 41.60 6.23 10 6 1 2.35 3.58 10 6 2 -0.59 3.63 10 6 3 2.77 4.23 10 6 4 -3.70 4.23 10 6 5 1.32 4.70 10 6 6 -0.91 4.66 10 6 7 -1.56 5.25 10 6 8 -2.97 3.65 10 6 9 -2.19 5.21 10 6 10 -2.89 5.58 10 6 11 6.97 5.16 10 6 12 2.01 6.55 10 6 13 5.68 5.23 10 6 14 2.20 6.87 10 6 15 3.79 5.28 10 6 16 20.35 8.70 10 6 17 17.30 8.96 10 6 18 20.04 7.85 10 6 19 16.89 9.85 10 6 20 -4.44 5.99 10 6 21 5.72 8.65 10 6 22 4.29 8.95 10 6 23 14.49 7.57 10 6 24 11.56 9.68 10 6 25 -5.86 6.70 10 7 0 0.98 3.65 10 7 1 21.32 5.06 10 7 2 15.35 4.99 10 7 3 6.33 4.62 10 7 4 3.43 4.47 10 7 5 2.43 3.43 10 7 6 2.79 3.58 10 7 7 -2.08 4.91 10 7 8 34.23 7.59 10 7 9 -11.69 5.39 10 7 10 138.86 12.39 10 7 11 19.24 6.13 10 7 12 17.85 7.59 10 7 13 19.08 5.98 10 7 14 4.87 5.61 10 7 15 65.37 10.98 10 7 16 -2.75 7.86 10 7 17 45.91 9.31 10 7 18 -0.29 8.31 10 7 19 -2.49 5.92 10 7 20 -0.52 6.04 10 7 21 -1.87 9.08 10 7 22 -2.85 8.85 10 7 23 -8.91 5.53 10 7 24 7.63 9.98 10 7 25 -7.66 9.14 10 8 0 6.40 4.86 10 8 1 -1.07 4.20 10 8 2 5.78 4.73 10 8 3 0.72 4.34 10 8 4 21.85 5.96 10 8 5 6.80 5.43 10 8 6 6.15 5.59 10 8 7 0.85 5.24 10 8 8 -0.50 5.54 10 8 9 92.93 10.62 10 8 10 3.21 6.53 10 8 11 46.75 8.40 10 8 12 16.56 6.41 10 8 13 -2.53 6.65 10 8 14 3.15 6.88 10 8 15 -0.26 6.71 10 8 16 3.49 6.37 10 8 17 8.07 8.27 10 8 18 17.55 9.89 10 8 19 4.20 6.46 10 8 20 49.63 10.74 10 8 21 9.96 9.76 10 8 22 -2.55 8.96 10 8 23 43.15 11.04 10 8 24 43.99 10.97 10 8 25 -0.81 9.79 10 9 0 0.32 4.33 10 9 1 134.87 10.55 10 9 2 4.91 5.37 10 9 3 164.13 11.62 10 9 4 17.60 6.06 10 9 5 21.42 6.27 10 9 6 6.27 4.70 10 9 7 13.80 5.11 10 9 8 25.35 5.87 10 9 9 10.61 6.27 10 9 10 14.34 6.43 10 9 11 -7.44 5.41 10 9 12 -5.67 6.09 10 9 13 0.51 7.32 10 9 14 2.47 7.75 10 9 15 0.74 5.14 10 9 16 9.88 6.12 10 9 17 0.72 5.52 10 9 18 24.43 9.81 10 9 19 122.88 15.72 10 9 20 46.90 10.19 10 9 21 12.33 7.82 10 9 22 -1.75 9.54 10 9 23 17.73 10.56 10 10 1 -2.93 4.16 10 10 2 24.53 6.17 10 10 3 6.30 5.81 10 10 4 21.88 6.61 10 10 5 0.49 5.62 10 10 6 -2.92 4.80 10 10 7 15.51 6.20 10 10 8 1.25 5.57 10 10 9 4.74 5.97 10 10 10 3.81 5.70 10 10 11 150.69 13.18 10 10 12 9.13 7.37 10 10 13 130.99 13.59 10 10 14 -1.73 7.53 10 10 15 -6.65 7.79 10 10 16 18.86 7.20 10 10 17 2.16 5.86 10 10 18 0.05 5.66 10 10 19 0.36 8.65 10 10 20 51.49 12.36 10 10 21 -5.41 9.41 10 10 22 -0.54 6.46 10 10 23 10.44 8.43 10 10 24 -4.72 7.33 10 11 1 17.40 5.75 10 11 2 -1.48 4.65 10 11 3 2.70 3.86 10 11 4 -1.71 3.72 10 11 5 1.54 3.99 10 11 6 -1.36 3.85 10 11 7 28.24 5.90 10 11 8 14.37 5.17 10 11 9 5.15 4.71 10 11 10 33.73 6.96 10 11 11 6.09 5.33 10 11 12 197.54 14.74 10 11 13 15.29 6.52 10 11 14 2.30 5.69 10 11 15 -3.67 6.91 10 11 16 52.13 11.03 10 11 17 16.63 9.22 10 11 19 -9.94 7.61 10 11 20 0.09 6.64 10 11 21 1.22 6.92 10 11 22 -6.96 6.83 10 11 23 -2.11 9.55 10 12 1 0.83 4.77 10 12 2 16.24 6.13 10 12 3 19.65 6.76 10 12 4 324.79 16.44 10 12 5 15.06 7.18 10 12 6 166.62 13.03 10 12 7 -0.05 5.38 10 12 8 3.29 5.65 10 12 9 10.85 6.32 10 12 10 -4.46 5.90 10 12 11 39.87 9.69 10 12 12 -9.50 6.42 10 12 13 68.23 10.66 10 12 14 3.41 7.17 10 12 15 0.12 7.16 10 12 16 -3.24 7.24 10 12 17 -7.52 7.53 10 12 18 -4.29 6.10 10 12 19 -1.66 6.44 10 12 20 -5.51 6.29 10 12 21 -0.25 6.71 10 12 22 2.02 9.13 10 13 2 -2.50 4.97 10 13 3 40.08 7.98 10 13 4 32.02 7.67 10 13 5 204.97 13.33 10 13 6 3.24 4.66 10 13 7 5.60 4.63 10 13 8 -0.34 4.07 10 13 9 35.37 6.49 10 13 10 2.86 5.81 10 13 11 -2.55 6.09 10 13 12 -5.47 6.50 10 13 13 -5.07 6.26 10 13 14 -3.93 6.61 10 13 15 -4.61 7.01 10 13 16 6.32 7.74 10 13 17 19.13 9.32 10 13 18 35.08 9.53 10 13 19 53.68 10.99 10 13 20 -2.45 6.53 10 13 21 -6.88 5.90 10 14 2 4.70 5.24 10 14 3 -3.03 4.03 10 14 4 27.19 7.68 10 14 5 10.80 6.30 10 14 6 47.12 8.23 10 14 7 -7.32 5.55 10 14 8 -1.47 5.67 10 14 9 -2.71 5.53 10 14 10 23.33 5.80 10 14 11 5.97 4.88 10 14 12 9.76 5.82 10 14 13 -0.35 4.79 10 14 14 -1.80 6.34 10 14 15 0.87 7.20 10 14 16 6.64 8.07 10 14 17 120.03 14.19 10 14 18 58.84 12.38 10 14 19 97.31 14.79 10 14 20 25.35 9.14 10 14 21 -8.59 5.74 10 15 2 19.27 6.13 10 15 3 6.09 5.47 10 15 4 6.54 5.87 10 15 5 1.31 5.46 10 15 7 -1.04 5.72 10 15 8 -1.43 4.41 10 15 9 28.01 6.41 10 15 10 33.48 8.44 10 15 11 114.82 11.67 10 15 12 61.09 9.93 10 15 13 2.97 7.42 10 15 14 0.68 4.98 10 15 15 2.18 5.14 10 15 16 -1.97 5.46 10 15 17 2.17 6.21 10 15 18 43.72 9.71 10 15 19 38.55 11.17 10 16 3 32.18 6.88 10 16 4 6.44 5.81 10 16 5 16.60 6.81 10 16 6 -7.85 4.79 10 16 7 -7.83 5.39 10 16 8 -1.26 4.57 10 16 9 10.67 5.41 10 16 10 203.10 14.76 10 16 12 126.62 12.33 10 16 13 14.61 6.59 10 16 14 0.03 5.21 10 16 15 9.19 6.07 10 16 16 -1.34 7.05 10 16 17 -6.63 7.40 10 16 18 -4.60 8.16 10 17 4 98.34 10.20 10 17 5 16.12 6.85 10 17 6 -4.28 3.76 10 17 7 5.42 5.91 10 17 8 1.13 6.10 10 17 9 -3.18 4.38 10 17 10 3.15 6.55 10 17 11 48.29 9.34 10 17 12 12.50 7.02 10 17 13 -2.69 4.43 10 17 14 -4.62 4.86 10 17 15 6.29 7.93 10 17 16 -3.84 7.14 10 18 4 31.71 7.42 10 18 5 46.95 7.18 10 18 6 0.96 5.84 10 18 7 12.33 5.01 10 18 8 4.93 5.86 10 18 9 -0.11 6.25 10 18 10 2.55 4.28 10 18 11 1.06 5.89 10 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9 -0.06 3.23 11 -15 10 -1.02 3.76 11 -15 11 -1.96 3.84 11 -14 -5 9.71 5.65 11 -14 -4 2.60 4.17 11 -14 -3 13.26 5.44 11 -14 -2 5.40 4.88 11 -14 0 14.82 4.70 11 -14 1 7.22 4.85 11 -14 2 24.01 5.77 11 -14 3 -4.84 4.10 11 -14 4 5.42 4.75 11 -14 5 5.80 4.65 11 -14 6 34.34 5.94 11 -14 7 14.33 5.31 11 -14 8 -0.36 3.39 11 -14 9 4.68 3.81 11 -14 10 2.41 3.72 11 -14 11 4.35 3.68 11 -14 12 2.44 3.72 11 -13 -5 4.40 5.28 11 -13 -4 -0.71 4.38 11 -13 -3 2.05 4.52 11 -13 -2 22.80 5.89 11 -13 -1 16.93 5.55 11 -13 0 3.55 4.28 11 -13 1 -1.82 3.73 11 -13 2 4.27 3.99 11 -13 3 11.97 4.69 11 -13 4 1.57 3.91 11 -13 5 91.00 9.08 11 -13 6 8.04 4.04 11 -13 7 72.89 8.15 11 -13 8 6.21 3.73 11 -13 9 1.74 3.07 11 -13 10 5.82 4.91 11 -13 11 1.66 4.58 11 -13 12 2.98 4.12 11 -13 13 0.68 3.47 11 -13 14 1.44 5.18 11 -12 -4 2.38 4.31 11 -12 -3 48.95 7.38 11 -12 -2 12.15 5.25 11 -12 -1 138.38 11.08 11 -12 0 6.25 4.07 11 -12 1 0.30 3.72 11 -12 2 13.12 3.74 11 -12 3 15.72 4.54 11 -12 4 8.61 4.26 11 -12 5 2.49 3.66 11 -12 6 13.52 3.95 11 -12 7 3.94 4.18 11 -12 8 0.28 2.97 11 -12 9 -0.64 4.13 11 -12 10 -0.24 4.19 11 -12 11 0.55 4.67 11 -12 12 2.05 4.65 11 -12 13 2.54 3.54 11 -12 14 1.81 5.03 11 -12 15 17.25 5.27 11 -11 -4 -1.98 3.59 11 -11 -3 12.39 4.85 11 -11 -2 172.06 11.78 11 -11 -1 6.92 3.60 11 -11 0 93.72 8.17 11 -11 1 2.58 2.68 11 -11 2 14.19 4.43 11 -11 3 2.48 2.73 11 -11 4 4.82 3.63 11 -11 5 2.70 3.68 11 -11 6 0.97 3.56 11 -11 7 -0.50 2.47 11 -11 8 -2.91 3.46 11 -11 9 0.05 4.00 11 -11 10 3.88 3.39 11 -11 11 39.18 6.21 11 -11 12 62.97 8.28 11 -11 13 12.34 5.47 11 -11 14 1.35 3.58 11 -11 15 -1.93 4.83 11 -11 16 9.65 4.92 11 -11 17 -2.32 3.89 11 -10 -4 12.84 4.48 11 -10 -3 5.31 3.66 11 -10 -2 8.94 3.99 11 -10 -1 26.99 5.14 11 -10 0 2.21 3.37 11 -10 1 -4.44 2.90 11 -10 2 -2.05 3.11 11 -10 3 -3.29 3.02 11 -10 4 6.60 4.07 11 -10 5 0.72 2.51 11 -10 6 3.41 3.50 11 -10 7 3.18 3.60 11 -10 8 30.62 5.05 11 -10 9 1.68 2.74 11 -10 10 16.88 5.16 11 -10 11 54.75 7.34 11 -10 12 114.97 9.69 11 -10 13 84.53 8.71 11 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-5.13 5.81 11 -7 -2 88.44 6.73 11 -7 -1 65.20 5.89 11 -7 0 0.35 2.48 11 -7 1 12.93 3.38 11 -7 2 14.66 3.06 11 -7 3 2.49 2.12 11 -7 4 205.07 10.08 11 -7 5 23.20 4.03 11 -7 6 260.55 11.72 11 -7 7 18.00 3.83 11 -7 8 0.45 3.18 11 -7 9 1.02 2.38 11 -7 10 7.48 3.28 11 -7 11 1.25 2.77 11 -7 12 -4.20 3.73 11 -7 13 5.55 3.72 11 -7 14 -1.69 4.31 11 -7 15 -0.05 3.47 11 -7 16 4.85 4.24 11 -7 17 26.95 6.25 11 -7 18 88.53 9.96 11 -7 19 9.22 5.34 11 -7 20 15.92 6.04 11 -7 21 5.09 6.80 11 -6 -3 10.51 3.56 11 -6 -1 18.34 3.59 11 -6 0 6.30 2.72 11 -6 1 31.54 4.18 11 -6 2 27.69 3.96 11 -6 3 26.91 4.01 11 -6 4 1.62 2.02 11 -6 5 8.85 3.21 11 -6 6 -0.69 2.70 11 -6 7 -4.12 2.56 11 -6 8 0.19 2.22 11 -6 9 -0.29 2.39 11 -6 10 12.12 3.64 11 -6 11 0.92 2.81 11 -6 12 5.39 4.28 11 -6 13 -0.25 3.06 11 -6 14 32.02 6.51 11 -6 15 5.23 4.01 11 -6 16 0.19 3.58 11 -6 17 10.14 4.95 11 -6 18 10.69 5.29 11 -6 19 77.42 10.67 11 -6 20 5.86 6.73 11 -5 -2 3.22 3.01 11 -5 -1 146.28 7.53 11 -5 0 2.46 2.23 11 -5 1 2.61 2.21 11 -5 2 20.65 3.41 11 -5 3 13.51 2.73 11 -5 4 5.23 2.47 11 -5 5 1.62 2.51 11 -5 6 5.76 3.03 11 -5 7 6.76 2.60 11 -5 8 2.07 3.06 11 -5 9 14.73 4.14 11 -5 10 93.23 8.05 11 -5 11 189.80 11.21 11 -5 12 53.91 6.48 11 -5 13 42.59 6.44 11 -5 14 5.40 4.66 11 -5 15 12.42 4.32 11 -5 16 1.81 3.58 11 -5 17 -2.42 3.34 11 -5 18 -3.72 5.40 11 -5 19 8.82 6.66 11 -5 20 3.94 4.83 11 -5 21 -3.04 5.89 11 -4 -2 9.60 2.54 11 -4 -1 0.82 1.84 11 -4 0 30.06 3.69 11 -4 1 0.51 1.93 11 -4 2 1.75 2.13 11 -4 3 26.80 3.71 11 -4 4 16.38 2.94 11 -4 5 2.68 2.51 11 -4 6 1.11 2.57 11 -4 7 69.09 5.88 11 -4 8 1.99 2.92 11 -4 9 -0.08 3.13 11 -4 10 19.83 4.20 11 -4 11 38.45 5.72 11 -4 12 78.94 8.40 11 -4 13 -3.69 3.96 11 -4 14 3.48 3.57 11 -4 15 -0.01 3.26 11 -4 16 83.82 9.11 11 -4 17 8.37 5.75 11 -4 18 54.83 9.25 11 -4 19 11.19 5.65 11 -4 20 1.94 6.66 11 -4 21 2.76 5.05 11 -4 23 -4.74 4.71 11 -3 -1 23.39 3.06 11 -3 0 0.88 1.62 11 -3 1 1.07 1.62 11 -3 2 33.04 3.68 11 -3 3 189.24 8.40 11 -3 4 194.74 8.58 11 -3 5 69.62 5.63 11 -3 6 21.08 3.82 11 -3 7 2.24 2.76 11 -3 8 32.23 4.90 11 -3 9 0.07 3.10 11 -3 10 2.83 2.87 11 -3 11 5.90 4.41 11 -3 12 2.59 3.24 11 -3 13 4.35 3.47 11 -3 14 3.56 3.44 11 -3 15 11.36 4.54 11 -3 16 -1.42 3.60 11 -3 17 11.98 6.22 11 -3 18 12.55 6.55 11 -3 19 2.59 4.91 11 -3 20 21.63 7.65 11 -3 21 -1.80 6.41 11 -3 22 -2.09 5.18 11 -3 23 -2.83 6.76 11 -2 -1 5.23 1.87 11 -2 0 82.06 4.79 11 -2 1 0.39 1.90 11 -2 2 3.52 1.90 11 -2 3 4.86 2.42 11 -2 4 87.36 6.12 11 -2 5 19.12 3.57 11 -2 6 8.52 3.00 11 -2 7 74.89 6.51 11 -2 8 