#------------------------------------------------------------------------------ #$Date: 2018-12-01 01:34:59 +0200 (Sat, 01 Dec 2018) $ #$Revision: 212266 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/03/1550308.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_1550308 loop_ _publ_author_name 'Mandal, Swadhin K.' 'Sau, Samaresh Ch' 'Bhattacharjee, Rameswar' 'Hota, Pradip kumar' 'Vardhanapu, Pavan Kumar' 'vijaykumar, gonela' 'Govindarajan, R.' 'Datta, Ayan' _publ_section_title ; Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions ; _journal_name_full 'Chemical Science' _journal_paper_doi 10.1039/C8SC03581D _journal_year 2019 _chemical_absolute_configuration unk _chemical_formula_moiety 'B0.5 H1.5 O1.5, C39 H45 N2, C H O3' _chemical_formula_sum 'C40 H47.5 B0.5 N2 O4.5' _chemical_formula_weight 633.75 _space_group_crystal_system orthorhombic _space_group_IT_number 18 _space_group_name_Hall ' P 2 2ab' _space_group_name_H-M_alt 'P 21 21 2' _symmetry_Int_Tables_number 18 _symmetry_space_group_name_Hall 'P 2 2ab' _symmetry_space_group_name_H-M 'P 21 21 2' _audit_creation_date 2017-09-18 _audit_creation_method ; Olex2 1.2 (compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381) ; _audit_update_record ; 2017-10-31 deposited with the CCDC. 2018-11-30 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 19.3779(19) _cell_length_b 14.5134(16) _cell_length_c 13.085(2) _cell_measurement_reflns_used 2018 _cell_measurement_temperature 100.00(10) _cell_measurement_theta_max 24.8210 _cell_measurement_theta_min 2.0940 _cell_volume 3680.0(8) _computing_cell_refinement 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _diffrn_ambient_environment N~2~ _diffrn_ambient_temperature 100.00(10) _diffrn_detector 'CCD plate' _diffrn_detector_area_resol_mean 15.9160 _diffrn_detector_type Eos _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames #-------------------------------------------------------------------------- 1 \w -19.00 25.00 1.00 101.43 -- -26.98 -99.00 120.00 44 2 \w -1.00 100.00 1.00 101.43 -- 28.55 77.00 60.00 101 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 0.0214260000 _diffrn_orient_matrix_UB_12 -0.0130201000 _diffrn_orient_matrix_UB_13 -0.0416193000 _diffrn_orient_matrix_UB_21 -0.0170730000 _diffrn_orient_matrix_UB_22 -0.0431021000 _diffrn_orient_matrix_UB_23 -0.0030496000 _diffrn_orient_matrix_UB_31 -0.0243572000 _diffrn_orient_matrix_UB_32 0.0188809000 _diffrn_orient_matrix_UB_33 -0.0345600000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0469 _diffrn_reflns_av_unetI/netI 0.0778 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -6 _diffrn_reflns_number 6541 _diffrn_reflns_theta_full 25.0000 _diffrn_reflns_theta_max 25.01 _diffrn_reflns_theta_min 1.75 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'SuperNova (Mo) X-ray Source' _exptl_absorpt_coefficient_mu 0.074 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.86510 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour 'clear light colourless' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_modifier light _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.1438 _exptl_crystal_description block _exptl_crystal_F_000 1360.6245 _exptl_crystal_size_max 0.65 _exptl_crystal_size_mid 0.54 _exptl_crystal_size_min 0.2 _refine_diff_density_max 0.2940 _refine_diff_density_min -0.4850 _refine_diff_density_rms 0.0760 _refine_ls_abs_structure_details 'Flack, H. D. (1983). Acta Cryst. A39, 876-881.' _refine_ls_abs_structure_Flack -0.5(5) _refine_ls_d_res_high 0.8404 _refine_ls_d_res_low 11.6165 _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_goodness_of_fit_ref 1.0616 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_constraints 80 _refine_ls_number_parameters 437 _refine_ls_number_reflns 5474 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.0616 _refine_ls_R_factor_all 0.0944 _refine_ls_R_factor_gt 0.0845 _refine_ls_shift/su_max 0.0156 _refine_ls_shift/su_mean 0.0010 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0785P)^2^+6.8814P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2081 _refine_ls_wR_factor_ref 0.2179 _reflns_Friedel_coverage 0.652 _reflns_limit_h_max 22 _reflns_limit_h_min -22 _reflns_limit_k_max 17 _reflns_limit_k_min -17 _reflns_limit_l_max 15 _reflns_limit_l_min -15 _reflns_number_gt 4783 _reflns_number_total 5474 _reflns_threshold_expression I>=2u(I) _iucr_refine_instructions_details ; TITL 9bbn_carbene_a.res in P2(1)2(1)2 REM Old TITL 9BBN_Carbene in P2221 #17 REM SHELXT solution in P2(1)2(1)2 REM R1 0.155, Rweak 0.090, Alpha 0.005, Orientation as input REM Flack x = -7.975 ( 2.349 ) from Parsons' quotients REM Formula found by SHELXT: C87 N6 O7 CELL 0.71073 19.377884 14.513389 13.085062 90 90 90 ZERR 4 0.001902 0.0016 0.002042 0 0 0 LATT -1 SYMM -X,-Y,+Z SYMM 0.5-X,0.5+Y,-Z SYMM 0.5+X,0.5-Y,-Z SFAC C H B N O UNIT 160 190 2 8 18 L.S. 4 0 0 PLAN 20 BOND $H LIST 6 fmap 2 53 ACTA 50 ABIN EXTI 0.026754 WGHT 0.078455 6.881373 FVAR 0.509105 REM REM REM O4 5 0.01234 0.42236 0.97634 11.00000 0.04904 0.04408 0.04315 = 0.00352 -0.00323 -0.00206 AFIX 147 H4 2 0.01331 0.37787 1.01494 11.00000 -1.50000 AFIX 0 N1 4 0.19322 0.30035 0.84853 11.00000 0.02670 0.02103 0.03083 = 0.00071 -0.00057 0.00280 N3 4 0.21390 0.36615 0.70326 11.00000 0.02416 0.02319 0.03519 = -0.00137 -0.00077 -0.00089 O2 5 0.51282 0.22785 0.90025 11.00000 0.06844 0.06043 0.04521 = 0.00359 0.01751 0.00850 O3 5 0.56387 0.13706 0.77039 11.00000 0.04856 0.06291 0.05300 = -0.00704 0.00737 0.00151 O5 5 0.00000 0.50000 1.13263 10.50000 0.07964 0.05586 0.03398 = 0.00000 -0.00000 -0.03428 AFIX 147 H5a 2 0.00522 0.44719 1.15352 10.50000 -1.50000 AFIX 0 C24 1 0.27476 0.21416 0.73456 11.00000 0.02225 0.02349 0.03896 = -0.00514 0.00533 0.00417 C5 1 0.15842 0.38259 0.84759 11.00000 0.02232 0.02378 0.03605 = -0.00020 0.00138 0.00391 AFIX 43 H5 2 0.13038 0.40459 0.89986 11.00000 -1.20000 AFIX 0 C6 1 0.14726 0.51678 0.72417 11.00000 0.03028 0.02473 0.03355 = 0.00056 -0.00629 -0.00389 C12 1 0.23174 0.37381 0.59409 11.00000 0.02782 0.02280 0.03140 = 0.00803 0.00282 0.00182 C2 1 0.22752 0.29133 0.75988 11.00000 0.02466 0.01927 0.03017 = 0.00161 -0.00108 0.00045 C13 1 0.17974 0.35429 0.52346 11.00000 0.03120 0.01973 0.03877 = 0.00108 0.00132 0.00189 C11 1 0.18294 0.57187 0.65739 11.00000 0.03898 0.02656 0.04292 = -0.00224 0.01340 0.00538 AFIX 43 H11 2 0.22421 