3.03 3.09 11 -2 9 193.37 11.13 11 -2 10 9.33 3.48 11 -2 11 117.51 9.65 11 -2 12 41.56 6.75 11 -2 13 38.38 6.73 11 -2 14 52.61 7.80 11 -2 15 5.55 5.19 11 -2 16 6.13 4.17 11 -2 17 -0.48 5.48 11 -2 18 0.56 4.30 11 -2 19 4.92 6.79 11 -2 20 4.38 5.30 11 -2 21 7.84 7.27 11 -2 22 2.73 6.73 11 -2 23 6.32 5.79 11 -2 24 4.05 6.29 11 -1 0 8.40 2.18 11 -1 1 114.57 5.68 11 -1 2 4.52 2.25 11 -1 3 25.97 3.74 11 -1 4 0.72 2.31 11 -1 5 12.38 2.74 11 -1 6 25.12 4.12 11 -1 7 26.93 4.40 11 -1 8 43.66 5.54 11 -1 9 -0.84 2.23 11 -1 10 19.83 4.23 11 -1 11 14.07 5.07 11 -1 12 31.19 6.41 11 -1 13 10.07 4.18 11 -1 14 -0.30 3.13 11 -1 15 -2.29 4.82 11 -1 16 3.13 3.86 11 -1 17 4.49 5.78 11 -1 18 3.98 4.91 11 -1 19 10.98 7.18 11 -1 20 13.80 7.80 11 -1 21 9.40 6.07 11 -1 22 -1.43 5.16 11 -1 23 -1.43 7.32 11 -1 24 17.99 8.96 11 0 0 93.63 4.77 11 0 1 27.22 3.27 11 0 2 209.55 8.32 11 0 3 1.09 1.98 11 0 4 122.35 7.36 11 0 5 34.01 4.51 11 0 6 81.40 6.78 11 0 7 43.41 5.38 11 0 8 17.18 3.75 11 0 9 15.78 4.41 11 0 10 -1.07 3.58 11 0 11 31.31 6.08 11 0 12 0.88 4.42 11 0 13 15.16 4.73 11 0 14 -1.69 4.34 11 0 15 7.08 4.39 11 0 16 -3.82 5.08 11 0 17 6.69 4.91 11 0 18 11.41 5.62 11 0 19 2.75 6.71 11 0 20 20.54 8.33 11 0 21 0.28 6.69 11 0 22 -0.24 6.84 11 0 23 2.04 7.56 11 0 24 12.28 8.43 11 1 1 38.11 3.74 11 1 2 4.14 2.00 11 1 3 44.16 4.43 11 1 4 -0.27 2.42 11 1 5 9.02 3.43 11 1 6 -5.17 2.71 11 1 7 1.13 3.30 11 1 8 1.12 2.67 11 1 9 -2.29 2.49 11 1 10 -0.37 2.91 11 1 11 -1.72 4.57 11 1 12 9.26 4.18 11 1 13 31.25 7.03 11 1 14 3.19 3.96 11 1 15 11.86 6.17 11 1 16 3.09 5.72 11 1 17 35.14 6.99 11 1 18 0.79 4.68 11 1 19 40.51 8.15 11 1 20 3.41 5.48 11 1 21 2.89 5.76 11 1 22 6.80 5.99 11 1 23 3.28 5.67 11 1 25 -2.67 5.64 11 2 0 30.70 3.37 11 2 1 48.85 4.74 11 2 2 2.73 2.73 11 2 3 -0.21 2.38 11 2 4 4.98 3.16 11 2 5 24.08 4.77 11 2 6 0.72 2.46 11 2 7 -0.25 2.48 11 2 8 -0.68 3.79 11 2 9 8.79 4.85 11 2 10 30.00 5.82 11 2 11 176.45 12.97 11 2 12 10.07 4.94 11 2 13 109.45 10.98 11 2 14 -0.26 6.13 11 2 15 52.68 9.74 11 2 16 14.01 6.23 11 2 17 46.74 8.37 11 2 18 28.23 7.16 11 2 19 4.03 5.35 11 2 20 -0.12 4.98 11 2 21 0.70 7.02 11 2 22 -0.60 7.30 11 2 23 3.23 7.66 11 2 24 22.23 9.63 11 2 25 11.60 7.38 11 3 1 5.26 3.33 11 3 2 4.99 3.60 11 3 3 -0.26 3.14 11 3 4 -2.49 3.51 11 3 5 8.74 4.70 11 3 6 -1.06 4.25 11 3 7 3.81 3.52 11 3 8 -2.78 4.49 11 3 9 16.82 4.98 11 3 10 18.86 6.56 11 3 11 5.68 5.87 11 3 12 9.95 6.57 11 3 13 -2.33 5.69 11 3 14 4.75 6.63 11 3 15 0.25 4.66 11 3 16 42.00 9.48 11 3 17 12.26 7.68 11 3 18 0.42 7.34 11 3 19 11.58 8.81 11 3 20 31.72 10.23 11 3 21 75.26 11.04 11 3 22 7.93 6.56 11 3 23 -5.54 7.29 11 3 24 11.76 8.79 11 3 25 8.87 6.90 11 4 1 12.23 4.12 11 4 2 9.74 4.26 11 4 3 56.32 7.03 11 4 4 90.84 8.49 11 4 5 6.26 4.46 11 4 6 80.25 8.81 11 4 7 1.75 3.47 11 4 8 80.75 9.68 11 4 9 4.62 5.72 11 4 10 84.76 10.44 11 4 11 -3.44 5.75 11 4 12 3.69 5.21 11 4 13 24.47 7.12 11 4 14 2.29 5.20 11 4 15 -3.06 4.57 11 4 16 -1.25 7.07 11 4 17 38.68 10.11 11 4 18 3.82 5.60 11 4 19 26.95 8.02 11 4 20 82.30 11.89 11 4 21 25.35 10.46 11 4 22 68.87 13.33 11 4 23 3.22 6.63 11 4 24 40.67 11.53 11 4 25 -5.13 8.25 11 5 1 -3.80 3.05 11 5 2 17.64 5.07 11 5 3 6.96 4.74 11 5 4 43.67 6.39 11 5 5 16.97 5.27 11 5 6 0.39 4.51 11 5 7 -5.21 4.48 11 5 8 -5.24 5.10 11 5 9 12.46 6.53 11 5 10 2.79 4.58 11 5 11 39.51 7.93 11 5 12 68.72 10.88 11 5 13 161.72 15.19 11 5 14 172.70 14.83 11 5 15 14.77 6.70 11 5 16 5.11 8.26 11 5 17 6.00 6.30 11 5 18 16.44 7.26 11 5 19 31.95 10.46 11 5 20 37.66 9.43 11 5 21 34.64 10.98 11 5 22 5.72 9.12 11 5 23 -1.37 6.66 11 5 24 -0.20 9.73 11 5 25 1.76 9.66 11 6 1 46.85 7.13 11 6 2 -1.68 4.04 11 6 3 23.41 6.03 11 6 4 -2.14 4.65 11 6 5 -0.31 5.04 11 6 6 16.67 6.12 11 6 7 2.85 5.62 11 6 8 12.39 5.99 11 6 9 1.08 4.33 11 6 10 77.56 10.41 11 6 11 0.56 4.77 11 6 12 42.72 9.63 11 6 13 124.35 13.77 11 6 14 43.05 9.16 11 6 15 42.66 10.82 11 6 16 17.30 7.22 11 6 17 80.30 12.82 11 6 18 2.71 8.40 11 6 19 7.34 7.43 11 6 20 -17.11 8.05 11 6 21 -0.62 6.66 11 6 22 2.68 9.19 11 6 23 5.14 6.90 11 6 24 8.37 9.83 11 7 2 4.27 4.61 11 7 3 -0.77 4.31 11 7 4 177.96 12.36 11 7 5 86.53 9.72 11 7 6 311.92 17.32 11 7 7 191.17 14.44 11 7 8 3.31 6.82 11 7 9 3.72 4.67 11 7 10 -3.29 5.80 11 7 11 2.45 4.41 11 7 12 2.78 6.94 11 7 13 63.11 10.12 11 7 14 22.58 9.50 11 7 15 -3.34 5.47 11 7 16 -2.99 7.73 11 7 17 -8.21 5.45 11 7 18 -4.24 8.42 11 7 19 -3.76 6.33 11 7 20 8.93 10.27 11 7 21 -6.03 7.03 11 7 22 -4.79 8.94 11 7 23 18.23 10.60 11 7 24 2.01 7.49 11 8 2 0.77 4.92 11 8 3 12.06 5.48 11 8 4 -1.35 5.03 11 8 5 215.81 14.13 11 8 6 108.27 10.34 11 8 7 78.39 10.15 11 8 8 15.62 6.96 11 8 9 14.63 6.22 11 8 10 76.68 11.06 11 8 11 0.12 4.88 11 8 12 -2.17 6.50 11 8 13 -10.62 6.38 11 8 14 -6.97 4.93 11 8 15 -7.11 7.43 11 8 16 4.62 8.37 11 8 17 8.53 7.06 11 8 18 12.98 9.61 11 8 19 264.43 20.82 11 8 20 21.43 11.34 11 8 21 54.46 13.16 11 8 22 1.21 7.50 11 8 23 18.45 11.32 11 8 24 3.45 7.78 11 9 2 30.17 6.35 11 9 3 4.61 6.15 11 9 4 6.49 5.79 11 9 5 -2.32 5.95 11 9 6 83.90 9.91 11 9 7 6.44 4.70 11 9 8 3.69 6.15 11 9 9 -4.16 5.70 11 9 10 0.13 4.62 11 9 11 30.10 7.90 11 9 12 -5.77 7.67 11 9 13 44.59 9.11 11 9 14 -4.51 5.03 11 9 15 -9.80 6.51 11 9 16 -2.08 7.69 11 9 17 9.35 7.01 11 9 18 67.82 13.03 11 9 19 53.76 12.74 11 9 20 209.28 19.25 11 9 21 9.65 11.08 11 9 22 -2.12 9.73 11 9 23 2.95 7.86 11 10 2 16.75 6.02 11 10 3 43.64 7.40 11 10 4 7.16 5.46 11 10 5 -1.74 5.29 11 10 6 -2.93 3.71 11 10 7 4.48 6.37 11 10 8 -3.96 5.59 11 10 9 -3.44 5.87 11 10 10 47.04 8.18 11 10 11 49.88 8.92 11 10 12 320.95 20.05 11 10 13 6.56 9.08 11 10 14 23.53 8.18 11 10 15 -7.76 4.65 11 10 16 30.17 9.80 11 10 17 -1.59 7.68 11 10 18 -3.84 6.24 11 10 19 60.30 13.15 11 10 20 6.97 11.05 11 10 21 33.57 10.12 11 10 22 6.88 8.44 11 10 23 9.66 11.07 11 11 3 46.02 7.97 11 11 4 115.98 10.96 11 11 5 23.41 7.08 11 11 6 59.75 9.12 11 11 7 -0.75 4.44 11 11 8 5.98 6.78 11 11 9 18.05 7.29 11 11 10 30.75 8.69 11 11 11 174.46 14.15 11 11 12 110.21 12.13 11 11 13 374.43 21.50 11 11 14 6.11 8.23 11 11 15 -4.11 7.99 11 11 16 5.87 6.59 11 11 17 1.73 5.86 11 11 18 -10.06 7.51 11 11 19 -9.60 8.65 11 11 20 -10.29 6.69 11 11 21 -5.73 6.99 11 11 22 -3.28 9.46 11 12 3 71.41 9.87 11 12 4 153.55 12.66 11 12 5 344.91 17.82 11 12 6 20.81 7.42 11 12 7 6.57 6.46 11 12 8 -3.46 5.98 11 12 9 48.82 9.30 11 12 10 -0.73 4.73 11 12 11 17.43 8.01 11 12 12 46.83 9.94 11 12 13 7.16 7.85 11 12 14 10.16 8.18 11 12 15 -0.86 5.90 11 12 16 12.08 7.40 11 12 17 -7.24 8.23 11 12 18 -1.92 8.72 11 12 19 -4.01 6.07 11 12 20 -6.54 6.23 11 12 21 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-4 9 25 1.38 0.00 -3 9 25 1.43 0.00 -2 9 25 -2.33 0.00 -1 9 25 3.48 0.00 0 9 25 -1.09 0.00 1 9 25 -1.59 0.00 2 9 25 3.68 0.00 3 9 25 -1.62 0.00 4 9 25 -2.70 0.00 5 9 25 0.71 0.00 6 9 25 -1.63 0.00 7 9 25 8.39 0.00 8 9 25 -1.34 0.00 9 9 25 0.79 0.00 -4 10 25 5.72 0.00 -3 10 25 2.42 0.00 -2 10 25 -0.56 0.00 -1 10 25 -4.42 0.00 0 10 25 -3.36 0.00 1 10 25 -2.32 0.00 2 10 25 -3.84 0.00 3 10 25 3.78 0.00 4 10 25 -4.63 0.00 5 10 25 -1.63 0.00 6 10 25 -2.16 0.00 7 10 25 0.95 0.00 8 10 25 5.61 0.00 -3 11 25 6.97 0.00 -2 11 25 0.14 0.00 -1 11 25 0.53 0.00 0 11 25 -0.58 0.00 1 11 25 0.64 0.00 2 11 25 2.95 0.00 3 11 25 2.67 0.00 4 11 25 1.61 0.00 5 11 25 -0.89 0.00 6 11 25 -4.07 0.00 7 11 25 -3.37 0.00 -1 12 25 -4.15 0.00 0 12 25 -0.82 0.00 1 12 25 -2.51 0.00 2 12 25 2.60 0.00 3 12 25 -2.90 0.00 4 12 25 2.63 0.00 5 12 25 -3.46 0.00 0 -3 26 -0.66 0.00 1 -3 26 4.15 0.00 2 -3 26 -1.28 0.00 3 -3 26 1.28 0.00 4 -3 26 4.65 0.00 5 -3 26 -3.34 0.00 -2 -2 26 -3.76 0.00 -1 -2 26 -0.89 0.00 0 -2 26 -5.40 0.00 1 -2 26 1.19 0.00 2 -2 26 3.00 0.00 3 -2 26 -3.10 0.00 4 -2 26 3.87 0.00 5 -2 26 0.90 0.00 6 -2 26 0.63 0.00 7 -2 26 0.42 0.00 -3 -1 26 -1.84 0.00 -2 -1 26 -0.12 0.00 -1 -1 26 -3.00 0.00 0 -1 26 0.30 0.00 1 -1 26 -6.22 0.00 2 -1 26 3.89 0.00 3 -1 26 3.87 0.00 4 -1 26 -4.30 0.00 5 -1 26 2.53 0.00 6 -1 26 -2.81 0.00 7 -1 26 3.99 0.00 8 -1 26 -0.46 0.00 -4 0 26 1.50 0.00 -3 0 26 0.21 0.00 -2 0 26 -5.51 0.00 -1 0 26 3.14 0.00 0 0 26 3.30 0.00 1 0 26 -2.62 0.00 2 0 26 -2.22 0.00 3 0 26 1.83 0.00 4 0 26 3.48 0.00 5 0 26 -1.71 0.00 6 0 26 -1.43 0.00 7 0 26 -1.12 0.00 8 0 26 2.46 0.00 -4 1 26 0.87 0.00 -3 1 26 1.07 0.00 -2 1 26 -2.15 0.00 -1 1 26 -4.90 0.00 0 1 26 4.43 0.00 1 1 26 6.66 0.00 2 1 26 -8.41 0.00 3 1 26 -0.99 0.00 4 1 26 -3.71 0.00 5 1 26 4.44 0.00 6 1 26 2.16 0.00 7 1 26 -2.32 0.00 8 1 26 2.02 0.00 9 1 26 0.31 0.00 -4 2 26 2.39 0.00 -3 2 26 3.14 0.00 -2 2 26 1.26 0.00 -1 2 26 -2.06 0.00 0 2 26 0.83 0.00 1 2 26 3.20 0.00 2 2 26 6.34 0.00 3 2 26 -7.17 0.00 4 2 26 -3.28 0.00 5 2 26 -1.83 0.00 6 2 26 4.72 0.00 7 2 26 0.46 0.00 8 2 26 -1.19 0.00 9 2 26 4.23 0.00 -5 3 26 -4.16 0.00 -4 3 26 0.61 0.00 -3 3 26 -0.62 0.00 -2 3 26 4.64 0.00 -1 3 26 -2.03 0.00 0 3 26 -0.19 0.00 1 3 26 -0.88 0.00 2 3 26 -0.89 0.00 3 3 26 -1.17 0.00 4 3 26 0.02 0.00 5 3 26 -4.28 0.00 6 3 26 3.29 0.00 7 3 26 -1.41 0.00 8 3 26 -4.09 0.00 9 3 26 0.75 0.00 -5 4 26 -4.01 0.00 -4 4 26 -1.49 0.00 -3 4 26 3.29 0.00 -2 4 26 0.96 0.00 -1 4 26 4.09 0.00 0 4 26 2.26 0.00 1 4 26 5.10 0.00 2 4 26 -5.27 0.00 3 4 26 0.46 0.00 4 4 26 -2.40 0.00 5 4 26 6.46 0.00 6 4 26 0.70 0.00 7 4 26 1.69 0.00 8 4 26 -5.51 0.00 9 4 26 -5.32 0.00 -5 5 26 2.22 0.00 -4 5 26 -5.30 0.00 -3 5 26 -0.64 0.00 -2 5 26 -4.44 0.00 -1 5 26 0.44 0.00 0 5 26 -2.80 0.00 1 5 26 2.07 0.00 2 5 26 -0.42 0.00 3 5 26 -4.30 0.00 4 5 26 0.63 0.00 5 5 26 -0.25 0.00 6 5 26 4.68 0.00 7 5 26 3.57 0.00 8 5 26 0.76 0.00 9 5 26 -3.16 0.00 -4 6 26 1.38 0.00 -3 6 26 -1.92 0.00 -2 6 26 3.29 0.00 -1 6 26 -0.20 0.00 0 6 26 3.80 0.00 1 6 26 -4.32 0.00 2 6 26 2.36 0.00 3 6 26 -3.95 0.00 4 6 26 2.90 0.00 5 6 26 -4.35 0.00 6 6 26 -4.79 0.00 7 6 