0.55086 0.62961 11.00000 -1.20000 AFIX 0 C16 1 0.31408 0.39980 0.46244 11.00000 0.02954 0.03607 0.04829 = 0.01127 0.00306 0.00245 AFIX 43 H16 2 0.35819 0.41599 0.44095 11.00000 -1.20000 AFIX 0 C30 1 0.18838 0.22895 0.92727 11.00000 0.02252 0.03252 0.04234 = 0.01047 0.00134 0.00243 C4 1 0.17110 0.42577 0.76027 11.00000 0.02567 0.01833 0.04399 = -0.00094 0.00141 0.00072 C31 1 0.22711 0.24066 1.01690 11.00000 0.02740 0.03000 0.03405 = 0.00102 -0.00217 0.00534 C35 1 0.14789 0.15095 0.90587 11.00000 0.02716 0.02487 0.03602 = -0.00200 -0.00221 -0.00005 C18 1 0.10579 0.32902 0.55299 11.00000 0.02805 0.03429 0.03471 = 0.00271 -0.00003 -0.00345 AFIX 13 H18 2 0.10229 0.33119 0.62767 11.00000 -1.20000 AFIX 0 C17 1 0.30001 0.39626 0.56669 11.00000 0.02614 0.02134 0.03960 = 0.00152 -0.00294 0.00607 C25 1 0.26916 0.16428 0.64314 11.00000 0.02747 0.03227 0.03399 = 0.00109 -0.00303 -0.00007 AFIX 43 H25 2 0.23533 0.17945 0.59563 11.00000 -1.20000 AFIX 0 C32 1 0.22346 0.16814 1.08777 11.00000 0.03841 0.04799 0.03715 = 0.00191 -0.00062 0.00352 AFIX 43 H32 2 0.24772 0.17284 1.14887 11.00000 -1.20000 AFIX 0 C7 1 0.08489 0.55071 0.76730 11.00000 0.03063 0.03135 0.04612 = 0.00770 0.00280 0.00188 AFIX 43 H7 2 0.06033 0.51471 0.81349 11.00000 -1.20000 AFIX 0 C29 1 0.32642 0.19458 0.80501 11.00000 0.02090 0.04178 0.03939 = 0.00072 0.00132 0.00467 AFIX 43 H29 2 0.33122 0.22937 0.86427 11.00000 -1.20000 AFIX 0 C15 1 0.26453 0.38002 0.39021 11.00000 0.04292 0.03160 0.03602 = 0.00628 0.00764 0.00652 AFIX 43 H15 2 0.27574 0.38148 0.32112 11.00000 -1.20000 AFIX 0 C27 1 0.36553 0.06924 0.69514 11.00000 0.04459 0.03081 0.05056 = 0.00180 0.00553 0.01481 AFIX 43 H27 2 0.39538 0.02025 0.68314 11.00000 -1.20000 AFIX 0 C36 1 0.10229 0.14281 0.81361 11.00000 0.03940 0.02592 0.03522 = 0.00372 0.00037 -0.00024 AFIX 13 H36 2 0.11246 0.19475 0.76820 11.00000 -1.20000 AFIX 0 C33 1 0.18566 0.09185 1.06950 11.00000 0.04704 0.02963 0.04271 = 0.01195 -0.00873 0.00181 AFIX 43 H33 2 0.18567 0.04442 1.11729 11.00000 -1.20000 AFIX 0 C21 1 0.35733 0.41502 0.64239 11.00000 0.03058 0.03357 0.05143 = 0.00279 -0.00338 -0.00173 AFIX 13 H21 2 0.33892 0.40731 0.71162 11.00000 -1.20000 AFIX 0 C39 1 0.26843 0.32796 1.03896 11.00000 0.02841 0.03533 0.04286 = 0.00010 -0.00038 -0.00196 AFIX 13 H39 2 0.27942 0.35764 0.97368 11.00000 -1.20000 AFIX 0 C41 1 0.22443 0.39486 1.10242 11.00000 0.04480 0.04089 0.03866 = 0.00187 0.00291 0.00113 AFIX 137 H41a 2 0.18382 0.41132 1.06456 11.00000 -1.50000 H41b 2 0.21122 0.36575 1.16532 11.00000 -1.50000 H41c 2 0.25074 0.44934 1.11703 11.00000 -1.50000 AFIX 0 C28 1 0.37066 0.12159 0.78442 11.00000 0.03086 0.04793 0.04692 = -0.00025 -0.00643 0.00964 AFIX 43 H28 2 0.40484 0.10709 0.83164 11.00000 -1.20000 AFIX 0 C9 1 0.09715 0.69216 0.67127 11.00000 0.04003 0.02904 0.05235 = -0.00217 -0.00992 0.01346 AFIX 43 H9 2 0.08041 0.74994 0.65309 11.00000 -1.20000 AFIX 0 C14 1 0.19708 0.35762 0.42081 11.00000 0.03346 0.02625 0.04233 = -0.00118 -0.00399 0.00225 AFIX 43 H14 2 0.16375 0.34491 0.37166 11.00000 -1.20000 AFIX 0 C38 1 0.11486 0.05437 0.75442 11.00000 0.04551 0.03106 0.04667 = -0.00895 -0.00121 -0.00243 AFIX 137 H38a 2 0.16332 0.04789 0.74095 11.00000 -1.50000 H38b 2 0.09912 0.00277 0.79396 11.00000 -1.50000 H38c 2 0.09010 0.05655 0.69092 11.00000 -1.50000 AFIX 0 C26 1 0.31418 0.09245 0.62403 11.00000 0.03960 0.02937 0.03925 = 0.00636 0.00098 0.00482 AFIX 43 H26 2 0.31041 0.05922 0.56352 11.00000 -1.20000 AFIX 0 C34 1 0.14713 0.08255 0.98194 11.00000 0.04803 0.03101 0.04431 = 0.00496 0.01168 -0.00464 AFIX 43 H34 2 0.12013 0.03021 0.97286 11.00000 -1.20000 AFIX 0 C8 1 0.06103 0.63572 0.74120 11.00000 0.04029 0.02761 0.05106 = 0.00048 -0.00310 0.01200 AFIX 43 H8 2 0.02016 0.65710 0.76994 11.00000 -1.20000 AFIX 0 C23 1 0.41755 0.34577 0.62728 11.00000 0.02785 0.04174 0.04662 = 0.00406 0.00455 0.00178 AFIX 137 H23a 2 0.40030 0.28397 0.63295 11.00000 -1.50000 H23b 2 0.43754 0.35447 0.56085 11.00000 -1.50000 H23c 2 0.45203 0.35604 0.67871 11.00000 -1.50000 AFIX 0 C40 1 0.33706 0.30506 1.09412 11.00000 0.03743 0.05085 0.04212 = 0.00754 -0.00265 -0.00861 AFIX 137 H40a 2 0.32739 0.27259 1.15641 11.00000 -1.50000 H40b 2 0.36516 0.26725 1.05063 11.00000 -1.50000 H40c 2 0.36116 0.36117 1.10951 11.00000 -1.50000 AFIX 0 B1 3 0.00000 0.50000 1.03104 10.50000 0.02963 0.06710 0.04228 = 0.00000 -0.00000 -0.01618 C20 1 0.05396 0.39823 0.50882 11.00000 0.03378 0.03901 0.05555 = -0.00266 0.00568 0.00282 AFIX 137 H20a 2 0.06514 0.45906 0.53241 11.00000 -1.50000 H20b 2 0.05604 0.39666 0.43554 11.00000 -1.50000 H20c 2 0.00824 0.38229 0.53087 11.00000 -1.50000 AFIX 0 C42 1 0.54994 0.21809 0.81459 11.00000 0.04752 0.06168 0.05908 = 0.02621 -0.01205 -0.02450 C37 1 0.02457 0.15011 0.84682 11.00000 0.02953 0.05293 0.05749 = -0.00019 -0.00269 -0.00620 AFIX 137 H37a 2 0.01277 0.09816 0.88873 11.00000 -1.50000 H37b 2 0.01770 0.20592 0.88487 11.00000 -1.50000 H37c 2 -0.00425 0.15073 0.78715 11.00000 -1.50000 AFIX 0 C19 1 0.08559 0.23164 0.51795 11.00000 0.03226 0.04404 0.05173 = -0.00180 -0.00608 0.00247 AFIX 137 H19a 2 0.09167 0.22666 0.44535 11.00000 -1.50000 H19b 2 0.11433 0.18717 0.55169 11.00000 -1.50000 H19c 2 0.03815 0.22025 0.53492 11.00000 -1.50000 AFIX 0 C10 1 0.15845 0.65862 0.63051 11.00000 0.05494 0.03121 0.03805 = 0.00214 0.00066 -0.00229 AFIX 43 H10 2 0.18338 0.69461 0.58473 11.00000 -1.20000 AFIX 0 O1 5 0.57619 0.28741 0.76175 11.00000 0.10434 0.08573 0.10879 = -0.00509 0.02572 -0.00111 AFIX 147 H1 2 0.54536 0.32366 0.74672 11.00000 -1.50000 AFIX 0 C22 1 0.38544 0.51327 0.63205 11.00000 0.04030 0.04017 0.08165 = 0.00559 -0.00278 -0.00478 AFIX 137 H22a 2 0.39971 0.52376 0.56276 11.00000 -1.50000 H22b 2 0.35001 0.55657 0.65000 11.00000 -1.50000 H22c 2 0.42421 0.52103 0.67690 11.00000 -1.50000 AFIX 0 HKLF 4 END Q1 1 0.333333 0.177778 0.675 11 0.05 0.29 Q2 1 0 0.366667 0.525 11 0.05 0.28 Q3 1 0.016667 0.055556 0.9 11 0.05 0.28 Q4 1 0.05 0.344444 0.325 11 0.05 0.28 Q5 1 0.2 0.111111 0.65 11 0.05 0.28 Q6 1 0.516667 0.3 0.925 11 0.05 0.27 Q7 1 0.466667 0.322222 0.775 11 0.05 0.27 Q8 1 0.083333 -0.122222 1.1 11 0.05 0.27 Q9 1 0.05 0.422222 1.1 11 0.05 0.26 Q10 1 0.55 0.077778 0.8 11 0.05 0.26 Q11 1 0.116667 0.122222 0.625 11 0.05 0.25 Q12 1 0.066667 0.477778 0.475 11 0.05 0.25 Q13 1 0.1 0.766667 0.65 11 0.05 0.25 Q14 1 0.2 0.133333 0.825 11 0.05 0.25 Q15 1 0.483333 0.211111 0.975 11 0.05 0.25 Q16 1 0.1 0.388889 1.075 11 0.05 0.25 Q17 1 0.4 0.388889 0.725 11 0.05 0.25 Q18 1 0.1 0.822222 0.575 11 0.05 0.24 Q19 1 0.283333 0.388889 0.95 11 0.05 0.24 Q20 1 0.183333 0.122222 0.5 11 0.05 0.24 REM The information below was added by Olex2. REM REM R1 = 0.0845 for 4783 Fo > 4sig(Fo) and 0.0944 for all 5474 data REM 437 parameters refined using 0 restraints REM Highest difference peak 0.2940, deepest hole -0.4850 REM Mean Shift 0.0010, Max Shift 0.0156. REM +++ Tabular Listing of Refinement Information +++ REM R1_all = 0.0944 REM R1_gt = 0.0845 REM wR_ref = 0.2179 REM GOOF = 1.0616 REM Shift_max = 0.0156 REM Shift_mean = 0.0010 REM Reflections_all = 5474 REM Reflections_gt = 4783 REM Parameters = 437 REM Hole = -0.4850 REM Peak = 0.2940 REM Flack = -0.5(5) ; _cod_data_source_file c8sc03581d3.cif _cod_data_source_block 9BBN_Carbene _cod_database_code 1550308 _chemical_oxdiff_formula 'C H N O B' _reflns_odcompleteness_completeness 85.62 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups, All O(H) groups 2. Others Fixed Sof: H5a(0.5) 3.a Ternary CH refined with riding coordinates: C18(H18), C36(H36), C21(H21), C39(H39) 3.b Aromatic/amide H refined with riding coordinates: C5(H5), C11(H11), C16(H16), C25(H25), C32(H32), C7(H7), C29(H29), C15(H15), C27(H27), C33(H33), C28(H28), C9(H9), C14(H14), C26(H26), C34(H34), C8(H8), C10(H10) 3.c Idealised Me refined as rotating group: C41(H41a,H41b,H41c), C38(H38a,H38b,H38c), C23(H23a,H23b,H23c), C40(H40a,H40b, H40c), C20(H20a,H20b,H20c), C37(H37a,H37b,H37c), C19(H19a,H19b,H19c), C22(H22a, H22b,H22c) 3.d Idealised tetrahedral OH refined as rotating group: O4(H4), O5(H5a), O1(H1) ; _shelx_fab_file ; -22 -5 -1 0.3753 0.4046 -22 -4 -2 -0.5388 -0.1416 -22 -4 -1 -1.1568 -0.0919 -22 -3 -3 0.4550 0.9153 -22 -3 -2 0.1353 1.1897 -22 -3 -1 0.6321 0.9377 -22 -2 -4 0.3413 -0.2024 -22 -2 -3 0.4716 -0.4909 -22 -2 -2 0.1804 -0.7592 -22 -2 -1 -0.8312 -0.0908 -22 -1 -4 -0.2250 -0.4451 -22 -1 -3 0.2477 -0.1357 -22 -1 -2 0.1782 0.4714 -22 -1 -1 0.3292 0.6966 -21 -7 -1 0.5509 -0.0555 -21 -6 -3 -0.0036 0.2406 -21 -6 -2 -0.4798 -0.1166 -21 -6 -1 0.1478 -0.1709 -21 -5 -4 0.3211 0.5387 -21 -5 -3 0.0439 -0.1805 -21 -5 -2 -0.7001 0.0433 -21 -5 -1 -0.9239 -0.2791 -21 -4 -5 -0.0349 0.0385 -21 -4 -4 -0.2188 0.5544 -21 -4 -3 0.0808 1.4078 -21 -4 -2 -0.3495 1.5251 -21 -4 -1 0.6164 1.0940 -21 -3 -5 0.4755 -0.3479 -21 -3 -4 0.8743 0.1316 -21 -3 -3 0.7131 -0.4576 -21 -3 -2 -0.2455 -0.7355 -21 -3 -1 -1.5690 -0.2631 -21 -2 -6 -0.1154 0.2376 -21 -2 -5 -0.2619 -0.2660 -21 -2 -4 -0.3660 -0.1629 -21 -2 -3 0.3679 0.5861 -21 -2 -2 0.1480 1.2938 -21 -2 -1 0.6364 1.2556 -21 -1 -6 -0.5554 -0.0423 -21 -1 -5 -0.8361 -0.2866 -21 -1 -4 0.0048 -0.1459 -21 -1 -3 0.8306 -0.2700 -21 -1 -2 0.6372 -0.5014 -21 -1 -1 -0.5050 -0.0376 -20 -8 -2 -0.3220 0.3840 -20 -8 -1 0.9564 0.0541 -20 -7 -4 0.8505 0.4724 -20 -7 -3 0.5886 -0.0591 -20 -7 -2 0.3446 -0.9058 -20 -7 -1 0.6649 -0.9472 -20 -6 -5 0.2728 0.0166 -20 -6 -4 -0.3538 0.5998 -20 -6 -3 -0.7640 -0.0381 -20 -6 -2 -0.9810 0.2747 -20 -6 -1 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-0.2902 17 3 8 0.1320 0.0910 17 3 9 0.8374 -0.5273 17 3 10 0.6984 -0.4000 17 4 0 0.3059 0.0007 17 4 1 -0.0160 -0.9428 17 4 2 -0.7379 -1.8103 17 4 3 -0.6215 -2.0641 17 4 4 -0.2530 -1.0895 17 4 5 -0.1158 -0.7247 17 4 6 0.1167 0.3938 17 4 7 -0.1556 -0.3325 17 4 8 -0.6194 -0.2787 17 4 9 0.1187 0.0690 17 5 0 -0.5501 -0.0016 17 5 1 -0.6328 0.4927 17 5 2 -0.4079 0.2444 17 5 3 -0.4497 0.1433 17 5 4 0.4398 -0.5340 17 5 5 0.7377 -0.4996 17 5 6 0.0736 -0.0104 17 5 7 0.6651 -0.3530 17 5 8 0.0689 -0.0853 17 5 9 0.7305 -0.2801 17 6 0 0.8490 -0.0000 17 6 1 1.4019 0.7289 17 6 2 0.9249 0.7002 17 6 3 0.5838 -0.2389 17 6 4 0.6182 0.1544 17 6 5 0.1892 -0.9311 17 6 6 0.1217 0.1908 17 6 7 0.3330 -0.1457 17 6 8 -0.3282 -0.0200 17 6 9 0.0309 0.0126 17 7 0 1.8713 -0.0002 17 7 1 1.2616 -0.0614 17 7 2 -0.0125 -0.4974 17 7 3 -1.5062 0.7636 17 7 4 -1.0652 0.9290 17 7 5 -0.0575 0.4675 17 7 6 -0.2096 0.5482 17 7 7 0.4694 0.2356 17 7 8 -0.3435 -0.0943 17 8 0 0.2812 -0.0006 17 8 1 1.4296 2.3095 17 8 2 2.2154 2.4121 17 8 3 1.7259 1.1630 17 8 4 1.5829 -0.0483 17 8 5 0.3495 -1.4628 17 8 6 -0.1485 -0.5031 17 8 7 0.3046 0.0046 17 9 0 3.1919 -0.0002 17 9 1 2.6138 -0.2394 17 9 2 0.0028 -0.6027 17 9 3 -2.1237 0.9811 17 9 4 -1.7167 1.4482 17 9 5 -0.7657 0.8056 17 9 6 0.2322 0.7346 17 10 0 -0.0677 -0.0004 17 10 1 0.5939 2.3802 17 10 2 1.0184 2.3739 17 10 3 0.3390 1.7635 17 10 4 0.5088 -0.0998 17 10 5 -0.3585 -0.7988 17 11 0 2.3809 0.0001 17 11 1 2.0377 0.4068 17 11 2 0.3982 0.1729 17 11 3 -0.6235 0.8661 18 0 0 -3.1490 0.0011 18 0 1 -2.3145 0.0002 18 0 2 0.2437 0.0028 18 0 3 2.9916 0.0033 18 0 4 1.7861 0.0004 18 0 5 -0.2783 0.0002 18 0 6 -1.9866 -0.0003 18 0 7 -2.7680 -0.0011 18 0 8 -0.7563 -0.0023 18 0 9 0.1771 -0.0007 18 1 0 0.2103 -0.0009 18 1 1 -0.0340 -2.7300 18 1 2 0.1084 -2.8455 18 1 3 0.5114 -1.3671 18 1 4 0.3719 0.6171 18 1 5 0.1487 2.6748 18 1 6 -0.2531 0.9623 18 1 7 -0.7399 -0.5366 18 1 8 -0.7087 -1.6955 18 1 9 -0.1423 -1.1177 18 2 0 -3.3346 -0.0007 18 2 1 -2.5356 -0.2032 18 2 2 -0.4779 0.0549 18 2 3 1.9077 -0.2989 18 2 4 1.9269 -0.0042 18 2 5 0.6715 0.8488 18 2 6 -0.6955 1.0117 18 2 7 -1.3654 0.1789 18 2 8 -0.3658 0.0531 18 2 9 0.3629 -0.7096 18 3 0 0.3587 -0.0017 18 3 1 -0.0573 -1.8742 18 3 2 -0.6206 -2.7758 18 3 3 0.0095 -2.3923 18 3 7 -0.8195 -0.1499 18 3 8 -1.0758 -0.6118 18 3 9 -0.1825 -0.3349 18 4 0 -2.1415 -0.0019 18 4 1 -1.8168 0.5440 18 4 2 -0.8334 0.3880 18 4 3 0.4045 -0.1915 18 4 6 0.4344 0.4444 18 4 7 0.3136 0.1001 18 4 8 0.0589 0.2741 18 4 9 0.7224 -0.3750 18 5 0 0.3961 -0.0002 18 5 1 0.5381 -0.2933 18 5 2 -0.7675 -0.8109 18 5 4 -0.1839 -0.7093 18 5 5 0.1597 -0.6182 18 5 6 0.5207 0.5665 18 5 7 0.1768 -0.0008 18 5 8 -0.3650 -0.0372 18 6 0 0.6653 -0.0002 18 6 1 0.1675 0.4837 18 6 2 -0.4320 -0.0548 18 6 3 -0.7772 0.3211 18 6 4 -0.0107 -0.3130 18 6 5 0.8200 -0.1175 18 6 6 0.2319 0.3548 18 6 7 0.5636 0.2716 18 6 8 -0.1102 0.1852 18 7 0 -0.3033 0.0013 18 7 1 0.6212 1.5589 18 7 2 0.7019 1.6110 18 7 3 0.7210 0.2810 18 7 4 1.0300 -0.1638 18 7 5 0.5027 -0.9064 18 7 6 0.1674 0.2052 18 7 7 0.3386 0.2427 18 8 0 2.1797 0.0003 18 8 1 1.5879 -0.4727 18 8 2 -0.4165 -1.0884 18 8 3 -1.8258 0.0965 18 8 4 -1.1771 0.6736 18 8 5 -0.0677 0.5223 18 8 6 0.2374 0.7479 18 9 0 -0.5194 0.0013 18 9 1 0.2184 2.1637 18 9 2 1.0369 2.0272 18 9 3 0.7913 1.2774 18 9 4 1.0768 -0.0820 18 9 5 0.3085 -0.7744 18 10 0 1.5106 -0.0003 18 10 1 1.4104 -0.0019 18 10 2 -0.2609 -0.3349 18 10 3 -1.3908 0.2960 19 0 1 0.0014 -1.9931 19 0 2 -0.0004 -1.6707 19 0 3 0.0001 -0.3489 19 0 4 -0.0007 0.8586 19 0 5 -0.0016 1.8708 19 0 6 -0.0014 -0.0174 19 0 7 -0.0006 -0.8726 19 0 8 0.0003 -1.1599 19 1 0 -1.8370 -0.0014 19 1 1 -1.2468 -0.2618 19 1 2 0.6233 -0.0012 19 1 3 2.2434 -0.1563 19 1 4 1.2973 0.1112 19 1 5 -0.1387 0.6765 19 1 6 -0.8510 0.6379 19 1 7 -1.0990 0.1979 19 1 8 0.2729 0.1174 19 2 0 0.3515 0.0000 19 2 1 0.0053 -2.0752 19 2 2 -0.0612 -2.4425 19 2 3 0.7766 -1.5003 19 2 4 0.6099 -0.0840 19 2 5 0.6184 1.0896 19 2 6 0.2652 0.4153 19 3 0 -3.2219 -0.0021 19 3 1 -2.5388 0.0446 19 3 2 -0.7751 0.1648 19 4 0 0.5471 -0.0003 19 4 1 0.5032 -1.4840 19 4 2 -0.6704 -2.3580 19 4 8 -0.2335 -0.0887 19 5 0 -1.7762 0.0003 19 5 1 -1.7801 0.6159 19 5 2 -1.3476 0.1308 19 5 7 0.4194 0.3238 19 6 0 0.1021 -0.0008 19 6 1 0.7487 0.3781 19 6 2 -0.1030 0.0718 19 6 6 0.8444 0.0461 19 7 0 1.3485 0.0021 19 7 1 0.7806 -0.0768 19 7 2 -0.6253 -0.7645 19 7 4 -0.5789 -0.1819 19 7 5 0.4287 0.1256 19 7 6 0.3030 0.4674 19 8 0 -0.7525 -0.0009 19 8 1 -0.0960 1.5249 19 8 2 0.3981 1.3323 19 8 3 0.5746 0.3549 19 8 4 1.0132 -0.5262 19 8 5 0.6126 -0.8884 19 9 0 1.8043 0.0005 19 9 1 1.7328 -0.2962 19 9 2 0.2423 -0.7221 19 9 3 -0.6334 -0.2911 20 0 0 -0.7741 0.0014 20 0 1 -0.4188 0.0003 20 0 2 0.9983 0.0003 20 0 3 1.6847 0.0010 20 0 4 0.5370 0.0005 20 0 5 -0.5728 0.0005 20 0 6 -0.4338 -0.0010 20 0 7 -0.2287 -0.0023 20 1 0 0.2966 0.0016 20 1 1 0.0203 -1.4667 20 1 2 -0.0306 -1.2016 20 1 3 0.3218 -0.1701 20 1 4 -0.0167 0.5845 20 1 5 -0.0025 0.8558 20 1 6 -0.1010 -0.4442 20 1 7 -0.4162 -0.7946 20 2 0 -1.8962 -0.0008 20 2 1 -1.3147 -0.0536 20 2 2 0.3649 0.4400 20 3 0 0.6013 0.0029 20 3 1 0.3437 -1.7748 20 3 2 -0.4328 -2.3574 20 4 0 -2.3695 -0.0024 20 4 1 -1.9388 0.4181 20 4 2 -0.7474 0.3443 20 5 0 0.4464 0.0009 20 5 1 0.8783 -0.6175 20 5 2 -0.3406 -1.0953 20 6 0 -0.0817 -0.0001 20 6 1 -0.3450 0.3029 20 6 2 -0.9810 -0.2747 20 7 0 0.1089 -0.0009 20 7 1 0.6649 0.9472 20 7 2 0.3446 0.9058 20 8 0 1.0855 0.0011 20 8 1 0.9564 -0.0541 20 8 2 -0.3220 -0.3840 21 0 1 -0.0006 -0.8619 21 0 2 -0.0012 -0.3742 21 0 3 -0.0003 0.5043 21 0 4 -0.0004 0.7807 21 0 5 -0.0016 0.4101 21 0 6 -0.0020 -0.8275 21 1 0 -0.7807 0.0018 21 1 1 -0.5050 0.0376 21 1 2 0.6372 0.5014 21 1 3 0.8306 0.2700 21 1 4 0.0048 0.1459 21 1 5 -0.8361 0.2866 21 1 6 -0.5554 0.0423 21 2 0 1.0656 0.0011 21 2 1 0.6364 -1.2556 21 2 2 0.1480 -1.2938 21 3 0 -2.0538 -0.0002 21 3 1 -1.5690 0.2631 21 4 0 0.4489 -0.0002 21 4 1 0.6164 -1.0940 21 5 0 -1.0951 0.0004 21 5 1 -0.9239 0.2791 21 6 0 -0.4682 -0.0011 21 6 1 0.1478 0.1709 21 7 0 0.5402 0.0009 21 7 1 0.5509 0.0555 22 0 0 -0.2260 -0.0015 22 0 1 -0.0994 -0.0018 22 0 2 0.7565 -0.0025 22 0 3 0.5730 -0.0016 22 0 4 -0.0761 -0.0005 22 1 0 0.6248 0.0015 22 1 1 0.3292 -0.6966 22 1 2 0.1782 -0.4714 22 1 3 0.2477 0.1357 22 1 4 -0.2250 0.4451 22 2 0 -1.0985 -0.0011 22 2 1 -0.8312 0.0908 22 3 0 0.7807 0.0015 22 3 1 0.6321 -0.9377 22 4 0 -1.4792 0.0008 22 4 1 -1.1568 0.0919 22 5 0 -0.1531 -0.0011 22 5 1 0.3753 -0.4046 0 0 0 0.0 0.0 ; _iucr_refine_fcf_details ; data_9BBN_Carbene_CCDC1 _computing_structure_refinement 'olex2.refine (Bourhis et al., 2015)' _shelx_refln_list_code 4 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x+1/2,y+1/2,-z 4 -x,-y,z _space_group_crystal_system orthorhombic _space_group_IT_number 18 _space_group_name_H-M_alt 'P 21 21 2' _space_group_name_Hall ' P 2 2ab' _symmetry_space_group_name_H-M 'P 21 21 2' _symmetry_space_group_name_Hall ' P 2 2ab' _symmetry_Int_Tables_number 18 _cell_length_a 19.3779(19) _cell_length_b 14.5134(16) _cell_length_c 13.085(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3680.0(8) loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_weight _refln_observed_status -22 -5 -1 78.337 66.284 22.879 66.611 o -22 -4 -2 126.507 146.650 35.032 31.599 o -22 -4 -1 107.010 101.432 30.827 40.874 o -22 -3 -3 42.363 83.646 26.352 64.731 o -22 -3 -2 102.250 105.753 30.634 41.494 o -22 -3 -1 3.465 6.675 11.189 454.939 o -22 -2 -4 85.694 65.705 23.458 62.865 o -22 -2 -3 177.804 191.020 40.974 22.696 o -22 -2 -2 58.851 99.773 32.216 45.380 o -22 -2 -1 182.712 240.134 44.910 19.472 o -22 -1 -4 18.441 74.000 29.901 61.555 o -22 -1 -3 203.861 226.438 47.842 17.718 o -22 -1 -2 5.650 10.957 6.983 710.853 o -22 -1 -1 142.251 148.888 35.032 30.300 o -21 -7 -1 11.512 63.737 23.458 94.385 o -21 -6 -3 9.703 25.233 17.053 180.469 o -21 -6 -2 11.852 -3.665 6.559 728.135 o -21 -6 -1 69.907 71.801 26.930 57.362 o -21 -5 -4 36.986 48.613 15.086 137.173 o -21 -5 -3 14.300 14.738 16.166 196.685 o -21 -5 -2 204.322 249.819 46.684 17.861 o -21 -5 -1 41.384 64.509 21.567 87.064 o -21 -4 -5 27.570 19.445 15.086 176.911 o -21 -4 -4 67.152 120.646 33.219 41.093 o -21 -4 -3 88.010 102.705 29.129 46.205 o -21 -4 -2 3.364 41.514 19.252 147.459 o -21 -4 -1 100.259 103.438 28.474 45.317 o -21 -3 -5 32.758 54.825 22.725 88.743 o -21 -3 -4 84.351 61.808 19.985 73.817 o -21 -3 -3 75.365 113.933 30.673 44.619 o -21 -3 -2 89.638 111.772 30.711 42.668 o -21 -3 -1 104.614 66.978 26.467 51.361 o -21 -2 -6 26.351 32.563 16.976 145.685 o -21 -2 -5 27.413 62.349 22.802 89.218 o -21 -2 -4 7.641 -2.816 11.189 443.924 o -21 -2 -3 31.678 79.363 29.592 58.509 o -21 -2 -2 45.780 61.191 24.191 74.829 o -21 -2 -1 32.513 73.923 28.011 63.775 o -21 -1 -6 59.279 57.757 23.381 73.226 o -21 -1 -5 0.676 -39.469 21.837 148.368 o -21 -1 -4 27.236 39.624 19.484 118.373 o -21 -1 -3 213.977 236.045 44.331 18.787 o -21 -1 -2 180.250 182.570 39.122 23.909 o -21 -1 -1 239.429 158.186 37.695 22.533 o -20 -8 -2 107.573 113.393 33.026 37.120 o -20 -8 -1 13.236 8.372 10.070 390.867 o -20 -7 -4 55.540 58.143 23.265 75.027 o -20 -7 -3 201.128 253.137 48.806 17.037 o -20 -7 -2 36.547 71.222 23.998 77.296 o -20 -7 -1 2.892 11.305 6.829 827.626 o -20 -6 -5 142.336 157.029 39.932 25.975 o -20 -6 -4 26.846 68.367 24.538 79.800 o -20 -6 -3 31.687 64.008 25.001 76.701 o -20 -6 -2 92.539 114.974 29.322 44.234 o -20 -6 -1 28.415 17.401 13.542 199.195 o -20 -5 -6 60.093 135.732 34.878 38.525 o -20 -5 -5 3.394 4.398 7.639 846.632 o -20 -5 -4 11.350 7.871 8.720 485.026 o -20 -5 -3 64.031 60.381 17.593 92.938 o -20 -5 -2 53.088 66.207 23.226 74.541 o -20 -5 -1 27.583 17.786 5.710 349.680 o -20 -4 -6 97.547 84.340 25.464 53.023 o -20 -4 -5 41.422 44.061 20.140 100.607 o -20 -4 -4 38.520 62.966 25.233 73.313 o -20 -4 -3 73.739 61.037 22.841 69.144 o -20 -4 -2 52.684 37.656 17.092 112.265 o -20 -4 -1 20.764 32.795 15.201 175.661 o -20 -3 -7 160.008 205.604 46.993 19.762 o -20 -3 -6 67.248 50.851 21.837 76.929 o -20 -3 -5 80.437 57.719 24.268 63.400 o -20 -3 -4 37.126 46.105 17.593 119.562 o -20 -3 -3 3.101 56.754 22.108 111.988 o -20 -3 -2 51.151 48.652 21.645 85.751 o -20 -3 -1 106.950 99.194 27.509 46.174 o -20 -2 -7 52.920 73.460 28.859 56.238 o -20 -2 -6 71.533 89.703 29.978 48.448 o -20 -2 -5 46.402 60.535 23.458 77.556 o -20 -2 -4 328.749 382.309 58.529 10.870 o -20 -2 -3 61.714 72.727 27.933 56.666 o -20 -2 -2 9.899 7.794 4.668 831.632 o -20 -2 -1 34.252 75.428 24.538 75.234 o -20 -1 -7 12.232 -0.386 5.440 826.636 o -20 -1 -6 103.234 82.874 27.393 48.391 o -20 -1 -5 40.600 31.985 15.356 141.215 o -20 -1 -4 5.335 1.428 8.179 751.476 o -20 -1 -3 114.633 121.919 34.068 34.724 o -20 -1 -2 125.269 111.078 28.936 40.541 o -20 -1 -1 83.641 62.489 15.303 89.288 o -19 -9 -3 145.238 168.410 41.090 24.680 o -19 -9 -2 69.751 73.885 25.233 61.523 o -19 -9 -1 31.249 56.947 24.770 79.357 o -19 -8 -5 9.609 6.096 3.279 1027.890 o -19 -8 -4 23.853 70.528 25.734 75.509 o -19 -8 -3 282.460 263.747 51.121 14.286 o -19 -8 -2 111.560 116.903 31.637 38.281 o -19 -8 -1 8.213 0.309 6.019 951.762 o -19 -7 -6 3.902 -4.244 3.395 2415.710 o -19 -7 -5 33.049 38.505 20.101 109.294 o -19 -7 -4 21.689 30.017 19.175 131.927 o -19 -7 -3 214.408 215.905 41.476 20.440 o -19 -7 -2 240.231 204.253 42.247 19.368 o -19 -7 -1 61.594 53.552 22.879 74.930 o -19 -6 -6 47.342 55.134 19.677 95.419 o -19 -6 -5 5.598 4.476 8.604 646.467 o -19 -6 -4 43.508 65.319 27.007 65.045 o -19 -6 -3 37.560 13.156 8.025 261.514 o -19 -6 -2 152.107 164.861 36.769 27.614 o -19 -6 -1 59.306 67.827 23.612 70.569 o -19 -5 -7 183.712 170.918 38.659 24.320 o -19 -5 -6 3.098 9.993 12.346 375.287 o -19 -5 -5 226.490 228.830 46.144 17.751 o -19 -5 -4 0.822 7.871 3.781 1967.820 o -19 -5 -3 405.537 363.558 56.947 10.347 o -19 -5 -2 230.698 258.885 44.369 17.909 o -19 -5 -1 109.339 122.228 29.168 41.583 o -19 -4 -8 37.778 46.491 26.081 73.378 o -19 -4 -7 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898.299 37.144 6.544 o 5 2 5 819.952 768.824 53.899 5.742 o 5 2 6 412.013 534.747 48.420 10.588 o 5 2 7 1445.560 1528.000 86.076 2.304 o 5 2 8 312.008 285.468 38.003 17.381 o 5 2 9 103.406 86.192 20.796 61.203 o 5 2 10 1735.190 1917.140 114.473 1.571 o 5 2 11 295.980 384.393 54.593 12.126 o 5 2 12 668.937 704.546 75.235 5.395 o 5 2 13 108.333 128.555 34.608 34.379 o 5 2 14 53.661 48.768 23.612 76.377 o 5 2 15 21.588 48.498 27.470 73.361 o 5 3 0 861.567 619.241 36.383 6.813 o 5 3 1 3914.480 3717.570 93.214 0.563 o 5 3 2 2161.670 1816.630 69.602 1.592 o 5 3 3 3440.740 3991.420 115.900 0.597 o 5 3 4 105.009 143.139 22.918 50.118 o 5 3 5 64.780 53.706 15.278 105.197 o 5 3 6 46.038 115.129 23.844 66.347 o 5 3 7 816.919 791.124 65.126 5.150 o 5 3 8 143.217 140.979 26.814 39.026 o 5 3 9 745.492 783.176 71.145 5.154 o 5 3 10 289.246 238.784 39.354 18.349 o 5 3 11 40.842 27.933 14.507 151.449 o 5 3 12 75.016 88.006 26.467 55.397 o 5 3 13 26.381 34.261 15.742 157.321 o 5 3 14 108.570 111.193 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409.386 372.895 53.398 10.860 o 5 11 7 132.892 121.148 30.711 36.831 o 5 11 8 407.076 302.676 49.848 12.068 o 5 11 9 10.714 20.178 10.957 328.598 o 5 11 10 59.052 46.916 20.487 87.162 o 5 11 11 12.314 0.309 12.038 351.572 o 5 12 0 50.531 79.016 22.185 76.775 o 5 12 1 100.364 225.435 37.579 28.323 o 5 12 2 56.473 57.449 19.021 92.166 o 5 12 3 350.989 422.782 54.053 11.183 o 5 12 4 455.059 513.642 59.571 8.682 o 5 12 5 21.180 33.373 13.658 195.508 o 5 12 6 61.546 49.732 19.831 87.886 o 5 12 7 26.067 55.867 23.882 86.198 o 5 12 8 131.555 194.260 42.093 24.023 o 5 12 9 106.717 72.881 20.256 63.391 o 5 12 10 7.581 -3.357 12.038 395.947 o 5 13 0 758.402 823.880 75.891 4.786 o 5 13 1 644.876 652.422 68.367 6.081 o 5 13 2 17.878 65.435 22.416 96.017 o 5 13 3 353.904 345.888 51.623 12.189 o 5 13 4 83.953 112.158 29.284 45.830 o 5 13 5 60.959 95.028 28.898 52.167 o 5 13 6 42.638 85.652 27.702 60.371 o 5 13 7 60.052 82.604 24.384 65.464 o 5 13 8 122.509 114.241 33.644 34.830 o 5 13 9 76.065 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276.054 45.141 16.659 o 7 5 9 10.832 17.246 12.655 284.320 o 7 5 10 303.992 264.325 49.848 14.222 o 7 5 11 9.784 10.494 10.610 390.905 o 7 5 12 176.979 159.575 43.598 21.847 o 7 5 13 176.098 136.272 36.267 27.396 o 7 5 14 39.862 40.550 23.689 84.070 o 7 6 0 495.694 551.916 44.717 9.932 o 7 6 1 815.759 867.131 60.960 5.190 o 7 6 2 1218.190 1294.810 72.534 3.050 o 7 6 3 776.458 705.125 55.597 6.055 o 7 6 4 902.549 871.645 65.397 4.648 o 7 6 5 630.268 550.642 53.127 7.721 o 7 6 6 308.911 313.170 43.482 15.414 o 7 6 7 637.928 613.685 62.889 6.635 o 7 6 8 2358.070 2634.920 142.599 0.960 o 7 6 9 137.743 191.097 39.701 25.472 o 7 6 10 705.047 830.131 86.617 4.430 o 7 6 11 11.689 -7.562 12.115 354.666 o 7 6 12 43.066 33.181 15.163 138.699 o 7 6 13 55.154 70.219 26.313 63.081 o 7 7 0 2.772 63.159 18.751 138.965 o 7 7 1 28.237 60.805 15.124 140.389 o 7 7 2 587.586 530.387 48.922 8.583 o 7 7 3 136.658 145.184 25.889 40.685 o 7 7 4 329.223 313.093 38.621 16.308 o 7 7 5 188.538 158.572 29.245 31.224 o 7 7 6 218.270 238.128 39.817 20.672 o 7 7 7 190.233 218.143 38.428 23.006 o 7 7 8 303.604 320.809 48.845 13.951 o 7 7 9 87.495 115.862 28.821 45.769 o 7 7 10 215.302 209.577 43.366 19.618 o 7 7 11 83.509 121.803 35.225 36.321 o 7 7 12 61.876 46.761 20.371 86.197 o 7 7 13 28.517 50.812 25.310 79.478 o 7 8 0 102.315 106.101 22.339 55.717 o 7 8 1 40.189 96.416 21.490 80.116 o 7 8 2 156.648 179.252 28.744 33.553 o 7 8 3 380.133 552.687 55.172 9.841 o 7 8 4 248.956 305.261 41.553 17.755 o 7 8 5 123.006 187.547 33.875 31.358 o 7 8 6 206.414 189.553 35.457 24.661 o 7 8 7 610.095 689.924 70.219 6.030 o 7 8 8 22.407 51.198 17.208 136.236 o 7 8 9 6.485 7.061 7.948 650.907 o 7 8 10 89.638 79.903 29.091 47.891 o 7 8 11 135.557 139.551 36.344 29.939 o 7 8 12 10.998 4.784 7.408 609.595 o 7 9 0 444.194 477.838 49.655 10.354 o 7 9 1 542.211 499.637 51.083 8.945 o 7 9 2 40.855 52.356 18.365 108.357 o 7 9 3 572.762 583.476 57.178 7.672 o 7 9 4 401.994 417.766 53.590 10.634 o 7 9 5 79.785 64.625 21.915 69.199 