26 3.55 0.00 8 6 26 2.33 0.00 9 6 26 3.60 0.00 -4 7 26 1.42 0.00 -3 7 26 -3.20 0.00 -2 7 26 -2.42 0.00 -1 7 26 4.64 0.00 0 7 26 2.40 0.00 1 7 26 1.50 0.00 2 7 26 -0.01 0.00 3 7 26 2.56 0.00 4 7 26 1.84 0.00 5 7 26 1.43 0.00 6 7 26 -8.66 0.00 7 7 26 -4.87 0.00 8 7 26 6.59 0.00 -3 8 26 0.44 0.00 -2 8 26 -3.57 0.00 -1 8 26 -1.18 0.00 0 8 26 4.84 0.00 1 8 26 2.40 0.00 2 8 26 -1.43 0.00 3 8 26 6.90 0.00 4 8 26 0.61 0.00 5 8 26 3.78 0.00 6 8 26 -6.39 0.00 7 8 26 -7.06 0.00 8 8 26 -0.58 0.00 -3 9 26 -2.26 0.00 -2 9 26 2.16 0.00 -1 9 26 -3.13 0.00 0 9 26 -0.31 0.00 1 9 26 1.05 0.00 2 9 26 -3.21 0.00 3 9 26 -3.01 0.00 4 9 26 3.17 0.00 5 9 26 0.90 0.00 6 9 26 2.16 0.00 7 9 26 -1.97 0.00 -1 10 26 3.97 0.00 0 10 26 1.66 0.00 1 10 26 4.48 0.00 2 10 26 4.60 0.00 3 10 26 -3.08 0.00 4 10 26 1.01 0.00 5 10 26 -4.32 0.00 6 10 26 2.36 0.00 1 11 26 -5.02 0.00 2 11 26 0.14 0.00 3 11 26 1.91 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 260918) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 46 -2 ' ' 2 0.202 0.758 0.920 90 20 ' ' 3 0.500 -0.500 0.500 633 207 ' ' 4 0.387 0.435 0.028 15 0 ' ' 5 0.798 0.242 0.080 90 20 ' ' 6 0.613 0.565 0.972 15 0 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 1 0 0 1.287 2 0 0 2.575 -1 1 0 1.802 0 1 0 1.273 1 1 0 1.819 0 -1 1 1.746 -1 0 1 1.706 0 0 1 0.980 1 0 1 1.525 -1 1 1 2.009 0 1 1 1.454 1 1 1 1.873 0 0 2 1.960 -1 1 2 2.597 -5 5 5 10.093 0 6 5 8.297 1 5 6 7.844 2 3 8 8.211 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL 221122d in P-1 CELL 15.9297 16.2805 21.2960 79.20 83.31 89.27 SPGR P-1 # Solvent Accessible Volume = 889 # Electrons Found in S.A.V. = 247 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others C101 0.513 0.416 0.438 ! 6.01 eA-3 C102 0.402 0.754 0.408 ! 5.48 eA-3 C103 0.840 0.995 0.456 ! 4.78 eA-3 C104 0.504 0.335 0.458 ! 4.75 eA-3 C105 0.824 0.018 0.436 ! 4.71 eA-3 C106 0.829 0.974 0.386 ! 4.25 eA-3 C107 0.327 0.771 0.408 ! 4.13 eA-3 C108 0.518 0.470 0.407 ! 4.12 eA-3 Q109 0.109 0.343 0.342 ! 3.99 eA-3 Q110 0.033 0.284 0.408 ! 3.87 eA-3 C111 0.528 0.459 0.449 ! 3.86 eA-3 Q112 0.046 0.294 0.204 ! 3.84 eA-3 C113 0.837 0.950 0.412 ! 3.81 eA-3 Q114 0.013 0.165 0.418 ! 3.77 eA-3 Q115 0.949 0.102 0.283 ! 3.72 eA-3 Q116 0.813 0.872 0.395 ! 3.62 eA-3 Q117 0.142 0.049 0.358 ! 3.62 eA-3 Q118 0.845 0.938 0.479 ! 3.62 eA-3 Q119 0.139 0.800 0.465 ! 3.53 eA-3 C120 0.246 0.805 0.437 ! 3.51 eA-3 Q121 0.967 0.234 0.262 ! 3.50 eA-3 Q122 0.312 0.147 0.360 ! 3.47 eA-3 C123 0.803 0.925 0.375 ! 3.46 eA-3 Q124 0.081 0.093 0.358 ! 3.45 eA-3 Q125 0.268 0.489 0.170 ! 3.37 eA-3 Q126 0.065 0.421 0.175 ! 3.33 eA-3 Q127 0.250 0.343 0.200 ! 3.26 eA-3 Q128 0.952 0.203 0.433 ! 3.23 eA-3 Q129 0.277 0.189 0.155 ! 3.15 eA-3 Q130 0.109 0.118 0.141 ! 3.15 eA-3 Q131 0.243 0.661 0.262 ! 3.14 eA-3 Q132 0.396 0.236 0.125 ! 3.06 eA-3 Q133 0.217 0.207 0.433 ! 3.06 eA-3 Q134 0.658 0.656 0.279 ! 3.04 eA-3 Q135 0.156 0.409 0.355 ! 3.04 eA-3 Q136 0.628 0.505 0.325 ! 3.01 eA-3 Q137 0.200 0.362 0.052 ! 3.01 eA-3 Q138 0.124 0.491 0.309 ! 3.00 eA-3 Q139 0.884 0.034 0.456 ! 3.00 eA-3 Q140 0.360 0.184 0.234 ! 2.99 eA-3 Q141 0.574 0.505 0.359 ! 2.99 eA-3 C142 0.299 0.690 0.425 ! 2.98 eA-3 Q143 0.046 0.281 0.111 ! 2.97 eA-3 Q144 0.669 0.228 0.471 ! 2.95 eA-3 Q145 0.514 0.530 0.415 ! 2.93 eA-3 C146 0.785 0.203 0.078 ! 2.89 eA-3 Q147 0.317 0.463 0.339 ! 2.88 eA-3 Q148 0.124 0.230 0.130 ! 2.88 eA-3 Q149 0.841 0.326 0.161 ! 2.86 eA-3 Q150 0.894 0.356 0.331 ! 2.86 eA-3 C151 0.775 0.168 0.110 ! 2.85 eA-3 Q152 0.848 0.420 0.503 ! 2.84 eA-3 Q153 0.859 0.080 0.407 ! 2.82 eA-3 Q154 0.402 0.324 0.285 ! 2.82 eA-3 C155 0.488 0.705 0.482 ! 2.80 eA-3 Q156 0.221 0.091 0.222 ! 2.79 eA-3 Q157 0.373 0.208 0.299 ! 2.79 eA-3 Q158 0.559 0.249 0.092 ! 2.76 eA-3 Q159 0.923 0.078 0.482 ! 2.75 eA-3 Q160 0.219 0.326 0.424 ! 2.72 eA-3 Q161 0.025 0.363 0.410 ! 2.70 eA-3 Q162 0.999 0.028 0.185 ! 2.69 eA-3 Q163 0.688 0.709 0.298 ! 2.69 eA-3 C164 0.359 0.699 0.410 ! 2.68 eA-3 Q165 0.441 0.630 0.434 ! 2.67 eA-3 Q166 0.204 0.783 0.481 ! 2.67 eA-3 Q167 0.503 0.407 0.344 ! 2.67 eA-3 Q168 0.295 0.910 0.455 ! 2.66 eA-3 C169 0.565 0.394 0.450 ! 2.66 eA-3 Q170 0.531 0.644 0.482 ! 2.65 eA-3 C171 0.563 0.419 0.404 ! 2.65 eA-3 C172 0.844 0.910 0.351 ! 2.65 eA-3 Q173 0.084 0.125 0.424 ! 2.64 eA-3 Q174 0.015 0.265 0.233 ! 2.61 eA-3 Q175 0.945 0.029 0.452 ! 2.59 eA-3 Q176 0.016 0.978 0.230 ! 2.59 eA-3 Q177 0.297 0.841 0.441 ! 2.59 eA-3 Q178 0.621 0.705 0.282 ! 2.58 eA-3 Q179 0.923 0.892 0.364 ! 2.58 eA-3 Q180 0.365 0.842 0.348 ! 2.57 eA-3 Q181 0.170 0.851 0.435 ! 2.57 eA-3 Q182 0.425 0.266 0.469 ! 2.56 eA-3 C183 0.689 0.269 0.500 ! 2.56 eA-3 Q184 0.872 0.047 0.419 ! 2.56 eA-3 Q185 0.284 0.973 0.421 ! 2.53 eA-3 C186 0.279 0.778 0.458 ! 2.53 eA-3 Q187 0.019 0.186 0.263 ! 2.51 eA-3 Q188 0.086 0.236 0.408 ! 2.51 eA-3 C189 0.781 0.984 0.393 ! 2.50 eA-3 C190 0.889 0.226 0.095 ! 2.49 eA-3 C191 0.750 0.234 0.062 ! 2.48 eA-3 Q192 0.576 0.485 0.318 ! 2.48 eA-3 Q193 0.793 0.106 0.392 ! 2.47 eA-3 Q194 0.872 0.078 0.109 ! 2.47 eA-3 C195 0.939 0.316 0.063 ! 2.47 eA-3 Q196 0.015 0.373 0.153 ! 2.46 eA-3 Q197 0.368 0.096 0.359 ! 2.45 eA-3 Q198 0.597 0.156 0.498 ! 2.45 eA-3 Q199 0.232 0.946 0.245 ! 2.45 eA-3 ) ; _shelx_fab_checksum 78720 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 W1 W 0.11465(7) 0.41259(6) 0.32893(5) 0.0368(3) Uani 1 1 d . U . . . W2 W 0.23774(7) 0.26376(7) 0.42742(5) 0.0429(3) Uani 1 1 d . U . . . W3 W 0.30094(7) 0.07274(7) 0.37683(5) 0.0403(3) Uani 1 1 d . U . . . W4 W 0.23225(6) 0.02301(6) 0.23214(5) 0.0354(3) Uani 1 1 d . U . . . W5 W 0.10990(7) 0.16971(7) 0.13532(4) 0.0361(3) Uani 1 1 d . U . . . W6 W 0.04788(7) 0.36365(7) 0.18547(4) 0.0369(3) Uani 1 1 d . U . . . W7 W 0.26407(6) 0.41146(7) 0.19089(5) 0.0381(3) Uani 1 1 d . U . . . W8 W 0.39041(6) 0.26580(7) 0.29016(5) 0.0426(3) Uani 1 1 d . U . . . W9 W 0.32646(6) 0.21548(7) 0.14474(4) 0.0373(3) Uani 1 1 d . U . . . W10 W 0.01835(6) 0.21922(7) 0.41808(4) 0.0335(3) Uani 1 1 d . U . . . W11 W 0.08074(6) 0.02586(6) 0.37167(4) 0.0327(3) Uani 1 1 d . U . . . W12 W -0.04371(6) 0.16810(6) 0.27410(5) 0.0339(3) Uani 1 1 d . U . . . Pr1 Pr 0.67892(8) 0.71497(8) 0.26879(5) 0.0271(3) Uani 1 1 d . U . . . P1 P 0.1739(3) 0.2171(3) 0.28133(19) 0.0150(9) Uani 1 1 d D U . . . P2 P 0.7485(5) 0.8515(5) 0.1066(3) 0.0467(17) Uani 1 1 d . U . . . P4 P 0.9138(4) 0.6736(5) 0.2300(3) 0.0426(16) Uani 1 1 d . U . . . P5 P 0.7680(4) 0.5017(4) 0.3388(3) 0.0400(16) Uani 1 1 d . U . . . P6 P 0.4677(4) 0.7514(4) 0.2005(3) 0.0407(16) Uani 1 1 d . U . . . P3 P 0.7000(4) 0.6151(4) 0.1171(3) 0.0399(16) Uani 1 1 d . U . . . P7 P 0.5592(4) 0.9187(4) 0.2803(3) 0.0369(15) Uani 1 1 d . U . . . O1 O 0.14545(16) 0.25854(16) 0.34204(11) 0.044(3) Uani 0.425(10) 1 d DG U P A 1 O2 O 0.19687(17) 0.12290(17) 0.30542(13) 0.043(3) Uani 0.425(10) 1 d DG U P A 1 O3 O 0.09897(17) 0.22217(17) 0.23822(12) 0.043(3) Uani 0.425(10) 1 d DG U P A 1 O4 O 0.25396(15) 0.26548(15) 0.24130(10) 0.045(3) Uani 0.425(10) 1 d DG U P A 1 O1' O 0.09085(17) 0.17413(18) 0.32100(13) 0.039(3) Uani 0.575(10) 1 d DG U P A 2 O2' O 0.20044(17) 0.17230(17) 0.22265(12) 0.042(3) Uani 0.575(10) 1 d DG U P A 2 O3' O 0.24713(16) 0.20723(15) 0.32633(11) 0.044(3) Uani 0.575(10) 1 d DG U P A 2 O4' O 0.15830(15) 0.31253(15) 0.25616(11) 0.043(3) Uani 0.575(10) 1 d DG U P A 2 O5 O 0.19391(16) 0.36679(16) 0.38662(11) 0.053(3) Uani 1 1 d G U . . . O6 O 0.27207(19) 0.15261(18) 0.43799(13) 0.058(3) Uani 1 1 d G U . . . O7 O 0.29906(18) 0.03191(18) 0.30230(16) 0.048(3) Uani 1 1 d G U . . . O8 O 0.1574(2) 0.0650(2) 0.16938(15) 0.051(3) Uani 1 1 d G U . . . O9 O 0.08396(19) 0.28204(19) 0.13174(14) 0.052(3) Uani 1 1 d G U . . . O10 O 0.04809(17) 0.41103(17) 0.25794(15) 0.051(3) Uani 1 1 d G U . . . O11 O 0.20583(14) 0.44912(14) 0.26372(12) 0.053(3) Uani 1 1 d G U . . . O12 O 0.33986(15) 0.29222(15) 0.36851(10) 0.056(3) Uani 1 1 d G U . . . O13 O 0.38541(16) 0.15249(16) 0.32995(14) 0.052(3) Uani 1 1 d G U . . . O14 O 0.31551(18) 0.10075(18) 0.17728(15) 0.050(3) Uani 1 1 d G U . . . O15 O 0.22488(19) 0.20808(19) 0.10922(13) 0.053(3) Uani 1 1 d G U . . . O16 O 0.15819(17) 0.41281(16) 0.15966(13) 0.050(3) Uani 1 1 d G U . . . O17 O 0.34823(13) 0.36688(13) 0.24883(10) 0.054(3) Uani 1 1 d G U . . . O18 O 0.39217(15) 0.22602(15) 0.21267(12) 0.052(3) Uani 1 1 d G U . . . O19 O 0.30269(16) 0.33248(16) 0.13619(11) 0.053(3) Uani 1 1 d G U . . . O20 O 0.03236(18) 0.33194(19) 0.38021(15) 0.046(3) Uani 1 1 d G U . . . O21 O 0.12359(19) 0.2269(2) 0.44762(12) 0.052(3) Uani 1 1 d G U . . . O22 O 0.1872(2) 0.03345(19) 0.40018(15) 0.053(3) Uani 1 1 d G U . . . O23 O 0.1402(2) -0.0043(2) 0.29691(16) 0.049(3) Uani 1 1 d G U . . . O24 O 0.0125(2) 0.1423(2) 0.19710(15) 0.052(3) Uani 1 1 d G U . . . O25 O -0.03485(19) 0.28198(19) 0.23434(16) 0.049(3) Uani 1 1 d G U . . . O26 O 0.0439(2) 0.1013(2) 0.42525(14) 0.050(3) Uani 1 1 d G U . . . O27 O -0.0076(2) 0.0628(2) 0.31735(15) 0.048(3) Uani 1 1 d G U . . . O28 O -0.0547(2) 0.2047(2) 0.35262(16) 0.048(3) Uani 1 1 d G U . . . O29 O 0.08894(17) 0.50425(17) 0.35114(16) 0.072(5) Uani 1 1 d G U . . . O30 O 0.2647(2) 0.2898(2) 0.49560(12) 0.051(4) Uani 1 1 d G U . . . O31 O 0.3519(2) 0.0009(2) 0.42337(18) 0.064(5) Uani 1 1 d G U . . . O32 O 0.2638(2) -0.0688(2) 0.21686(19) 0.059(5) Uani 1 1 d G U . . . O33 O 0.0786(2) 0.1482(2) 0.06688(16) 0.040(4) Uani 1 1 d G U . . . O34 O -0.0109(2) 0.42797(19) 0.14015(18) 0.054(5) Uani 1 1 d G U . . . O35 O 0.30380(15) 0.50258(15) 0.14779(11) 0.070(5) Uani 1 1 d G U . . . O36 O 0.49167(15) 0.28778(15) 0.29304(13) 0.060(5) Uani 1 1 d G U . . . O37 O 0.4004(2) 0.21993(19) 0.08101(14) 0.054(5) Uani 1 1 d G U . . . O38 O -0.0512(2) 0.2232(2) 0.48255(16) 