o 7 9 6 266.033 214.979 39.122 19.636 o 7 9 7 16.123 9.260 14.584 230.376 o 7 9 8 144.920 145.531 33.219 31.902 o 7 9 9 237.723 214.632 41.707 19.517 o 7 9 10 121.630 151.203 36.460 30.421 o 7 9 11 2.248 -18.134 16.629 248.260 o 7 9 12 38.461 27.470 10.263 202.120 o 7 10 0 253.220 203.983 34.338 22.574 o 7 10 1 28.615 5.363 10.186 284.773 o 7 10 2 136.221 128.555 27.779 39.522 o 7 10 3 291.260 271.502 39.817 17.609 o 7 10 4 62.191 73.653 33.335 44.719 o 7 10 5 421.600 389.948 51.468 10.924 o 7 10 6 734.192 659.945 68.907 5.594 o 7 10 7 3.549 -0.077 12.076 439.158 o 7 10 8 101.005 118.331 32.910 37.711 o 7 10 9 202.851 150.045 35.264 26.084 o 7 10 10 36.253 3.241 2.855 383.064 o 7 10 11 30.632 16.822 7.022 306.071 o 7 11 0 247.482 222.541 36.884 21.200 o 7 11 1 146.323 218.143 38.698 25.004 o 7 11 2 969.948 1051.440 81.871 3.617 o 7 11 3 128.562 158.109 30.827 35.235 o 7 11 4 387.018 347.701 50.620 11.874 o 7 11 5 1052.760 877.471 79.672 3.694 o 7 11 6 643.800 665.077 73.229 5.719 o 7 11 7 346.042 354.260 54.401 11.656 o 7 11 8 46.927 64.355 19.793 92.256 o 7 11 9 39.593 56.253 21.915 88.619 o 7 11 10 54.199 55.520 18.481 96.749 o 7 12 0 14.552 91.169 24.847 78.844 o 7 12 1 208.451 195.997 35.997 24.065 o 7 12 2 105.466 52.780 20.140 67.287 o 7 12 3 78.485 97.651 26.429 53.661 o 7 12 4 377.049 409.818 56.793 10.437 o 7 12 5 130.731 180.294 36.730 28.528 o 7 12 6 203.720 220.265 41.900 20.549 o 7 12 7 71.327 80.135 25.541 59.466 o 7 12 8 25.924 20.140 11.459 237.345 o 7 12 9 14.888 32.602 19.561 134.764 o 7 12 10 116.228 183.072 42.672 24.620 o 7 13 0 126.835 112.775 28.821 40.384 o 7 13 1 212.153 195.765 38.736 22.349 o 7 13 2 34.081 57.564 24.847 77.686 o 7 13 3 94.784 116.286 29.168 44.051 o 7 13 4 45.885 65.589 24.924 71.268 o 7 13 5 53.885 102.088 27.779 55.490 o 7 13 6 185.255 267.528 49.038 17.171 o 7 13 7 93.254 82.257 28.126 48.868 o 7 13 8 99.767 106.602 29.940 42.822 o 7 13 9 12.617 17.246 16.590 190.436 o 7 14 0 42.399 42.633 19.330 105.165 o 7 14 1 178.382 157.685 33.836 28.412 o 7 14 2 40.078 76.277 23.767 75.715 o 7 14 3 22.440 91.980 29.747 58.771 o 7 14 4 55.852 67.827 19.600 87.040 o 7 14 5 86.258 136.117 32.910 38.360 o 7 14 6 182.752 227.017 46.144 19.097 o 7 14 7 10.438 27.470 20.526 133.400 o 7 15 0 404.313 350.209 53.899 10.985 o 7 15 1 56.806 74.656 22.879 72.688 o 7 15 2 1.686 25.811 14.623 253.102 o 7 15 3 1.402 -2.006 5.787 1783.230 o 7 15 4 28.543 22.030 20.526 117.293 o 7 15 5 16.753 21.104 14.893 203.965 o 7 15 6 176.208 117.135 32.177 31.458 o 7 16 0 37.194 23.188 17.401 133.557 o 7 16 1 305.001 281.147 48.845 14.317 o 7 16 2 97.132 142.290 35.495 33.755 o 7 16 3 18.857 30.673 12.346 227.845 o 8 0 0 1832.550 2511.170 114.743 1.333 o 8 0 1 4039.550 4334.440 75.686 0.510 o 8 0 2 102.796 88.789 10.090 85.120 o 8 0 3 5643.360 6043.270 85.028 0.282 o 8 0 4 514.676 457.410 20.802 13.294 o 8 0 5 297.917 382.800 26.767 19.687 o 8 0 6 187.115 190.122 23.998 34.093 o 8 0 7 925.875 847.664 44.628 5.407 o 8 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1536.270 39.617 2.590 o 8 2 5 167.355 215.417 14.408 42.465 o 8 2 6 234.450 211.240 22.986 29.604 o 8 2 7 213.641 182.454 21.160 33.891 o 8 2 8 155.733 105.830 24.847 42.036 o 8 2 9 212.710 195.727 36.267 23.701 o 8 2 10 120.883 104.750 26.004 45.840 o 8 2 11 9.963 24.268 10.649 329.480 o 8 2 12 24.982 78.167 26.197 71.822 o 8 2 13 49.795 55.442 21.567 85.046 o 8 2 14 35.234 44.022 21.837 95.134 o 8 3 0 1628.020 1627.520 61.635 2.274 o 8 3 1 1563.930 1902.860 76.508 2.052 o 8 3 2 1657.940 1853.170 77.318 1.972 o 8 3 3 1132.220 1209.350 67.634 3.424 o 8 3 4 1857.920 1930.180 92.983 1.640 o 8 3 5 1410.970 1304.380 80.212 2.585 o 8 3 6 286.049 261.277 37.695 18.699 o 8 3 7 72.762 91.748 22.802 64.569 o 8 3 8 544.526 612.567 64.162 7.120 o 8 3 9 202.688 224.470 40.280 21.327 o 8 3 10 512.074 614.997 70.605 6.728 o 8 3 11 179.248 177.516 38.042 24.781 o 8 3 12 79.197 58.606 20.178 75.974 o 8 3 13 183.893 205.025 46.916 19.041 o 8 3 14 2.616 -17.941 14.352 326.633 o 8 4 0 2603.610 2409.100 85.228 1.105 o 8 4 1 3556.210 3661.160 108.763 0.614 o 8 4 2 690.410 758.792 51.777 6.641 o 8 4 3 60.076 55.674 16.590 101.754 o 8 4 4 276.328 346.968 39.276 17.116 o 8 4 5 1790.280 1913.710 101.857 1.632 o 8 4 6 321.361 234.579 35.611 18.701 o 8 4 7 244.972 269.187 42.325 18.132 o 8 4 8 347.944 364.523 51.777 12.104 o 8 4 9 296.468 308.232 48.575 14.291 o 8 4 10 107.507 130.137 35.303 33.595 o 8 4 11 183.933 227.171 48.806 17.849 o 8 4 12 9.912 26.197 18.056 164.433 o 8 4 13 7.261 2.508 15.394 257.773 o 8 4 14 279.949 314.713 64.972 10.547 o 8 5 0 0.097 37.000 9.761 392.217 o 8 5 1 314.592 569.509 47.379 11.912 o 8 5 2 513.480 585.598 58.413 8.009 o 8 5 3 254.991 308.039 35.727 19.720 o 8 5 4 164.672 204.446 30.518 30.288 o 8 5 5 526.934 637.259 58.182 7.722 o 8 5 6 466.174 463.524 52.202 9.808 o 8 5 7 26.505 28.049 12.771 201.399 o 8 5 8 893.324 806.788 78.784 4.249 o 8 5 9 772.730 891.360 85.382 4.203 o 8 5 10 164.389 222.580 43.482 21.170 o 8 5 11 43.403 22.262 8.411 216.344 o 8 5 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9.915 o 8 7 11 477.284 487.098 70.644 7.326 o 8 7 12 52.464 41.784 19.291 98.424 o 8 7 13 18.522 21.066 14.275 209.798 o 8 8 0 47.783 258.268 35.380 33.134 o 8 8 1 174.075 235.852 34.917 25.501 o 8 8 2 267.054 317.376 42.325 16.791 o 8 8 3 1319.960 1403.540 88.121 2.523 o 8 8 4 1131.850 1027.520 77.048 3.407 o 8 8 5 379.755 354.916 46.839 12.715 o 8 8 6 513.725 397.896 50.774 9.838 o 8 8 7 16.035 37.540 14.623 188.963 o 8 8 8 127.604 106.293 29.052 40.394 o 8 8 9 17.766 27.972 18.751 142.406 o 8 8 10 64.035 26.236 9.568 154.161 o 8 8 11 26.569 50.658 22.609 94.109 o 8 8 12 16.505 -11.883 17.902 179.386 o 8 9 0 152.751 102.127 24.345 43.376 o 8 9 1 148.533 137.699 26.583 38.837 o 8 9 2 501.571 498.287 54.131 8.994 o 8 9 3 962.505 876.699 76.585 4.031 o 8 9 4 1115.010 949.233 75.852 3.567 o 8 9 5 164.431 442.188 52.433 14.459 o 8 9 6 253.874 186.776 34.878 22.678 o 8 9 7 365.845 380.110 51.044 11.864 o 8 9 8 74.398 91.980 24.538 59.629 o 8 9 9 135.002 132.259 31.714 34.916 o 8 9 10 145.145 131.102 34.068 31.663 o 8 9 11 56.514 69.023 26.390 62.640 o 8 9 12 22.338 21.066 19.137 136.940 o 8 10 0 115.795 76.855 20.796 59.081 o 8 10 1 443.632 337.245 44.408 12.262 o 8 10 2 193.882 168.642 31.097 29.000 o 8 10 3 1172.510 1235.700 90.552 2.827 o 8 10 4 151.169 