0.052(5) Uani 1 1 d G U . . . O39 O 0.0428(2) -0.0662(2) 0.41165(17) 0.050(4) Uani 1 1 d G U . . . O40 O -0.1420(2) 0.1468(2) 0.26929(18) 0.054(5) Uani 1 1 d G U . . . O41 O 0.7008(2) 0.8250(2) 0.17124(16) 0.050(3) Uani 1 1 d G U . . . O42 O 0.8350(3) 0.8951(3) 0.10755(18) 0.068(4) Uani 1 1 d DG U . . . O43 O 0.6857(2) 0.9152(2) 0.06720(18) 0.059(4) Uani 1 1 d DG U . . . O44 O 0.70086(18) 0.62713(18) 0.18629(14) 0.045(3) Uani 1 1 d G U . . . O45 O 0.7796(2) 0.5648(2) 0.09599(16) 0.051(3) Uani 1 1 d DG U . . . O46 O 0.61800(18) 0.56904(18) 0.10480(12) 0.056(3) Uani 1 1 d DG U . . . O47 O 0.8327(2) 0.7211(2) 0.23990(17) 0.053(3) Uani 1 1 d G U . . . O48 O 0.9556(2) 0.7050(2) 0.1592(2) 0.064(4) Uani 1 1 d DG U . . . O49 O 0.9786(2) 0.6862(3) 0.2754(2) 0.064(4) Uani 1 1 d DG U . . . O50 O 0.71817(19) 0.57947(19) 0.32697(15) 0.043(3) Uani 1 1 d G U . . . O51 O 0.7611(2) 0.4539(2) 0.41060(18) 0.055(4) Uani 1 1 d DG U . . . O52 O 0.72744(18) 0.43577(18) 0.30556(16) 0.050(3) Uani 1 1 d DG U . . . O53 O 0.54065(17) 0.71188(17) 0.23184(13) 0.045(3) Uani 1 1 d G U . . . O54 O 0.46672(18) 0.72544(17) 0.13185(14) 0.051(3) Uani 1 1 d DG U . . . O55 O 0.38191(17) 0.72688(16) 0.24430(15) 0.058(4) Uani 1 1 d DG U . . . O56 O 0.6121(2) 0.8457(2) 0.29215(17) 0.044(3) Uani 1 1 d G U . . . O57 O 0.5308(2) 0.9579(2) 0.3416(2) 0.047(3) Uani 1 1 d DG U . . . O58 O 0.6084(2) 0.9890(2) 0.2288(2) 0.050(3) Uani 1 1 d DG U . . . O59 O 0.7400(2) 0.7513(2) 0.36296(17) 0.049(4) Uani 1 1 d G U . . . H59A H 0.714775 0.729995 0.400648 0.058 Uiso 1 1 d R U . . . H59B H 0.791361 0.734987 0.354237 0.058 Uiso 1 1 d R U . . . O60 O 0.57162(19) 0.66642(19) 0.36990(14) 0.058(5) Uani 1 1 d G U . . . H60A H 0.526572 0.647245 0.357956 0.087 Uiso 1 1 d R U . . . H60C H 0.558569 0.709359 0.387586 0.087 Uiso 1 1 d R U . . . C1 C 0.7739(2) 0.7678(2) 0.06236(16) 0.055(4) Uani 1 1 d DG U . . . H1A H 0.796792 0.792033 0.018672 0.066 Uiso 1 1 calc R U . . . H1B H 0.817571 0.733580 0.082069 0.066 Uiso 1 1 calc R U . . . C2 C 0.6980(2) 0.7115(2) 0.05996(15) 0.054(4) Uani 1 1 d DG U . . . H2A H 0.699241 0.699287 0.016987 0.065 Uiso 1 1 calc R U . . . H2B H 0.645978 0.740691 0.069337 0.065 Uiso 1 1 calc R U . . . C3 C 0.8561(3) 0.9636(3) 0.1343(2) 0.083(5) Uani 1 1 d DG U . . . H3 H 0.822129 1.010715 0.115977 0.100 Uiso 1 1 calc R U . . . C4 C 0.9487(3) 0.9890(3) 0.1139(2) 0.137(11) Uani 1 1 d DG U . . . H4A H 0.961672 1.035833 0.132721 0.206 Uiso 1 1 calc R U . . . H4B H 0.984266 0.942923 0.128332 0.206 Uiso 1 1 calc R U . . . H4C H 0.958398 1.004290 0.067859 0.206 Uiso 1 1 calc R U . . . C5 C 0.8332(3) 0.9491(3) 0.2065(2) 0.100(8) Uani 1 1 d DG U . . . H5A H 0.848755 0.997437 0.222472 0.150 Uiso 1 1 calc R U . . . H5B H 0.773375 0.939430 0.216586 0.150 Uiso 1 1 calc R U . . . H5C H 0.862830 0.901238 0.226264 0.150 Uiso 1 1 calc R U . . . C6 C 0.7004(3) 0.9427(3) -0.00306(19) 0.063(5) Uani 1 1 d DG U . . . H6 H 0.720000 0.895653 -0.023473 0.075 Uiso 1 1 calc R U . . . C7 C 0.7676(3) 1.0122(3) -0.0180(2) 0.091(8) Uani 1 1 d DG U . . . H7A H 0.778044 1.030971 -0.063748 0.137 Uiso 1 1 calc R U . . . H7B H 0.747855 1.058070 0.002033 0.137 Uiso 1 1 calc R U . . . H7C H 0.818901 0.991067 -0.001738 0.137 Uiso 1 1 calc R U . . . C8 C 0.6153(3) 0.9735(3) -0.0249(2) 0.100(9) Uani 1 1 d DG U . . . H8A H 0.621864 0.992199 -0.070685 0.150 Uiso 1 1 calc R U . . . H8B H 0.574642 0.928641 -0.013408 0.150 Uiso 1 1 calc R U . . . H8C H 0.596140 1.019006 -0.004156 0.150 Uiso 1 1 calc R U . . . C9 C 0.8050(13) 0.5421(13) 0.0294(13) 0.067(5) Uani 1 1 d D U . . . H9 H 0.768147 0.568296 -0.002261 0.081 Uiso 1 1 calc R U . . . C10 C 0.8967(13) 0.5733(18) 0.0114(12) 0.098(9) Uani 1 1 d D U . . . H10A H 0.897924 0.633283 0.003706 0.147 Uiso 1 1 calc R U . . . H10B H 0.929172 0.551924 0.046112 0.147 Uiso 1 1 calc R U . . . H10C H 0.920397 0.554106 -0.026741 0.147 Uiso 1 1 calc R U . . . C11 C 0.7975(19) 0.4463(13) 0.0426(14) 0.104(9) Uani 1 1 d D U . . . H11A H 0.739088 0.430117 0.053617 0.156 Uiso 1 1 calc R U . . . H11B H 0.819916 0.425535 0.004838 0.156 Uiso 1 1 calc R U . . . H11C H 0.828691 0.423354 0.077691 0.156 Uiso 1 1 calc R U . . . C12 C 0.5890(12) 0.4848(17) 0.1426(10) 0.056(5) Uani 1 1 d D U . . . H12 H 0.637381 0.451555 0.156658 0.067 Uiso 1 1 calc R U . . . C13 C 0.5288(15) 0.4998(16) 0.2009(9) 0.079(6) Uani 1 1 d D U . . . H13A H 0.529264 0.558088 0.203156 0.118 Uiso 1 1 calc R U . . . H13B H 0.546907 0.467689 0.239504 0.118 Uiso 1 1 calc R U . . . H13C H 0.472566 0.482833 0.196614 0.118 Uiso 1 1 calc DR U . . . C14 C 0.5436(19) 0.4422(16) 0.0976(12) 0.101(9) Uani 1 1 d D U . . . H14A H 0.523861 0.387875 0.119867 0.151 Uiso 1 1 calc R U . . . H14B H 0.496422 0.475484 0.084217 0.151 Uiso 1 1 calc R U . . . H14C H 0.582132 0.436569 0.060519 0.151 Uiso 1 1 calc R U . . . C15 C 0.8976(17) 0.5615(16) 0.2394(10) 0.053(4) Uani 1 1 d D U . . . H15A H 0.850095 0.551311 0.217175 0.064 Uiso 1 1 calc R U . . . H15B H 0.947338 0.537426 0.219210 0.064 Uiso 1 1 calc R U . . . C16 C 0.8808(16) 0.5172(17) 0.3101(10) 0.055(4) Uani 1 1 d D U . . . H16A H 0.905955 0.550045 0.336778 0.066 Uiso 1 1 calc DR U . . . H16B H 0.908210 0.463208 0.315011 0.066 Uiso 1 1 calc R U . . . C17 C 1.0443(17) 0.7203(14) 0.1364(10) 0.072(5) Uani 1 1 d D U . . . H17 H 1.070438 0.744286 0.168427 0.086 Uiso 1 1 calc R U . . . C18 C 1.0876(15) 0.6379(16) 0.1298(15) 0.101(8) Uani 1 1 d D U . . . H18A H 1.146417 0.648135 0.114772 0.152 Uiso 1 1 calc R U . . . H18B H 1.082225 0.600973 0.170956 0.152 Uiso 1 1 calc R U . . . H18C H 1.061560 0.612559 0.099647 0.152 Uiso 1 1 calc R U . . . C19 C 1.0524(18) 0.7840(19) 0.0732(15) 0.134(11) Uani 1 1 d D U . . . H19A H 1.111086 0.794403 0.057831 0.200 Uiso 1 1 calc R U . . . H19B H 1.025181 0.762329 0.041721 0.200 Uiso 1 1 calc R U . . . H19C H 1.025962 0.835315 0.080346 0.200 Uiso 1 1 calc R U . . . C20 C 0.9760(14) 0.7493(17) 0.3174(10) 0.066(5) Uani 1 1 d D U . . . H20 H 0.924380 0.782342 0.313534 0.080 Uiso 1 1 calc R U . . . C21 C 1.0534(19) 0.8060(16) 0.2934(14) 0.110(9) Uani 1 1 d D U . . . H21A H 1.054387 0.848166 0.319367 0.166 Uiso 1 1 calc R U . . . H21B H 1.103792 0.773255 0.296321 0.166 Uiso 1 1 calc R U . . . H21C H 1.050557 0.832256 0.249393 0.166 Uiso 1 1 calc R U . . . C22 C 0.976(2) 0.7033(18) 0.3864(8) 0.108(9) Uani 1 1 d D U . . . H22A H 1.017785 0.728394 0.406487 0.162 Uiso 1 1 calc R U . . . H22B H 0.990220 0.645704 0.386562 0.162 Uiso 1 1 calc DR U . . . H22C H 0.921576 0.706778 0.409698 0.162 Uiso 1 1 calc R U . . . C23 C 0.7902(15) 0.4960(13) 0.4647(12) 0.064(5) Uani 1 1 d D U . . . H23 H 0.840500 0.469956 0.482146 0.076 Uiso 1 1 calc R U . . . C24 C 0.804(2) 0.5881(12) 0.4330(13) 0.109(7) Uani 1 1 d D U . . . H24A H 0.863907 0.599289 0.422369 0.164 Uiso 1 1 calc DR U . . . H24B H 0.781161 0.623016 0.462261 0.164 Uiso 1 1 calc R U . . . H24C H 0.777022 0.599808 0.394483 0.164 Uiso 1 1 calc R U . . . C25 C 0.7121(18) 0.4885(18) 0.5152(10) 0.099(9) Uani 1 1 d D U . . . H25A H 0.702881 0.430914 0.535240 0.149 Uiso 1 1 calc R U . . . H25B H 0.721142 0.520750 0.547257 0.149 Uiso 1 1 calc R U . . . H25C H 0.663498 0.509165 0.494639 0.149 Uiso 1 1 calc R U . . . C26 C 0.7607(15) 0.3501(13) 0.3030(9) 0.052(5) Uani 1 1 d D U . . . H26 H 0.819879 0.347292 0.311655 0.062 Uiso 1 1 calc R U . . . C27 C 0.7546(19) 0.3334(14) 0.2356(9) 0.086(9) Uani 1 1 d D U . . . H27A H 0.775691 0.278563 0.232647 0.129 Uiso 1 1 calc R U . . . H27B H 0.696676 0.336733 0.227110 0.129 Uiso 1 1 calc R U . . . H27C H 0.787682 0.374341 0.204533 0.129 Uiso 1 1 calc R U . . . C28 C 0.7070(18) 0.2885(11) 0.3552(11) 0.079(8) Uani 1 1 d D U . . . H28A H 0.726807 0.232681 0.354835 0.118 Uiso 1 1 calc R U . . . H28B H 0.711529 0.302377 0.396581 0.118 Uiso 1 1 calc R U . . . H28C H 0.648954 0.292037 0.346906 0.118 Uiso 1 1 calc R U . . . C29 C 0.4692(16) 0.8645(15) 0.1919(10) 0.048(4) Uani 1 1 d D U . . . H29A H 0.520676 0.885766 0.165183 0.058 Uiso 1 1 calc R U . . . H29B H 0.422041 0.886704 0.169195 0.058 Uiso 1 1 calc R U . . . C30 C 0.4644(15) 0.8984(16) 0.2546(10) 0.046(4) Uani 1 1 d D U . . . H30A H 0.432929 0.858343 0.288364 0.055 Uiso 1 1 calc R U . . . H30B H 0.432177 0.949694 0.249303 0.055 Uiso 1 1 calc R U . . . C31 C 0.4214(11) 0.7425(17) 0.0828(12) 0.066(5) Uani 1 1 d D U . . . H31 H 0.445747 0.796016 0.059335 0.079 Uiso 1 1 calc R U . . . C32 C 0.4344(17) 0.687(2) 0.0318(11) 0.099(8) Uani 1 1 d D U . . . H32A H 0.398290 0.705411 -0.001078 0.148 Uiso 1 1 calc R U . . . H32B H 0.492317 0.690725 0.012914 0.148 Uiso 1 1 calc R U . . . H32C H 0.420785 0.630012 0.051531 0.148 Uiso 1 1 calc R U . . . C33 C 0.3284(11) 0.7634(15) 0.0959(11) 0.099(7) Uani 1 1 d D U . . . H33A H 0.317319 0.816692 0.070299 0.149 Uiso 1 1 calc R U . . . H33B H 0.314905 0.765750 0.140682 0.149 Uiso 1 1 calc DR U . . . H33C H 0.294296 0.721143 0.085053 0.149 Uiso 1 1 calc DR U . . . C34 C 0.3337(16) 0.6393(15) 0.2593(9) 0.065(5) Uani 1 1 d D U . . . H34 H 0.272047 0.642873 0.267227 0.078 Uiso 1 1 calc R U . . . C35 C 0.3663(19) 0.6026(9) 0.1996(9) 0.101(6) Uani 1 1 d D U . . . H35A H 0.341409 0.631894 0.162973 0.151 Uiso 1 1 calc DR U . . . H35B H 0.351134 0.544384 0.206895 0.151 Uiso 1 1 calc DR U . . . H35C H 0.426686 0.608505 0.191694 0.151 Uiso 1 1 calc DR U . . . C36 C 0.3758(18) 0.5913(10) 0.3165(9) 0.084(7) Uani 1 1 d D U . . . H36A H 0.356568 0.612994 0.354553 0.126 Uiso 1 1 calc R U . . . H36B H 0.361166 0.533039 0.323196 0.126 Uiso 1 1 calc R U . . . H36C H 0.436098 0.597874 0.307525 0.126 Uiso 1 1 calc R U . . . C37 C 0.5927(16) 0.9647(11) 0.3888(9) 0.054(5) Uani 1 1 d D U . . . H37 H 0.651117 0.962153 0.368920 0.065 Uiso 1 1 calc R U . . . C38 C 0.5715(16) 0.8896(12) 0.4432(9) 0.065(7) Uani 1 1 d D U . . . H38A H 0.608585 0.889418 0.475698 0.097 Uiso 1 1 calc R U . . . H38B H 0.513999 0.893379 0.461729 0.097 Uiso 1 1 calc R U . . . H38C H 0.578589 0.838946 0.426364 0.097 Uiso 1 1 calc R U . . . C39 C 0.5758(18) 1.0484(12) 0.4108(11) 0.074(8) Uani 1 1 d D U . . . H39A H 0.614038 1.055355 0.441092 0.111 Uiso 1 1 calc R U . . . H39B H 0.584034 1.093156 0.374226 0.111 Uiso 1 1 calc R U . . . H39C H 0.518643 1.048964 0.430834 0.111 Uiso 1 1 calc R U . . . C40 C 0.5744(13) 1.0734(13) 0.2097(8) 0.047(5) Uani 1 1 d D U . . . H40 H 0.520184 1.078702 0.235540 0.057 Uiso 1 1 calc R U . . . C41 C 0.6383(17) 1.1360(11) 0.2222(12) 0.068(7) Uani 1 1 d D U . . . H41A H 0.617810 1.191780 0.210146 0.102 Uiso 1 1 calc R U . . . H41B H 0.645757 1.125378 0.267040 0.102 Uiso 1 1 calc R U . . . H41C H 0.691409 1.130126 0.197129 0.102 Uiso 1 1 calc R U . . . C42 C 0.5618(16) 1.0873(15) 0.1386(9) 0.070(8) Uani 1 1 d D U . . . H42A H 0.539604 1.142245 0.125757 0.105 Uiso 1 1 calc R U . . . H42B H 0.615045 1.082307 0.113468 0.105 Uiso 1 1 calc R U . . . H42C H 0.522822 1.046254 0.131796 0.105 Uiso 1 1 calc R U . . . 