116.672 28.821 37.240 o 8 10 5 215.789 196.575 37.965 22.588 o 8 10 6 56.928 73.113 23.844 69.717 o 8 10 7 224.053 217.101 44.254 18.802 o 8 10 8 343.479 295.268 50.349 13.069 o 8 10 9 55.699 41.669 17.748 104.379 o 8 10 10 13.529 30.518 15.703 186.928 o 8 10 11 96.046 82.913 29.824 45.293 o 8 11 0 115.192 183.689 33.836 32.189 o 8 11 1 323.436 325.787 46.569 14.108 o 8 11 2 183.635 151.049 29.052 32.118 o 8 11 3 191.230 162.585 32.293 28.522 o 8 11 4 94.215 100.660 26.004 50.984 o 8 11 5 21.344 13.041 17.709 160.526 o 8 11 6 123.126 137.391 34.415 32.886 o 8 11 7 138.942 136.272 33.219 32.799 o 8 11 8 226.434 227.364 45.411 18.076 o 8 11 9 113.610 87.350 26.699 47.400 o 8 11 10 157.719 126.318 36.383 28.820 o 8 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51.113 1.900 o 9 1 3 2478.630 2540.890 64.837 1.189 o 9 1 4 311.305 331.228 18.243 22.651 o 9 1 5 879.883 943.237 41.264 5.519 o 9 1 6 69.367 170.518 20.482 59.617 o 9 1 7 537.904 586.170 39.562 9.797 o 9 1 8 294.872 325.885 30.601 19.721 o 9 1 9 227.765 259.630 29.149 25.070 o 9 1 10 824.796 944.306 56.894 5.163 o 9 1 11 146.416 219.645 28.337 32.990 o 9 1 12 12.140 21.066 15.664 202.984 o 9 1 13 11.377 51.237 24.152 94.091 o 9 1 14 11.621 25.657 8.990 365.850 o 9 2 0 1036.370 1191.000 35.195 4.447 o 9 2 1 1207.600 1005.640 32.298 4.214 o 9 2 2 184.971 229.884 18.613 36.167 o 9 2 3 2315.300 2245.860 59.014 1.380 o 9 2 4 1262.790 1229.100 37.221 3.625 o 9 2 5 98.082 120.107 11.345 77.165 o 9 2 6 31.034 89.662 19.330 96.556 o 9 2 7 1153.270 1214.440 57.843 3.577 o 9 2 8 17.703 41.096 11.191 233.648 o 9 2 9 148.922 88.854 25.811 43.005 o 9 2 10 82.495 122.768 30.017 44.014 o 9 2 11 28.272 40.472 18.018 128.613 o 9 2 12 54.388 92.713 29.284 52.842 o 9 2 13 100.830 82.334 29.245 45.587 o 9 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23.921 59.303 o 9 8 9 639.537 636.295 73.306 5.800 o 9 8 10 72.943 88.816 27.933 52.497 o 9 8 11 154.371 104.712 33.451 32.597 o 9 8 12 41.303 49.655 17.323 115.689 o 9 9 0 348.081 380.226 47.186 12.974 o 9 9 1 617.104 627.536 59.031 7.031 o 9 9 2 371.722 421.277 48.227 12.016 o 9 9 3 27.615 138.278 41.707 32.236 o 9 9 4 1375.390 1303.840 92.404 2.448 o 9 9 5 298.815 274.820 43.791 16.038 o 9 9 6 874.939 855.016 78.784 4.232 o 9 9 7 453.740 394.115 56.137 9.759 o 9 9 8 71.917 105.522 26.699 53.643 o 9 9 9 85.100 118.100 33.335 38.922 o 9 9 10 93.950 66.284 22.262 63.409 o 9 9 11 132.405 118.755 34.608 32.688 o 9 10 0 11.726 31.136 11.999 262.515 o 9 10 1 27.963 66.284 19.908 103.662 o 9 10 2 166.190 142.175 27.509 35.611 o 9 10 3 179.461 184.808 33.644 27.582 o 9 10 4 65.752 85.498 22.995 67.250 o 9 10 5 19.870 69.371 20.024 107.986 o 9 10 6 320.228 329.799 51.044 13.005 o 9 10 7 3.795 10.919 11.922 385.277 o 9 10 8 107.092 47.109 19.561 69.209 o 9 10 9 31.111 14.970 10.494 244.431 o 9 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475.706 36.953 11.215 o 10 0 9 423.317 582.147 43.459 10.849 o 10 0 10 128.340 146.966 21.504 47.471 o 10 0 11 112.963 135.012 20.948 52.511 o 10 0 12 32.606 18.751 14.970 168.914 o 10 0 13 2.752 -32.910 22.030 143.002 o 10 0 14 0.015 -31.136 22.185 144.674 o 10 1 0 1175.420 1139.560 46.742 3.843 o 10 1 1 854.543 871.304 26.489 6.371 o 10 1 2 163.080 150.877 15.137 48.134 o 10 1 3 197.235 275.922 20.539 31.404 o 10 1 4 1802.140 1856.880 46.094 2.031 o 10 1 5 126.162 150.902 13.206 58.810 o 10 1 6 93.280 80.020 14.954 80.561 o 10 1 7 270.245 307.063 29.275 21.623 o 10 1 8 101.881 152.460 22.300 50.812 o 10 1 9 260.644 250.453 29.723 23.258 o 10 1 10 742.968 602.632 47.602 7.091 o 10 1 11 374.297 334.250 35.266 15.718 o 10 1 12 29.558 26.429 16.629 149.036 o 10 1 13 5.134 -13.851 19.330 179.256 o 10 2 0 98.664 102.330 9.126 85.559 o 10 2 1 1738.280 2010.670 163.588 1.188 o 10 2 2 2637.790 2704.940 93.118 1.009 o 10 2 3 141.391 238.790 19.485 40.403 o 10 2 4 772.317 796.808 35.042 6.880 o 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o 10 4 3 81.523 100.622 19.985 67.692 o 10 4 4 552.945 531.699 49.886 8.812 o 10 4 5 800.527 930.907 72.380 4.614 o 10 4 6 61.978 78.977 20.294 78.629 o 10 4 7 1292.630 1216.990 92.520 2.620 o 10 4 8 1087.550 1151.900 94.333 2.954 o 10 4 9 334.534 255.297 46.183 14.718 o 10 4 10 69.701 76.508 23.959 64.657 o 10 4 11 170.360 236.739 54.285 15.825 o 10 4 12 40.822 33.103 22.185 93.152 o 10 4 13 60.727 82.218 27.316 57.342 o 10 5 0 0.366 1.080 4.591 2821.240 o 10 5 1 373.636 434.279 41.900 13.134 o 10 5 2 167.055 159.267 24.577 37.427 o 10 5 3 55.223 141.364 24.847 57.498 o 10 5 4 949.345 884.223 67.750 4.376 o 10 5 5 1956.950 1814.320 100.969 1.555 o 10 5 6 350.060 394.694 49.192 12.380 o 10 5 7 192.161 190.325 36.074 25.023 o 10 5 8 175.563 164.128 34.801 27.655 o 10 5 9 207.796 215.095 43.328 19.800 o 10 5 10 331.786 268.531 49.964 13.617 o 10 5 11 207.525 190.518 44.447 19.694 o 10 5 12 21.508 28.049 21.181 115.760 o 10 5 13 13.565 2.546 5.980 681.665 o 10 6 0 9.516 14.661 5.749 640.766 o 10 6 1 691.421 583.360 50.658 7.324 o 10 6 2 40.228 45.758 15.973 128.161 o 10 6 3 175.810 337.747 47.495 17.108 o 10 6 4 97.035 84.996 22.493 59.364 o 10 6 5 154.336 174.043 31.985 31.096 o 10 6 6 883.627 868.365 75.929 4.299 o 10 6 7 722.748 795.793 75.891 4.966 o 10 6 8 8.172 5.787 4.784 962.204 o 10 6 9 340.048 301.866 48.305 13.574 o 10 6 10 72.991 105.522 32.370 42.688 o 10 6 11 153.133 147.923 37.926 27.163 o 10 6 12 1.483 6.829 3.550 2026.540 o 10 7 0 120.587 135.886 23.612 46.850 o 10 7 1 283.345 336.204 38.196 17.418 o 10 7 2 657.970 629.388 56.330 6.964 o 10 7 3 490.757 486.133 50.427 9.644 o 10 7 4 132.509 147.653 28.898 37.509 o 10 7 5 60.322 114.473 25.541 57.912 o 10 7 6 91.074 88.700 22.686 60.026 o 10 7 7 876.968 716.352 70.181 4.822 o 10 7 8 808.358 917.364 85.884 4.050 o 10 7 9 34.005 100.236 29.901 54.801 o 10 7 10 135.300 165.941 40.550 25.650 o 10 7 11 39.882 51.893 19.985 99.824 o 10 7 12 71.161 69.100 27.548 55.871 o 10 8 0 74.641 149.775 26.583 48.976 o 10 8 1 508.008 522.323 51.970 9.072 o 10 8 2 265.919 309.852 39.971 17.742 o 10 8 3 373.672 359.083 43.906 13.426 o 10 8 4 92.012 95.915 24.615 54.700 o 10 8 5 179.365 139.474 28.898 33.151 o 10 8 6 303.934 342.724 51.083 13.166 o 10 8 7 98.075 98.886 25.657 51.054 o 10 8 8 232.319 260.699 45.527 17.382 o 10 8 9 9.864 2.816 13.812 293.223 o 10 8 10 137.843 129.674 30.403 36.206 o 10 8 11 21.212 26.004 17.863 148.568 