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 W1 0.0477(7) 0.0321(6) 0.0356(6) -0.0156(5) -0.0101(5) 0.0005(5) W2 0.0606(8) 0.0488(7) 0.0240(5) -0.0133(5) -0.0115(5) -0.0117(6) W3 0.0455(7) 0.0466(7) 0.0284(5) -0.0048(5) -0.0079(5) 0.0107(5) W4 0.0382(6) 0.0348(6) 0.0368(6) -0.0156(5) -0.0051(5) 0.0063(5) W5 0.0514(7) 0.0401(6) 0.0194(5) -0.0116(4) -0.0050(5) -0.0048(5) W6 0.0455(7) 0.0377(6) 0.0258(5) -0.0028(5) -0.0029(5) 0.0098(5) W7 0.0394(6) 0.0372(6) 0.0355(6) -0.0023(5) -0.0011(5) -0.0143(5) W8 0.0293(6) 0.0556(8) 0.0446(6) -0.0144(5) -0.0019(5) -0.0121(5) W9 0.0301(6) 0.0555(7) 0.0253(5) -0.0095(5) 0.0045(4) -0.0030(5) W10 0.0347(6) 0.0456(7) 0.0203(5) -0.0100(4) 0.0031(4) -0.0028(5) W11 0.0366(6) 0.0312(6) 0.0285(5) -0.0019(4) -0.0012(5) -0.0058(5) W12 0.0266(6) 0.0384(6) 0.0382(6) -0.0135(5) 0.0015(5) -0.0077(5) Pr1 0.0287(7) 0.0319(7) 0.0222(7) -0.0092(6) -0.0022(6) 0.0001(6) P1 0.021(2) 0.016(2) 0.0121(19) -0.0096(17) -0.0053(17) -0.0036(18) P2 0.059(4) 0.046(4) 0.032(3) -0.004(3) 0.003(3) -0.005(3) P4 0.039(4) 0.048(4) 0.042(3) -0.014(3) -0.002(3) -0.002(3) P5 0.048(4) 0.035(4) 0.040(3) -0.012(3) -0.007(3) 0.003(3) P6 0.038(4) 0.042(4) 0.046(4) -0.019(3) -0.002(3) -0.006(3) P3 0.048(4) 0.045(4) 0.029(3) -0.015(3) -0.003(3) 0.008(3) P7 0.038(3) 0.042(4) 0.035(3) -0.018(3) -0.005(3) 0.007(3) O1 0.051(5) 0.046(5) 0.036(5) -0.009(5) -0.002(5) -0.005(5) O2 0.049(5) 0.046(5) 0.035(5) -0.009(5) -0.006(5) -0.002(5) O3 0.050(5) 0.044(5) 0.036(5) -0.012(5) -0.004(5) -0.006(5) O4 0.048(5) 0.048(5) 0.037(4) -0.010(4) 0.000(4) -0.004(4) O1' 0.046(5) 0.042(5) 0.031(5) -0.014(4) 0.000(5) 0.000(5) O2' 0.046(5) 0.046(5) 0.034(5) -0.009(5) -0.001(5) -0.003(5) O3' 0.051(5) 0.046(5) 0.035(5) -0.012(5) -0.002(5) -0.007(5) O4' 0.048(5) 0.047(5) 0.034(5) -0.008(5) -0.003(5) -0.003(5) O5 0.060(5) 0.049(5) 0.048(5) -0.007(5) -0.003(5) -0.012(5) O6 0.068(5) 0.056(5) 0.045(5) -0.005(5) 0.007(5) -0.010(5) O7 0.047(5) 0.057(5) 0.037(5) -0.011(5) 0.003(5) -0.003(5) O8 0.057(5) 0.047(5) 0.047(5) -0.005(5) -0.003(5) -0.005(5) O9 0.060(5) 0.048(5) 0.042(5) -0.004(5) 0.012(5) -0.004(5) O10 0.056(5) 0.056(5) 0.041(5) -0.012(5) 0.000(5) -0.006(5) O11 0.054(5) 0.060(5) 0.045(5) -0.013(5) -0.001(5) 0.000(5) O12 0.066(5) 0.052(5) 0.049(5) -0.012(5) 0.007(5) -0.003(5) O13 0.062(5) 0.052(5) 0.044(5) -0.022(5) 0.002(5) -0.005(5) O14 0.051(5) 0.051(5) 0.046(5) -0.002(5) -0.011(5) -0.008(5) O15 0.056(5) 0.053(5) 0.047(5) 0.001(5) -0.006(5) -0.002(5) O16 0.052(5) 0.059(5) 0.039(5) -0.011(5) -0.001(5) -0.006(5) O17 0.059(5) 0.057(5) 0.048(5) -0.018(5) -0.004(5) -0.002(5) O18 0.055(5) 0.057(5) 0.047(5) -0.013(5) -0.007(5) -0.002(5) O19 0.056(5) 0.058(5) 0.044(5) -0.007(5) -0.007(5) -0.002(5) O20 0.049(5) 0.045(5) 0.046(5) -0.009(5) -0.010(5) -0.006(5) O21 0.056(5) 0.048(5) 0.047(5) 0.002(5) -0.006(5) -0.008(5) O22 0.058(5) 0.059(5) 0.040(5) -0.010(5) -0.001(5) -0.003(5) O23 0.051(5) 0.054(5) 0.043(5) -0.016(5) -0.003(5) 0.001(5) O24 0.062(5) 0.049(5) 0.044(5) -0.015(5) 0.007(5) 0.001(5) O25 0.061(5) 0.044(5) 0.042(5) -0.020(5) 0.011(5) 0.000(5) O26 0.059(5) 0.052(5) 0.039(5) -0.009(5) -0.004(5) 0.001(5) O27 0.056(5) 0.049(5) 0.042(5) -0.018(5) -0.004(5) 0.005(5) O28 0.058(5) 0.045(5) 0.044(5) -0.015(5) -0.004(5) 0.001(5) O29 0.071(11) 0.055(11) 0.089(11) -0.025(10) 0.015(10) 0.012(9) O30 0.083(11) 0.045(10) 0.031(8) -0.026(7) -0.004(8) -0.010(9) O31 0.064(10) 0.086(12) 0.028(8) 0.016(9) 0.007(8) 0.016(9) O32 0.052(10) 0.046(10) 0.082(11) -0.018(9) -0.013(9) 0.016(8) O33 0.056(9) 0.044(9) 0.025(8) -0.012(7) -0.011(7) -0.002(8) O34 0.052(10) 0.071(11) 0.030(8) 0.011(8) -0.002(8) 0.003(9) O35 0.088(11) 0.051(10) 0.073(10) -0.014(9) -0.013(9) -0.033(9) O36 0.047(9) 0.086(11) 0.055(9) -0.020(9) -0.026(8) -0.007(9) O37 0.047(9) 0.064(11) 0.045(9) -0.006(8) 0.016(8) 0.016(8) O38 0.066(10) 0.059(10) 0.027(8) -0.015(8) 0.020(8) 0.027(9) O39 0.074(10) 0.036(9) 0.048(9) -0.022(8) -0.013(8) -0.012(8) O40 0.053(10) 0.038(9) 0.073(10) -0.019(8) 0.001(9) 0.018(8) O41 0.054(5) 0.049(5) 0.045(5) -0.003(5) 0.000(5) 0.000(5) O42 0.074(7) 0.065(7) 0.059(6) -0.009(6) 0.009(6) -0.009(6) O43 0.069(7) 0.058(7) 0.044(6) -0.001(6) -0.003(6) 0.003(6) O44 0.054(5) 0.049(5) 0.036(5) -0.017(4) -0.006(5) 0.001(5) O45 0.056(6) 0.058(7) 0.040(6) -0.018(6) -0.005(6) 0.010(6) O46 0.062(7) 0.066(7) 0.047(6) -0.021(6) -0.013(6) 0.001(6) O47 0.052(5) 0.052(5) 0.055(5) -0.013(5) -0.001(5) 0.000(5) O48 0.056(7) 0.071(7) 0.058(6) -0.009(6) 0.010(6) -0.004(6) O49 0.061(7) 0.060(7) 0.072(7) -0.019(6) -0.004(6) -0.003(6) O50 0.049(6) 0.043(6) 0.043(5) -0.019(5) -0.012(5) 0.002(5) O51 0.064(7) 0.051(7) 0.051(7) -0.011(6) -0.010(6) 0.010(6) O52 0.055(7) 0.050(7) 0.050(6) -0.020(6) -0.012(6) 0.008(6) O53 0.043(5) 0.050(6) 0.047(5) -0.018(5) -0.007(5) -0.001(5) O54 0.048(7) 0.063(7) 0.049(6) -0.027(6) -0.008(6) -0.001(6) O55 0.047(7) 0.062(7) 0.067(7) -0.026(6) 0.003(6) -0.010(6) O56 0.046(6) 0.044(6) 0.044(5) -0.016(5) -0.008(5) 0.004(5) O57 0.050(7) 0.050(7) 0.049(7) -0.023(6) -0.015(6) 0.013(6) O58 0.053(6) 0.050(6) 0.048(6) -0.012(6) -0.009(6) 0.006(6) O59 0.061(9) 0.049(9) 0.044(8) -0.031(7) -0.004(8) 0.006(8) O60 0.049(9) 0.073(11) 0.047(9) -0.006(9) 0.008(8) 0.003(9) C1 0.063(7) 0.055(7) 0.044(6) -0.006(6) -0.001(6) 0.000(6) C2 0.062(7) 0.059(7) 0.042(6) -0.009(6) -0.009(6) 0.000(6) C3 0.086(9) 0.085(9) 0.075(9) -0.008(9) -0.003(9) -0.016(9) C4 0.13(2) 0.14(2) 0.13(2) -0.013(19) 0.022(19) -0.057(19) C5 0.094(14) 0.101(14) 0.105(14) -0.020(13) -0.007(13) -0.023(13) C6 0.074(9) 0.067(9) 0.046(8) -0.006(8) -0.008(8) 0.005(8) C7 0.104(15) 0.084(15) 0.075(14) 0.006(13) 0.002(13) -0.007(14) C8 0.115(19) 0.12(2) 0.062(16) -0.021(16) -0.013(16) 0.013(18) C9 0.072(9) 0.076(9) 0.052(9) -0.011(9) -0.005(9) 0.016(9) C10 0.094(18) 0.11(2) 0.084(17) -0.013(17) -0.010(16) 0.020(17) C11 0.112(16) 0.099(16) 0.102(16) -0.035(15) 0.014(15) 0.008(15) C12 0.057(9) 0.061(9) 0.055(9) -0.024(8) -0.009(8) -0.004(8) C13 0.081(12) 0.074(12) 0.080(11) -0.015(11) -0.005(11) -0.009(11) C14 0.095(18) 0.100(19) 0.111(19) -0.035(17) -0.001(17) -0.018(17) C15 0.053(6) 0.055(6) 0.051(6) -0.014(6) -0.001(6) 0.005(6) C16 0.059(7) 0.050(7) 0.058(6) -0.014(6) -0.006(6) 0.004(6) C17 0.064(8) 0.076(9) 0.073(8) -0.010(8) 0.000(8) -0.010(8) C18 0.083(14) 0.105(15) 0.109(15) -0.015(14) 0.011(14) -0.009(14) C19 0.13(2) 0.12(2) 0.13(2) 0.029(19) 0.016(19) 0.005(19) C20 0.058(9) 0.074(9) 0.070(9) -0.024(9) -0.001(9) 0.000(9) C21 0.114(16) 0.097(16) 0.126(16) -0.035(15) -0.012(16) -0.018(15) C22 0.117(16) 0.093(16) 0.116(16) -0.032(15) -0.006(16) 0.013(15) C23 0.068(9) 0.069(8) 0.061(9) -0.026(8) -0.010(9) -0.002(9) C24 0.124(14) 0.077(10) 0.119(14) -0.005(12) -0.001(13) 0.000(13) C25 0.112(17) 0.098(17) 0.083(16) -0.007(15) -0.006(16) -0.026(16) C26 0.056(9) 0.053(9) 0.053(9) -0.017(8) -0.017(8) 0.018(8) C27 0.107(18) 0.071(17) 0.084(17) -0.025(15) -0.010(16) 0.027(16) C28 0.089(15) 0.059(14) 0.092(15) -0.023(13) -0.015(14) 0.003(13) C29 0.046(6) 0.051(6) 0.051(6) -0.017(6) -0.009(6) 0.002(6) C30 0.044(7) 0.050(7) 0.048(7) -0.019(6) -0.009(6) 0.006(6) C31 0.064(9) 0.074(9) 0.063(9) -0.021(9) -0.005(9) -0.007(9) C32 0.106(16) 0.106(16) 0.095(15) -0.047(14) -0.011(15) -0.002(15) C33 0.099(13) 0.101(13) 0.099(13) -0.020(13) -0.015(13) 0.001(13) C34 0.068(8) 0.067(8) 0.062(8) -0.020(8) 0.002(8) -0.003(8) C35 0.102(11) 0.100(11) 0.097(10) -0.015(10) -0.003(10) -0.001(10) C36 0.083(13) 0.080(13) 0.083(13) -0.009(13) 0.013(13) -0.018(12) C37 0.060(9) 0.055(9) 0.054(9) -0.020(8) -0.016(8) 0.014(8) C38 0.083(14) 0.058(14) 0.057(13) -0.025(12) -0.004(12) 0.029(12) C39 0.095(17) 0.078(17) 0.064(15) -0.048(14) -0.021(14) 0.012(15) C40 0.045(9) 0.051(9) 0.049(8) -0.018(8) -0.007(8) 0.020(8) C41 0.077(14) 0.068(14) 0.062(13) -0.009(12) -0.024(13) -0.019(13) C42 0.056(14) 0.082(16) 0.070(15) -0.006(14) -0.013(13) 0.014(13) 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' W W -0.8490 6.8722 '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 O29 W1 O11 99.51(13) . . ? O29 W1 O5 103.19(15) . . ? O11 W1 O5 89.77(11) . . ? O29 W1 O10 103.24(14) . . ? O11 W1 O10 85.53(12) . . ? O5 W1 O10 153.57(16) . . ? O29 W1 O20 105.20(13) . . ? O11 W1 O20 155.14(16) . . ? O5 W1 O20 87.31(12) . . ? O10 W1 O20 86.18(11) . . ? O29 W1 O4' 158.46(16) . . ? O11 W1 O4' 64.49(8) . . ? O5 W1 O4' 91.58(10) . . ? O10 W1 O4' 62.97(8) . . ? O20 W1 O4' 90.90(10) . . ? O29 W1 O1 157.84(16) . . ? O11 W1 O1 96.67(11) . . ? O5 W1 O1 61.71(8) . . ? O10 W1 O1 92.99(11) . . ? O20 W1 O1 60.42(7) . . ? O30 W2 O6 100.67(14) . . ? O30 W2 O21 105.17(14) . . ? O6 W2 O21 89.45(12) . . ? O30 W2 O5 101.12(15) . . ? O6 W2 O5 158.17(16) . . ? O21 W2 O5 86.21(13) . . ? O30 W2 O12 101.92(14) . . ? O6 W2 O12 87.74(13) . . ? O21 W2 O12 152.81(15) . . ? O5 W2 O12 86.43(11) . . ? O30 W2 O1 155.80(18) . . ? O6 W2 O1 97.05(12) . . ? O21 W2 O1 58.44(7) . . ? O5 W2 O1 62.61(8) . . ? O12 W2 O1 95.10(10) . . ? O30 W2 O3' 160.72(18) . . ? O6 W2 O3' 66.97(9) . . ? O21 W2 O3' 89.94(10) . . ? O5 W2 O3' 91.61(10) . . ? O12 W2 O3' 64.16(8) . . ? O31 W3 O7 104.39(18) . . ? O31 W3 O22 100.93(14) . . ? O7 W3 O22 87.26(13) . . ? O31 W3 O13 106.38(16) . . ? O7 W3 O13 87.37(14) . . ? O22 W3 O13 152.65(16) . . ? O31 W3 O6 99.61(15) . . ? O7 W3 O6 155.87(17) . . ? O22 W3 O6 85.73(14) . . ? O13 W3 O6 88.31(13) . . ? O31 W3 O2 155.28(18) . . ? O7 W3 O2 60.31(8) . . ? O22 W3 O2 61.39(8) . . ? O13 W3 O2 92.87(11) . . ? O6 W3 O2 96.24(12) . . ? O31 W3 O3' 162.04(19) . . ? O7 W3 O3' 90.91(11) . . ? O22 W3 O3' 88.97(11) . . ? O13 W3 O3' 64.33(8) . . ? O6 W3 O3' 65.92(9) . . ? O32 W4 O23 103.34(16) . . ? O32 W4 O8 105.74(18) . . ? O23 W4 O8 91.25(14) . . ? O32 W4 O7 100.12(16) . . ? O23 W4 O7 86.04(14) . . ? O8 W4 O7 153.91(19) . . ? O32 W4 O14 103.06(16) . . ? O23 W4 O14 153.35(19) . . ? O8 W4 O14 85.05(13) . . ? O7 W4 O14 85.86(13) . . ? O32 W4 O2' 163.74(19) . . ? O23 W4 O2' 90.76(13) . . ? O8 W4 O2' 65.32(10) . . ? O7 W4 O2' 88.76(12) . . ? O14 W4 O2' 63.73(9) . . ? O32 W4 O2 152.70(19) . . ? O23 W4 O2 62.44(9) . . ? O8 W4 O2 98.10(13) . . ? O7 W4 O2 57.84(9) . . ? O14 W4 O2 91.92(12) . . ? O33 W5 O9 103.86(17) . . ? O33 W5 O8 100.39(17) . . ? O9 W5 O8 155.57(19) . . ? O33 W5 O24 103.50(16) . . ? O9 W5 O24 88.42(15) . . ? O8 W5 O24 88.81(13) . . ? O33 W5 O15 103.26(16) . . ? O9 W5 O15 85.54(13) . . ? O8 W5 O15 86.09(15) . . ? O24 W5 O15 153.24(18) . . ? O33 W5 O3 157.6(2) . . ? O9 W5 O3 63.05(10) . . ? O8 W5 O3 94.75(12) . . ? O24 W5 O3 60.20(9) . . ? O15 W5 O3 94.06(12) . . ? O33 W5 O2' 159.3(2) . . ? O9 W5 O2' 91.15(13) . . ? O8 W5 O2' 64.63(9) . . ? O24 W5 O2' 90.94(12) . . ? O15 W5 O2' 63.20(9) . . ? O34 W6 O10 103.27(17) . . ? O34 W6 O16 101.93(14) . . ? O10 W6 O16 85.80(13) . . ? O34 W6 O9 103.06(16) . . ? O10 W6 O9 153.53(16) . . ? O16 W6 O9 86.22(13) . . ? O34 W6 O25 102.35(15) . . ? O10 W6 O25 88.53(13) . . ? O16 W6 O25 155.72(16) . . ? O9 W6 O25 88.46(13) . . ? O34 W6 O4' 160.52(18) . . ? O10 W6 O4' 64.22(9) . . ? O16 W6 O4' 63.77(8) . . ? O9 W6 O4' 89.67(11) . . ? O25 W6 O4' 92.55(11) . . ? O35 W7 O16 99.34(12) . . ? O35 W7 O11 100.32(13) . . ? O16 W7 O11 86.32(11) . . ? O35 W7 O19 102.44(12) . . ? O16 W7 O19 88.85(11) . . ? O11 W7 O19 157.21(13) . . ? O35 W7 O17 106.27(13) . . ? O16 W7 O17 154.14(13) . . ? O11 W7 O17 85.68(10) . . ? O19 W7 O17 89.09(11) . . ? O35 W7 O4 160.71(15) . . ? O16 W7 O4 94.30(10) . . ? O11 W7 O4 94.08(9) . . ? O19 W7 O4 64.08(7) . . ? O17 W7 O4 61.85(6) . . ? O35 W7 O4' 157.97(15) . . ? O16 W7 O4' 64.68(7) . . ? O11 W7 O4' 65.15(7) . . ? O19 W7 O4' 92.70(10) . . ? O17 W7 O4' 89.68(8) . . ? O36 W8 O17 103.50(13) . . ? O36 W8 O13 100.68(12) . . ? O17 W8 O13 155.81(15) . . ? O36 W8 O18 103.45(13) . . ? O17 W8 O18 88.40(11) . . ? O13 W8 O18 85.46(11) . . ? O36 W8 O12 101.22(13) . . ? O17 W8 O12 87.48(11) . . ? O13 W8 O12 88.39(10) . . ? O18 W8 O12 155.27(15) . . ? O36 W8 O3' 158.91(14) . . ? O17 W8 O3' 92.29(10) . . ? O13 W8 O3' 64.46(7) . . ? O18 W8 O3' 90.70(10) . . ? O12 W8 O3' 65.13(7) . . ? O36 W8 O4 156.99(14) . . ? O17 W8 O4 60.68(7) . . ? O13 W8 O4 96.00(10) . . ? O18 W8 O4 62.03(7) . . ? O12 W8 O4 94.95(10) . . ? O37 W9 O14 102.92(15) . . ? O37 W9 O15 103.16(15) . . ? O14 W9 O15 87.47(12) . . ? O37 W9 O18 102.65(15) . . ? O14 W9 O18 89.27(13) . . ? O15 W9 O18 154.06(16) . . ? O37 W9 O19 98.65(13) . . ? O14 W9 O19 158.32(16) . . ? O15 W9 O19 85.47(13) . . ? O18 W9 O19 88.18(12) . . ? O37 W9 O2' 161.29(16) . . ? O14 W9 O2' 64.40(8) . . ? O15 W9 O2' 64.17(8) . . ? O18 W9 O2' 91.31(10) . . ? O19 W9 O2' 94.13(11) . . ? O37 W9 O4 154.30(16) . . ? O14 W9 O4 97.57(11) . . ? O15 W9 O4 93.01(11) . . ? O18 W9 O4 61.94(8) . . ? O19 W9 O4 62.43(8) . . ? O38 W10 O20 102.23(17) . . ? O38 W10 O21 104.04(16) . . ? O20 W10 O21 86.84(14) . . ? O38 W10 O26 104.00(16) . . ? O20 W10 O26 153.67(18) . . ? O21 W10 O26 84.70(14) . . ? O38 W10 O28 102.71(16) . . ? O20 W10 O28 89.50(14) . . ? O21 W10 O28 153.18(17) . . ? O26 W10 O28 86.95(13) . . ? O38 W10 O1 156.38(19) . . ? O20 W10 O1 62.74(9) . . ? O21 W10 O1 59.30(8) . . ? O26 W10 O1 91.65(12) . . ? O28 W10 O1 95.59(12) . . ? O38 W10 O1' 161.04(19) . . ? O20 W10 O1' 91.97(12) . . ? O21 W10 O1' 89.06(12) . . ? O26 W10 O1' 63.04(9) . . ? O28 W10 O1' 64.50(9) . . ? O39 W11 O26 104.44(17) . . ? O39 W11 O22 103.91(16) . . ? O26 W11 O22 86.32(14) . . ? O39 W11 O23 101.55(18) . . ? O26 W11 O23 153.98(19) . . ? O22 W11 O23 86.31(14) . . ? O39 W11 O27 101.66(17) . . ? O26 W11 O27 90.42(15) . . ? O22 W11 O27 154.23(18) . . ? O23 W11 O27 85.50(13) . . ? O39 W11 O1' 162.0(2) . . ? O26 W11 O1' 64.35(10) . . ? O22 W11 O1' 89.79(13) . . ? O23 W11 O1' 90.70(12) . . ? O27 W11 O1' 65.93(9) . . ? O40 W12 O28 100.20(17) . . ? O40 W12 O25 102.06(17) . . ? O28 W12 O25 86.88(15) . . ? O40 W12 O24 102.82(18) . . ? O28 W12 O24 157.0(2) . . ? O25 W12 O24 87.78(13) . . ? O40 W12 O27 100.64(16) . . ? O28 W12 O27 88.60(14) . . ? O25 W12 O27 157.3(2) . . ? O24 W12 O27 87.73(15) . . ? O40 W12 O3 157.93(19) . . ? O28 W12 O3 96.15(14) . . ? O25 W12 O3 64.00(9) . . ? O24 W12 O3 61.51(9) . . ? O27 W12 O3 94.44(13) . . ? O40 W12 O1' 159.57(18) . . ? O28 W12 O1' 65.62(10) . . ? O25 W12 O1' 92.13(13) . . ? O24 W12 O1' 92.23(13) . . ? O27 W12 O1' 65.83(10) . . ? O53 Pr1 O50 112.31(13) . . ? O53 Pr1 O47 147.00(15) . . ? O50 Pr1 O47 79.71(10) . . ? O53 Pr1 O44 76.72(10) . . ? O50 Pr1 O44 75.55(10) . . ? O47 Pr1 O44 77.01(10) . . ? O53 Pr1 O41 80.57(10) . . ? O50 Pr1 O41 148.66(15) . . ? O47 Pr1 O41 75.61(9) . . ? O44 Pr1 O41 80.29(10) . . ? O53 Pr1 O56 76.13(10) . . ? O50 Pr1 O56 138.76(14) . . ? O47 Pr1 O56 115.91(13) . . ? O44 Pr1 O56 142.98(14) . . ? O41 Pr1 O56 70.82(9) . . ? O53 Pr1 O59 137.62(15) . . ? O50 Pr1 O59 77.05(9) . . ? O47 Pr1 O59 73.89(9) . . ? O44 Pr1 O59 142.91(15) . . ? O41 Pr1 O59 113.46(13) . . ? O56 Pr1 O59 72.08(9) . . ? O53 Pr1 O60 73.06(9) . . ? O50 Pr1 O60 69.37(8) . . ? O47 Pr1 O60 138.29(14) . . ? O44 Pr1 O60 119.13(13) . . ? O41 Pr1 O60 141.30(15) . . ? O56 Pr1 O60 75.63(9) . . ? O59 Pr1 O60 72.45(9) . . ? O4' P1 O2' 109.8(2) . . ? O4' P1 O1' 110.3(3) . . ? O2' P1 O1' 109.0(3) . . ? O2 P1 O3 109.9(3) . . ? O2 P1 O4 109.7(3) . . ? O3 P1 O4 109.9(2) . . ? O4' P1 O3' 109.7(3) . . ? O2' P1 O3' 109.1(3) . . ? O1' P1 O3' 109.0(2) . . ? O2 P1 O1 108.8(2) . . ? O3 P1 O1 109.3(3) . . ? O4 P1 O1 109.2(3) . . ? O41 P2 O42 113.9(5) . . ? O41 P2 O43 104.4(5) . . ? O42 P2 O43 110.7(5) . . ? O41 P2 C1 114.8(5) . . ? O42 P2 C1 104.9(4) . . ? O43 P2 C1 108.0(4) . . ? O47 P4 O49 113.9(5) . . ? O47 P4 O48 108.1(5) . . ? O49 P4 O48 107.6(4) . . ? O47 P4 C15 113.4(9) . . ? O49 P4 C15 106.7(9) . . ? O48 P4 C15 106.8(8) . . ? O50 P5 O51 115.9(5) . . ? O50 P5 O52 107.4(4) . . ? O51 P5 O52 101.1(4) . . ? O50 P5 C16 113.4(9) . . ? O51 P5 C16 107.3(7) . . ? O52 P5 C16 111.0(10) . . ? O53 P6 O55 111.2(4) . . ? O53 P6 O54 109.7(5) . . ? O55 P6 O54 111.0(4) . . ? O53 P6 C29 112.3(9) . . ? O55 P6 C29 102.2(9) . . ? O54 P6 C29 110.2(8) . . ? O44 P3 O45 110.3(4) . . ? O44 P3 O46 114.4(4) . . ? O45 P3 O46 108.5(5) . . ? O44 P3 C2 113.8(5) . . ? O45 P3 C2 108.0(4) . . ? O46 P3 C2 101.3(4) . . ? O56 P7 O58 109.6(4) . . ? O56 P7 O57 114.4(5) . . ? O58 P7 O57 107.1(4) . . ? O56 P7 C30 113.4(9) . . ? O58 P7 C30 109.2(9) . . ? O57 P7 C30 102.7(8) . . ? P1 O1 W10 124.94(18) . . ? P1 O1 W2 122.75(18) . . ? W10 O1 W2 94.19(9) . . ? P1 O1 W1 120.82(17) . . ? W10 O1 W1 93.31(9) . . ? W2 O1 W1 92.48(9) . . ? P1 O2 W3 126.30(19) . . ? P1 O2 W4 123.31(18) . . ? W3 O2 W4 95.55(10) . . ? P1 O3 W12 125.81(18) . . ? P1 O3 W5 123.12(19) . . ? W12 O3 W5 94.38(10) . . ? P1 O4 W7 127.42(18) . . ? P1 O4 W9 120.21(17) . . ? W7 O4 W9 94.19(8) . . ? P1 O4 W8 120.23(17) . . ? W7 O4 W8 94.51(9) . . ? W9 O4 W8 91.79(8) . . ? P1 O1' W11 123.73(19) . . ? P1 O1' W10 123.69(19) . . ? W11 O1' W10 92.75(9) . . ? P1 O1' W12 123.14(18) . . ? W11 O1' W12 92.34(10) . . ? W10 O1' W12 92.21(10) . . ? P1 O2' W4 124.61(18) . . ? P1 O2' W9 122.33(18) . . ? W4 O2' W9 93.34(10) . . ? P1 O2' W5 123.09(18) . . ? W4 O2' W5 92.43(10) . . ? W9 O2' W5 92.25(9) . . ? P1 O3' W3 124.07(18) . . ? P1 O3' W8 122.98(17) . . ? W3 O3' W8 92.81(9) . . ? P1 O3' W2 122.84(18) . . ? W3 O3' W2 92.98(8) . . ? W8 O3' W2 92.44(9) . . ? P1 O4' W7 125.11(17) . . ? P1 O4' W6 123.12(18) . . ? W7 O4' W6 92.17(8) . . ? P1 O4' W1 123.12(17) . . ? W7 O4' W1 92.07(9) . . ? W6 O4' W1 91.96(9) . . ? W2 O5 W1 142.51(15) . . ? W2 O6 W3 133.84(14) . . ? W3 O7 W4 144.81(17) . . ? W5 O8 W4 137.58(18) . . ? W5 O9 W6 142.67(16) . . ? W6 O10 W1 140.52(16) . . ? W1 O11 W7 138.01(14) . . ? W8 O12 W2 138.03(14) . . ? W8 O13 W3 137.73(15) . . ? W9 O14 W4 138.19(17) . . ? W9 O15 W5 139.82(16) . . ? W7 O16 W6 139.09(14) . . ? W8 O17 W7 141.49(13) . . ? W8 O18 W9 143.74(15) . . ? W9 O19 W7 138.46(13) . . ? W10 O20 W1 142.58(17) . . ? W10 O21 W2 147.02(16) . . ? W11 O22 W3 145.57(17) . . ? W4 O23 W11 144.89(19) . . ? W12 O24 W5 143.04(19) . . ? W12 O25 W6 140.71(18) . . ? W11 O26 W10 138.85(17) . . ? W12 O27 W11 135.19(19) . . ? W12 O28 W10 137.52(18) . . ? P2 O41 Pr1 146.3(4) . . ? C3 O42 P2 131.8(3) . . ? C6 O43 P2 122.3(3) . . ? P3 O44 Pr1 150.7(3) . . ? P3 O45 C9 127.3(9) . . ? C12 O46 P3 122.9(9) . . ? P4 O47 Pr1 147.5(3) . . ? C17 O48 P4 128.2(10) . . ? C20 O49 P4 127.1(10) . . ? P5 O50 Pr1 156.4(3) . . ? C23 O51 P5 121.0(8) . . ? C26 O52 P5 125.1(8) . . ? P6 O53 Pr1 153.3(3) . . ? C31 O54 P6 137.4(9) . . ? P6 O55 C34 128.0(8) . . ? P7 O56 Pr1 155.3(3) . . ? C37 O57 P7 120.0(8) . . ? C40 O58 P7 123.0(8) . . ? Pr1 O59 H59A 116.4 . . ? Pr1 O59 H59B 98.5 . . ? H59A O59 H59B 116.1 . . ? Pr1 O60 H60A 108.7 . . ? Pr1 O60 H60C 108.2 . . ? H60A O60 H60C 109.5 . . ? C2 C1 P2 113.9(3) . . ? C2 C1 H1A 108.8 . . ? P2 C1 H1A 108.8 . . ? C2 C1 H1B 108.8 . . ? P2 C1 H1B 108.8 . . ? H1A C1 H1B 107.7 . . ? C1 C2 P3 111.1(2) . . ? C1 C2 H2A 109.4 . . ? P3 C2 H2A 109.4 . . ? C1 C2 H2B 109.4 . . ? P3 C2 H2B 109.4 . . ? H2A C2 H2B 108.0 . . ? O42 C3 C5 112.6 . . ? O42 C3 C4 111.0 . . ? C5 C3 C4 112.6 . . ? O42 C3 H3 106.7 . . ? C5 C3 H3 106.7 . . ? C4 C3 H3 106.7 . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C3 C5 H5A 109.5 . . ? C3 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C3 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O43 C6 C7 108.2 . . ? O43 C6 C8 106.5 . . ? C7 C6 C8 112.1 . . ? O43 C6 H6 110.0 . . ? C7 C6 H6 110.0 . . ? C8 C6 H6 110.0 . . ? C6 C7 H7A 109.5 . . ? C6 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C6 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C6 C8 H8A 109.5 . . ? C6 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C6 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C10 C9 C11 112.8(14) . . ? C10 C9 O45 104.1(16) . . ? C11 C9 O45 103.4(16) . . ? C10 C9 H9 112.0 . . ? C11 C9 H9 112.0 . . ? O45 C9 H9 112.0 . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C9 C11 H11A 109.5 . . ? C9 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C9 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O46 C12 C13 107.3(16) . . ? O46 C12 C14 106.6(16) . . ? C13 C12 C14 111.6(13) . . ? O46 C12 H12 110.4 . . ? C13 C12 H12 110.4 . . ? C14 C12 H12 110.4 . . ? C12 C13 H13A 109.5 . . ? C12 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C12 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C12 C14 H14A 109.5 . . ? C12 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C12 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C16 C15 P4 113.2(19) . . ? C16 C15 H15A 108.9 . . ? P4 C15 H15A 108.9 . . ? C16 C15 H15B 108.9 . . ? P4 C15 H15B 108.9 . . ? H15A C15 H15B 107.8 . . ? C15 C16 P5 113.3(17) . . ? C15 C16 H16A 108.9 . . ? P5 C16 H16A 108.9 . . ? C15 C16 H16B 108.9 . . ? P5 C16 H16B 108.9 . . ? H16A C16 H16B 107.7 . . ? O48 C17 C18 109.7(18) . . ? O48 C17 C19 109.0(17) . . ? C18 C17 C19 112.9(14) . . ? O48 C17 H17 108.4 . . ? C18 C17 H17 108.4 . . ? C19 C17 H17 108.4 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? O49 C20 C22 108.0(18) . . ? O49 C20 C21 106.5(17) . . ? C22 C20 C21 113.1(14) . . ? O49 C20 H20 109.7 . . ? C22 C20 H20 109.7 . . ? C21 C20 H20 109.7 . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C24 C23 C25 109.1(13) . . ? C24 C23 O51 104.4(16) . . ? C25 C23 O51 103.7(16) . . ? C24 C23 H23 113.0 . . ? C25 C23 H23 113.0 . . ? O51 C23 H23 113.0 . . ? C23 C24 H24A 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C23 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C23 C25 H25A 109.5 . . ? C23 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? C23 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O52 C26 C27 107.8(15) . . ? O52 C26 C28 107.4(15) . . ? C27 C26 C28 112.4(14) . . ? O52 C26 H26 109.7 . . ? C27 C26 H26 109.7 . . ? C28 C26 H26 109.7 . . ? C26 C27 H27A 109.5 . . ? C26 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C26 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C26 C28 H28A 109.5 . . ? C26 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C26 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C30 C29 P6 115.9(17) . . ? C30 C29 H29A 108.3 . . ? P6 C29 H29A 108.3 . . ? C30 C29 H29B 108.3 . . ? P6 C29 H29B 108.3 . . ? H29A C29 H29B 107.4 . . ? C29 C30 P7 116.5(17) . . ? C29 C30 H30A 108.2 . . ? P7 C30 H30A 108.2 . . ? C29 C30 H30B 108.2 . . ? P7 C30 H30B 108.2 . . ? H30A C30 H30B 107.3 . . ? O54 C31 C33 118.8(16) . . ? O54 C31 C32 117.3(17) . . ? C33 C31 C32 110.6(14) . . ? O54 C31 H31 102.3 . . ? C33 C31 H31 102.3 . . ? C32 C31 H31 102.3 . . ? C31 C32 H32A 109.5 . . ? C31 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C31 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C31 C33 H33A 109.5 . . ? C31 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C31 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C36 C34 C35 107.7(13) . . ? C36 C34 O55 102.5(14) . . ? C35 C34 O55 101.3(14) . . ? C36 C34 H34 114.6 . . ? C35 C34 H34 114.6 . . ? O55 C34 H34 114.6 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? O57 C37 C39 106.6(15) . . ? O57 C37 C38 104.2(15) . . ? C39 C37 C38 112.6(13) . . ? O57 C37 H37 111.0 . . ? C39 C37 H37 111.0 . . ? C38 C37 H37 111.0 . . ? C37 C38 H38A 109.5 . . ? C37 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C37 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C37 C39 H39A 109.5 . . ? C37 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C37 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? O58 C40 C42 108.9(15) . . ? O58 C40 C41 107.5(14) . . ? C42 C40 C41 111.1(13) . . ? O58 C40 H40 109.8 . . ? C42 C40 H40 109.8 . . ? C41 C40 H40 109.8 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag W1 O29 1.680(3) . ? W1 O11 1.907(2) . ? W1 O5 1.911(3) . ? W1 O10 1.949(3) . ? W1 O20 1.951(3) . ? W1 O4' 2.491(3) . ? W1 O1 2.519(3) . ? W2 O30 1.689(3) . ? W2 O6 1.864(3) . ? W2 O21 1.897(3) . ? W2 O5 1.903(3) . ? W2 O12 1.939(3) . ? W2 O1 2.482(3) . ? W2 O3' 2.484(3) . ? W3 O31 1.655(3) . ? W3 O7 1.835(4) . ? W3 O22 1.907(3) . ? W3 O13 1.934(3) . ? W3 O6 2.019(3) . ? W3 O2 2.412(3) . ? W3 O3' 2.444(3) . ? W4 O32 1.648(4) . ? W4 O23 1.889(3) . ? W4 O8 1.919(4) . ? W4 O7 1.960(3) . ? W4 O14 1.963(3) . ? W4 O2' 2.452(3) . ? W4 O2 2.474(3) . ? W5 O33 1.691(3) . ? W5 O9 1.859(3) . ? W5 O8 1.907(4) . ? W5 O24 1.913(3) . ? W5 O15 1.928(3) . ? W5 O3 2.484(3) . ? W5 O2' 2.489(3) . ? W6 O34 1.647(3) . ? W6 O10 1.850(3) . ? W6 O16 1.917(3) . ? W6 O9 1.950(4) . ? W6 O25 1.948(3) . ? W6 O4' 2.482(3) . ? W7 O35 1.680(2) . ? W7 O16 1.882(3) . ? W7 O11 1.910(3) . ? W7 O19 1.940(3) . ? W7 O17 1.968(2) . ? W7 O4 2.417(2) . ? W7 O4' 2.460(2) . ? W8 O36 1.667(3) . ? W8 O17 1.871(2) . ? W8 O13 1.879(3) . ? W8 O18 1.879(3) . ? W8 O12 1.888(3) . ? W8 O3' 2.466(3) . ? W8 O4 2.517(3) . ? W9 O37 1.681(3) . ? W9 O14 1.869(3) . ? W9 O15 1.879(3) . ? W9 O18 1.915(3) . ? W9 O19 1.916(3) . ? W9 O2' 2.470(3) . ? W9 O4 2.505(3) . ? W10 O38 1.671(3) . ? W10 O20 1.866(3) . ? W10 O21 1.872(3) . ? W10 O26 1.939(4) . ? W10 O28 1.965(4) . ? W10 O1 2.452(3) . ? W10 O1' 2.477(3) . ? W11 O39 1.661(4) . ? W11 O26 1.872(4) . ? W11 O22 1.880(3) . ? W11 O23 1.898(3) . ? W11 O27 1.944(3) . ? W11 O1' 2.452(3) . ? W12 O40 1.627(4) . ? W12 O28 1.866(3) . ? W12 O25 1.888(3) . ? W12 O24 1.891(3) . ? W12 O27 1.903(3) . ? W12 O3 2.433(3) . ? W12 O1' 2.478(3) . ? Pr1 O53 2.428(3) . ? Pr1 O50 2.432(3) . ? Pr1 O47 2.453(4) . ? Pr1 O44 2.458(3) . ? Pr1 O41 2.469(3) . ? Pr1 O56 2.475(4) . ? Pr1 O59 2.496(4) . ? Pr1 O60 2.593(3) . ? P1 O4' 1.572(4) . ? P1 O2 1.576(4) . ? P1 O2' 1.576(4) . ? P1 O1' 1.580(4) . ? P1 O3 1.581(4) . ? P1 O4 1.579(4) . ? P1 O3' 1.582(4) . ? P1 O1 1.585(4) . ? P2 O41 1.484(7) . ? P2 O42 1.562(8) . ? P2 O43 1.619(8) . ? P2 C1 1.813(8) . ? P4 O47 1.511(8) . ? P4 O49 1.534(8) . ? P4 O48 1.571(8) . ? P4 C15 1.82(3) . ? P5 O50 1.482(7) . ? P5 O51 1.572(7) . ? P5 O52 1.575(8) . ? P5 C16 1.83(2) . ? P6 O53 1.487(7) . ? P6 O55 1.572(7) . ? P6 O54 1.599(7) . ? P6 C29 1.82(2) . ? P3 O44 1.523(7) . ? P3 O45 1.568(7) . ? P3 O46 1.586(8) . ? P3 C2 1.799(7) . ? P7 O56 1.448(7) . ? P7 O58 1.576(7) . ? P7 O57 1.575(7) . ? P7 C30 1.72(2) . ? O42 C3 1.4039 . ? O43 C6 1.4710 . ? O45 C9 1.54(3) . ? O46 C12 1.50(3) . ? O48 C17 1.45(3) . ? O49 C20 1.48(3) . ? O51 C23 1.56(3) . ? O52 C26 1.49(2) . ? O54 C31 1.32(2) . ? O55 C34 1.59(3) . ? O57 C37 1.51(3) . ? O58 C40 1.47(2) . ? O59 H59A 0.8660 . ? O59 H59B 0.8676 . ? O60 H60A 0.8689 . ? O60 H60C 0.8663 . ? C1 C2 1.5382 . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C5 1.5129 . ? C3 C4 1.5286 . ? C3 H3 0.9800 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 C7 1.5300 . ? C6 C8 1.5318 . ? C6 H6 0.9800 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 C10 1.534(10) . ? C9 C11 1.536(10) . ? C9 H9 0.9800 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 C13 1.533(10) . ? C12 C14 1.531(10) . ? C12 H12 0.9800 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 C16 1.537(10) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C18 1.523(10) . ? C17 C19 1.532(10) . ? C17 H17 0.9800 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 C22 1.520(10) . ? C20 C21 1.529(10) . ? C20 H20 0.9800 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 C24 1.534(10) . ? C23 C25 1.537(10) . ? C23 H23 0.9800 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 C27 1.524(10) . ? C26 C28 1.536(10) . ? C26 H26 0.9800 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 C30 1.531(10) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C33 1.522(10) . ? C31 C32 1.533(10) . ? C31 H31 0.9800 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 C36 1.538(10) . ? C34 C35 1.539(10) . ? C34 H34 0.9800 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C39 1.531(10) . ? C37 C38 1.530(10) . ? C37 H37 0.9800 . ? C38 H38A 0.9600 . ? C38 H38B 0.9600 . ? C38 H38C 0.9600 . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 C42 1.525(10) . ? C40 C41 1.529(10) . ? C40 H40 0.9800 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O2 P1 O1 W10 -65.5(3) . . . . ? O3 P1 O1 W10 54.4(3) . . . . ? O4 P1 O1 W10 174.74(13) . . . . ? O2 P1 O1 W2 58.2(3) . . . . ? O3 P1 O1 W2 178.15(12) . . . . ? O4 P1 O1 W2 -61.5(3) . . . . ? O2 P1 O1 W1 174.53(13) . . . . ? O3 P1 O1 W1 -65.5(3) . . . . ? O4 P1 O1 W1 54.8(3) . . . . ? O3 P1 O2 W3 -176.95(13) . . . . ? O4 P1 O2 W3 62.0(3) . . . . ? O1 P1 O2 W3 -57.4(3) . . . . ? O3 P1 O2 W4 54.3(3) . . . . ? O4 P1 O2 W4 -66.7(3) . . . . ? O1 P1 O2 W4 173.86(13) . . . . ? O2 P1 O3 W12 63.4(3) . . . . ? O4 P1 O3 W12 -175.71(13) . . . . ? O1 P1 O3 W12 -55.8(3) . . . . ? O2 P1 O3 W5 -62.3(3) . . . . ? O4 P1 O3 W5 58.6(3) . . . . ? O1 P1 O3 W5 178.48(12) . . . . ? O2 P1 O4 W7 -179.61(11) . . . . ? O3 P1 O4 W7 59.4(3) . . . . ? O1 P1 O4 W7 -60.5(3) . . . . ? O2 P1 O4 W9 56.9(3) . . . . ? O3 P1 O4 W9 -64.1(3) . . . . ? O1 P1 O4 W9 176.02(14) . . . . ? O2 P1 O4 W8 -55.5(3) . . . . ? O3 P1 O4 W8 -176.48(13) . . . . ? O1 P1 O4 W8 63.6(3) . . . . ? O4' P1 O1' W11 -179.59(13) . . . . ? O2' P1 O1' W11 59.8(3) . . . . ? O3' P1 O1' W11 -59.2(3) . . . . ? O4' P1 O1' W10 -58.6(3) . . . . ? O2' P1 O1' W10 -179.23(13) . . . . ? O3' P1 O1' W10 61.8(3) . . . . ? O4' P1 O1' W12 60.8(3) . . . . ? O2' P1 O1' W12 -59.8(3) . . . . ? O3' P1 O1' W12 -178.82(13) . . . . ? O4' P1 O2' W4 -179.65(13) . . . . ? O1' P1 O2' W4 -58.8(3) . . . . ? O3' P1 O2' W4 60.2(3) . . . . ? O4' P1 O2' W9 59.0(3) . . . . ? O1' P1 O2' W9 179.88(13) . . . . ? O3' P1 O2' W9 -61.2(3) . . . . ? O4' P1 O2' W5 -58.9(3) . . . . ? O1' P1 O2' W5 62.0(3) . . . . ? O3' P1 O2' W5 -179.11(12) . . . . ? O4' P1 O3' W3 -178.31(13) . . . . ? O2' P1 O3' W3 -58.0(3) . . . . ? O1' P1 O3' W3 60.9(3) . . . . ? O4' P1 O3' W8 -57.7(3) . . . . ? O2' P1 O3' W8 62.6(3) . . . . ? O1' P1 O3' W8 -178.46(12) . . . . ? O4' P1 O3' W2 61.0(3) . . . . ? O2' P1 O3' W2 -178.78(12) . . . . ? O1' P1 O3' W2 -59.8(3) . . . . ? O2' P1 O4' W7 -59.4(3) . . . . ? O1' P1 O4' W7 -179.53(12) . . . . ? O3' P1 O4' W7 60.5(3) . . . . ? O2' P1 O4' W6 61.6(3) . . . . ? O1' P1 O4' W6 -58.6(3) . . . . ? O3' P1 O4' W6 -178.61(13) . . . . ? O2' P1 O4' W1 179.87(12) . . . . ? O1' P1 O4' W1 59.7(3) . . . . ? O3' P1 O4' W1 -60.3(3) . . . . ? O30 W2 O6 W3 -158.95(11) . . . . ? O21 W2 O6 W3 95.7(2) . . . . ? O5 W2 O6 W3 17.3(6) . . . . ? O12 W2 O6 W3 -57.2(2) . . . . ? O1 W2 O6 W3 37.6(3) . . . . ? O3' W2 O6 W3 5.5(2) . . . . ? O31 W3 O7 W4 144.02(19) . . . . ? O22 W3 O7 W4 43.4(3) . . . . ? O13 W3 O7 W4 -109.7(3) . . . . ? O6 W3 O7 W4 -29.8(7) . . . . ? O2 W3 O7 W4 -14.9(3) . . . . ? O3' W3 O7 W4 -45.5(3) . . . . ? O33 W5 O9 W6 147.15(18) . . . . ? O8 W5 O9 W6 -40.0(7) . . . . ? O24 W5 O9 W6 43.6(3) . . . . ? O15 W5 O9 W6 -110.3(2) . . . . ? O3 W5 O9 W6 -13.4(3) . . . . ? O2' W5 O9 W6 -47.3(3) . . . . ? O34 W6 O10 W1 -157.48(13) . . . . ? O16 W6 O10 W1 -56.2(3) . . . . ? O9 W6 O10 W1 16.6(6) . . . . ? O25 W6 O10 W1 100.2(2) . . . . ? O4' W6 O10 W1 6.6(2) . . . . ? O36 W8 O12 W2 -157.46(14) . . . . ? O17 W8 O12 W2 99.3(2) . . . . ? O13 W8 O12 W2 -56.9(2) . . . . ? O18 W8 O12 W2 18.6(5) . . . . ? O3' W8 O12 W2 5.6(2) . . . . ? O4 W8 O12 W2 39.0(2) . . . . ? O36 W8 O13 W3 155.19(14) . . . . ? O17 W8 O13 W3 -26.2(6) . . . . ? O18 W8 O13 W3 -102.0(2) . . . . ? O12 W8 O13 W3 54.1(3) . . . . ? O3' W8 O13 W3 -9.0(3) . . . . ? O4 W8 O13 W3 -40.7(3) . . . . ? O37 W9 O14 W4 -158.98(14) . . . . ? O15 W9 O14 W4 -56.1(3) . . . . ? O18 W9 O14 W4 98.2(3) . . . . ? O19 W9 O14 W4 15.0(7) . . . . ? O2' W9 O14 W4 6.4(3) . . . . ? O4 W9 O14 W4 36.6(3) . . . . ? O37 W9 O15 W5 156.83(16) . . . . ? O14 W9 O15 W5 54.2(3) . . . . ? O18 W9 O15 W5 -28.9(6) . . . . ? O19 W9 O15 W5 -105.3(3) . . . . ? O2' W9 O15 W5 -8.5(3) . . . . ? O4 W9 O15 W5 -43.3(3) . . . . ? O35 W7 O16 W6 -157.98(16) . . . . ? O11 W7 O16 W6 -58.1(3) . . . . ? O19 W7 O16 W6 99.6(2) . . . . ? O17 W7 O16 W6 14.1(6) . . . . ? O4 W7 O16 W6 35.7(3) . . . . ? O4' W7 O16 W6 6.1(3) . . . . ? O36 W8 O17 W7 148.09(14) . . . . ? O13 W8 O17 W7 -30.6(5) . . . . ? O18 W8 O17 W7 44.6(2) . . . . ? O12 W8 O17 W7 -110.97(18) . . . . ? O3' W8 O17 W7 -46.0(2) . . . . ? O4 W8 O17 W7 -13.9(2) . . . . ? O36 W8 O18 W9 -152.30(16) . . . . ? O17 W8 O18 W9 -48.8(3) . . . . ? O13 W8 O18 W9 107.8(2) . . . . ? O12 W8 O18 W9 31.7(5) . . . . ? O3' W8 O18 W9 43.5(3) . . . . ? O4 W8 O18 W9 8.5(2) . . . . ? O38 W10 O20 W1 149.03(16) . . . . ? O21 W10 O20 W1 45.3(3) . . . . ? O26 W10 O20 W1 -26.0(7) . . . . ? O28 W10 O20 W1 -108.1(3) . . . . ? O1 W10 O20 W1 -11.5(3) . . . . ? O1' W10 O20 W1 -43.6(3) . . . . ? O38 W10 O21 W2 -148.8(2) . . . . ? O20 W10 O21 W2 -47.0(4) . . . . ? O26 W10 O21 W2 108.1(3) . . . . ? O28 W10 O21 W2 35.6(7) . . . . ? O1 W10 O21 W2 13.0(4) . . . . ? O1' W10 O21 W2 45.0(4) . . . . ? O30 W2 O21 W10 147.5(2) . . . . ? O6 W2 O21 W10 -111.5(3) . . . . ? O5 W2 O21 W10 47.0(4) . . . . ? O12 W2 O21 W10 -27.6(7) . . . . ? O1 W2 O21 W10 -12.9(3) . . . . ? O3' W2 O21 W10 -44.6(4) . . . . ? O39 W11 O22 W3 145.3(2) . . . . ? O26 W11 O22 W3 -110.7(3) . . . . ? O23 W11 O22 W3 44.3(4) . . . . ? O27 W11 O22 W3 -27.4(8) . . . . ? O1' W11 O22 W3 -46.4(4) . . . . ? O32 W4 O23 W11 146.7(2) . . . . ? O8 W4 O23 W11 -106.8(3) . . . . ? O7 W4 O23 W11 47.2(4) . . . . ? O14 W4 O23 W11 -25.4(7) . . . . ? O2' W4 O23 W11 -41.5(4) . . . . ? O2 W4 O23 W11 -8.3(3) . . . . ? O39 W11 O23 W4 -150.8(2) . . . . ? O26 W11 O23 W4 26.5(7) . . . . ? O22 W11 O23 W4 -47.4(4) . . . . ? O27 W11 O23 W4 108.2(3) . . . . ? O1' W11 O23 W4 42.4(4) . . . . ? O40 W12 O24 W5 152.23(19) . . . . ? O28 W12 O24 W5 -26.3(7) . . . . ? O25 W12 O24 W5 50.4(3) . . . . ? O27 W12 O24 W5 -107.4(3) . . . . ? O3 W12 O24 W5 -11.1(3) . . . . ? O1' W12 O24 W5 -41.7(3) . . . . ? O40 W12 O25 W6 -151.28(16) . . . . ? O28 W12 O25 W6 108.9(3) . . . . ? O24 W12 O25 W6 -48.6(3) . . . . ? O27 W12 O25 W6 30.1(8) . . . . ? O3 W12 O25 W6 10.6(3) . . . . ? O1' W12 O25 W6 43.5(3) . . . . ? O39 W11 O26 W10 -153.87(15) . . . . ? O22 W11 O26 W10 102.7(2) . . . . ? O23 W11 O26 W10 28.9(7) . . . . ? O27 W11 O26 W10 -51.7(3) . . . . ? O1' W11 O26 W10 11.2(3) . . . . ? O40 W12 O28 W10 160.42(14) . . . . ? O25 W12 O28 W10 -97.9(2) . . . . ? O24 W12 O28 W10 -21.0(7) . . . . ? O27 W12 O28 W10 59.9(3) . . . . ? O3 W12 O28 W10 -34.5(3) . . . . ? O1' W12 O28 W10 -4.1(3) . . . . ? O42 P2 O41 Pr1 -85.3(8) . . . . ? O43 P2 O41 Pr1 153.7(3) . . . . ? C1 P2 O41 Pr1 35.7(9) . . . . ? O41 P2 O42 C3 -53.7(7) . . . . ? O43 P2 O42 C3 63.6(5) . . . . ? C1 P2 O42 C3 179.86(7) . . . . ? O41 P2 O43 C6 -166.9(2) . . . . ? O42 P2 O43 C6 70.1(5) . . . . ? C1 P2 O43 C6 -44.2(5) . . . . ? O45 P3 O44 Pr1 138.5(4) . . . . ? O46 P3 O44 Pr1 -98.9(7) . . . . ? C2 P3 O44 Pr1 16.9(9) . . . . ? O44 P3 O45 C9 -177.3(10) . . . . ? O46 P3 O45 C9 56.7(11) . . . . ? C2 P3 O45 C9 -52.4(11) . . . . ? O44 P3 O46 C12 -55.4(10) . . . . ? O45 P3 O46 C12 68.2(10) . . . . ? C2 P3 O46 C12 -178.2(9) . . . . ? O49 P4 O47 Pr1 -118.3(5) . . . . ? O48 P4 O47 Pr1 122.2(5) . . . . ? C15 P4 O47 Pr1 4.0(11) . . . . ? O47 P4 O48 C17 140.3(12) . . . . ? O49 P4 O48 C17 16.9(14) . . . . ? C15 P4 O48 C17 -97.3(15) . . . . ? O47 P4 O49 C20 -11.7(12) . . . . ? O48 P4 O49 C20 108.1(11) . . . . ? C15 P4 O49 C20 -137.6(13) . . . . ? O51 P5 O50 Pr1 160.1(4) . . . . ? O52 P5 O50 Pr1 -87.7(9) . . . . ? C16 P5 O50 Pr1 35.3(13) . . . . ? O50 P5 O51 C23 -61.5(11) . . . . ? O52 P5 O51 C23 -177.3(10) . . . . ? C16 P5 O51 C23 66.3(14) . . . . ? O50 P5 O52 C26 176.8(9) . . . . ? O51 P5 O52 C26 -61.3(10) . . . . ? C16 P5 O52 C26 52.3(12) . . . . ? O55 P6 O53 Pr1 -129.1(5) . . . . ? O54 P6 O53 Pr1 107.7(7) . . . . ? C29 P6 O53 Pr1 -15.2(12) . . . . ? O53 P6 O54 C31 -176.9(17) . . . . ? O55 P6 O54 C31 59.7(18) . . . . ? C29 P6 O54 C31 -53(2) . . . . ? O53 P6 O55 C34 -72.6(10) . . . . ? O54 P6 O55 C34 49.8(10) . . . . ? C29 P6 O55 C34 167.3(11) . . . . ? O58 P7 O56 Pr1 -79.8(9) . . . . ? O57 P7 O56 Pr1 159.9(4) . . . . ? C30 P7 O56 Pr1 42.5(12) . . . . ? O56 P7 O57 C37 41.1(10) . . . . ? O58 P7 O57 C37 -80.6(9) . . . . ? C30 P7 O57 C37 164.4(12) . . . . ? O56 P7 O58 C40 -175.4(8) . . . . ? O57 P7 O58 C40 -50.7(10) . . . . ? C30 P7 O58 C40 59.9(12) . . . . ? O41 P2 C1 C2 49.6(6) . . . . ? O42 P2 C1 C2 175.4(2) . . . . ? O43 P2 C1 C2 -66.4(4) . . . . ? P2 C1 C2 P3 -101.2(4) . . . . ? O44 P3 C2 C1 57.4(5) . . . . ? O45 P3 C2 C1 -65.4(4) . . . . ? O46 P3 C2 C1 -179.4(2) . . . . ? P2 O42 C3 C5 60.5(4) . . . . ? P2 O42 C3 C4 -172.2(4) . . . . ? P2 O43 C6 C7 -79.8(4) . . . . ? P2 O43 C6 C8 159.4(4) . . . . ? P3 O45 C9 C10 127.5(13) . . . . ? P3 O45 C9 C11 -114.4(14) . . . . ? P3 O46 C12 C13 90.3(16) . . . . ? P3 O46 C12 C14 -150.1(13) . . . . ? O47 P4 C15 C16 -77.2(19) . . . . ? O49 P4 C15 C16 49(2) . . . . ? O48 P4 C15 C16 163.8(16) . . . . ? P4 C15 C16 P5 96(2) . . . . ? O50 P5 C16 C15 -52(2) . . . . ? O51 P5 C16 C15 178.4(17) . . . . ? O52 P5 C16 C15 69(2) . . . . ? P4 O48 C17 C18 81(2) . . . . ? P4 O48 C17 C19 -155.2(17) . . . . ? P4 O49 C20 C22 121.5(15) . . . . ? P4 O49 C20 C21 -116.7(16) . . . . ? P5 O51 C23 C24 11.1(18) . . . . ? P5 O51 C23 C25 125.4(14) . . . . ? P5 O52 C26 C27 -138.2(14) . . . . ? P5 O52 C26 C28 100.4(15) . . . . ? O53 P6 C29 C30 -61(2) . . . . ? O55 P6 C29 C30 58.1(19) . . . . ? O54 P6 C29 C30 176.2(16) . . . . ? P6 C29 C30 P7 93(2) . . . . ? O56 P7 C30 C29 -60(2) . . . . ? O58 P7 C30 C29 63(2) . . . . ? O57 P7 C30 C29 176.0(17) . . . . ? P6 O54 C31 C33 -30(3) . . . . ? P6 O54 C31 C32 -167.6(15) . . . . ? P6 O55 C34 C36 86.0(14) . . . . ? P6 O55 C34 C35 -25.2(17) . . . . ? P7 O57 C37 C39 141.6(13) . . . . ? P7 O57 C37 C38 -99.1(13) . . . . ? P7 O58 C40 C42 -116.7(13) . . . . ? P7 O58 C40 C41 122.9(13) . . . . ?