o 10 8 12 94.362 100.120 28.589 46.325 o 10 9 0 42.337 37.579 12.694 157.592 o 10 9 1 146.954 173.002 32.023 31.706 o 10 9 2 237.736 236.894 36.691 21.398 o 10 9 3 367.634 449.712 53.398 10.904 o 10 9 4 345.631 361.591 51.854 12.146 o 10 9 5 112.898 90.938 24.075 51.789 o 10 9 6 135.381 92.018 29.014 40.363 o 10 9 7 270.725 268.724 47.456 15.616 o 10 9 8 33.474 57.950 21.104 95.889 o 10 9 9 240.037 249.394 47.109 16.728 o 10 9 10 18.171 34.762 18.674 138.192 o 10 9 11 15.103 17.130 7.909 412.327 o 10 10 0 15.724 68.406 20.912 105.779 o 10 10 1 221.278 238.321 38.158 21.350 o 10 10 2 56.100 44.292 17.169 106.187 o 10 10 3 342.138 391.376 51.700 12.004 o 10 10 4 501.812 459.782 56.330 8.906 o 10 10 5 367.900 314.250 48.845 12.832 o 10 10 6 83.003 108.801 28.975 46.795 o 10 10 7 338.031 306.881 49.694 13.222 o 10 10 8 12.589 24.538 15.549 199.183 o 10 10 9 44.712 73.344 24.500 71.798 o 10 10 10 136.604 163.819 38.621 27.128 o 10 11 0 13.789 155.640 31.058 50.578 o 10 11 1 97.535 101.471 25.117 51.924 o 10 11 2 16.347 18.635 11.343 286.860 o 10 11 3 215.590 257.419 42.633 19.133 o 10 11 4 26.558 7.138 7.253 368.278 o 10 11 5 184.533 180.718 36.267 25.582 o 10 11 6 65.391 36.537 12.655 126.430 o 10 11 7 106.555 146.534 38.389 29.828 o 10 11 8 43.934 72.496 30.596 53.882 o 10 11 9 47.665 70.296 24.345 71.823 o 10 12 0 15.989 17.439 10.301 321.959 o 10 12 1 309.380 263.438 45.488 15.394 o 10 12 2 31.376 78.823 24.422 76.162 o 10 12 3 62.618 55.327 20.526 83.004 o 10 12 4 51.978 48.613 17.825 104.150 o 10 12 5 41.310 70.335 26.197 67.611 o 10 12 6 43.480 64.586 28.281 61.219 o 10 12 7 1.421 1.929 10.880 550.586 o 10 12 8 9.990 17.671 6.675 539.843 o 10 13 0 6.033 10.649 6.906 710.910 o 10 13 1 116.472 140.593 31.792 36.272 o 10 13 2 106.297 114.048 28.088 44.192 o 10 13 3 30.390 48.999 20.641 103.777 o 10 13 4 49.059 32.023 15.896 126.511 o 10 13 5 31.335 4.784 4.707 395.485 o 10 13 6 12.104 0.617 11.883 358.567 o 10 13 7 22.969 69.718 30.866 58.028 o 10 14 0 8.402 5.942 3.472 1102.220 o 10 14 1 56.520 83.569 27.548 57.594 o 10 14 2 24.766 35.071 12.616 198.808 o 10 14 3 57.330 80.482 25.078 64.577 o 10 14 4 49.142 57.063 22.918 79.284 o 10 14 5 34.395 23.535 13.620 176.628 o 10 14 6 118.392 124.118 32.023 36.656 o 10 15 0 33.331 56.947 21.760 92.774 o 10 15 1 22.756 25.040 15.356 177.547 o 10 15 2 7.083 39.276 18.944 147.304 o 10 15 3 17.655 1.852 8.257 461.237 o 11 0 1 714.535 767.123 26.559 7.874 o 11 0 2 54.022 52.949 7.684 159.595 o 11 0 3 412.141 514.866 31.276 13.493 o 11 0 4 11.442 8.167 4.344 784.441 o 11 0 5 16.307 52.733 7.591 275.555 o 11 0 6 57.289 55.280 13.025 122.960 o 11 0 7 1655.900 1598.190 67.824 2.201 o 11 0 8 1516.430 1668.200 113.508 1.836 o 11 0 9 126.081 98.166 17.574 59.507 o 11 0 10 39.205 16.848 14.642 162.147 o 11 0 11 152.494 105.114 19.999 48.906 o 11 0 12 12.219 21.606 7.331 442.750 o 11 0 13 53.962 25.966 11.999 153.647 o 11 1 0 185.007 239.563 14.368 38.298 o 11 1 1 1811.810 1719.510 79.325 1.870 o 11 1 2 573.594 573.316 25.860 10.722 o 11 1 3 1045.170 941.804 46.501 4.621 o 11 1 4 287.164 263.269 18.041 26.110 o 11 1 5 866.522 884.270 33.339 6.033 o 11 1 6 291.075 308.922 28.897 20.805 o 11 1 7 24.407 45.202 15.922 149.826 o 11 1 8 228.728 230.715 27.822 26.600 o 11 1 9 149.260 168.399 25.013 38.573 o 11 1 10 212.011 274.584 62.599 12.162 o 11 1 11 25.485 30.805 14.275 179.827 o 11 1 12 11.334 -5.903 12.423 344.500 o 11 1 13 91.322 51.005 18.712 77.098 o 11 2 0 159.331 222.386 39.836 23.513 o 11 2 1 226.660 241.492 21.174 30.010 o 11 2 2 848.740 868.398 42.944 5.820 o 11 2 3 1176.440 1335.590 41.977 3.646 o 11 2 4 222.610 319.584 20.631 27.594 o 11 2 5 31.825 75.582 9.673 167.047 o 11 2 6 231.628 174.082 23.540 31.036 o 11 2 7 1053.100 1156.730 61.480 3.839 o 11 2 8 358.779 328.410 32.766 16.866 o 11 2 9 137.823 148.772 34.454 31.176 o 11 2 10 272.258 234.038 44.562 17.008 o 11 2 11 110.900 95.259 29.168 43.235 o 11 2 12 53.711 65.705 24.114 71.266 o 11 2 13 86.118 95.568 33.798 39.434 o 11 3 0 219.498 304.335 30.981 23.398 o 11 3 1 75.442 208.960 29.438 39.988 o 11 3 2 1444.350 1686.610 79.865 2.283 o 11 3 3 275.668 283.694 34.106 20.024 o 11 3 4 74.056 62.039 11.170 111.756 o 11 3 5 449.901 508.339 31.110 12.818 o 11 3 6 49.430 62.040 19.908 90.918 o 11 3 7 114.426 157.453 32.255 35.100 o 11 3 8 373.939 350.170 53.089 11.555 o 11 3 9 16.376 37.772 17.863 147.035 o 11 3 10 94.987 91.902 28.396 47.238 o 11 3 11 121.965 129.674 36.190 31.475 o 11 3 12 38.919 11.150 13.079 187.060 o 11 3 13 5.618 13.735 17.208 201.266 o 11 4 0 230.919 229.254 28.203 26.297 o 11 4 1 595.522 606.085 47.147 8.323 o 11 4 2 732.861 669.282 51.931 6.646 o 11 4 3 633.128 731.746 57.796 6.683 o 11 4 4 121.136 190.248 29.747 35.512 o 11 4 5 8.845 43.520 14.661 198.941 o 11 4 6 88.767 95.298 25.696 53.253 o 11 4 7 43.505 45.835 23.149 83.505 o 11 4 8 853.112 895.257 84.880 4.000 o 11 4 9 139.954 146.997 37.232 28.594 o 11 4 10 165.602 215.481 46.993 19.419 o 11 4 11 0.022 -21.490 7.639 1218.180 o 11 4 12 46.848 22.763 2.739 250.722 o 11 4 13 47.741 48.806 25.117 72.949 o 11 5 0 174.192 214.940 29.785 29.710 o 11 5 1 624.051 653.965 51.353 7.514 o 11 5 2 481.673 573.406 55.867 8.618 o 11 5 3 1072.300 1085.000 73.615 3.567 o 11 5 4 244.934 293.648 38.929 19.075 o 11 5 5 522.327 512.562 54.593 8.671 o 11 5 6 24.378 44.871 16.938 140.263 o 11 5 7 238.056 258.731 42.170 18.574 o 11 5 8 522.129 512.716 64.393 7.594 o 11 5 9 154.637 181.606 39.624 24.888 o 11 5 10 195.021 215.018 47.880 18.114 o 11 5 11 119.766 114.589 35.457 33.037 o 11 5 12 17.033 13.079 11.960 281.746 o 11 6 0 209.501 152.090 26.081 32.167 o 11 6 1 736.587 732.132 57.912 6.065 o 11 6 2 64.723 75.852 22.609 70.431 o 11 6 3 721.571 684.175 60.072 6.146 o 11 6 4 171.982 272.158 41.321 21.063 o 11 6 5 244.328 232.109 37.772 20.725 o 11 6 6 199.878 190.132 33.605 26.172 o 11 6 7 83.888 121.148 29.901 44.118 o 11 6 8 249.546 235.543 42.942 18.265 o 11 6 9 126.973 165.247 37.502 28.617 o 11 6 10 90.346 64.741 25.310 57.199 o 11 6 11 79.464 98.924 29.207 47.788 o 11 6 12 45.035 51.970 24.461 75.914 o 11 7 0 102.320 80.444 18.519 67.644 o 11 7 1 69.786 82.064 18.712 79.805 o 11 7 2 924.821 885.110 68.290 4.435 o 11 7 3 516.367 503.341 54.941 8.730 o 11 7 4 282.506 302.059 42.594 16.491 o 11 7 5 901.812 915.937 80.212 4.016 o 11 7 6 523.577 662.839 68.252 6.729 o 11 7 7 16.716 54.324 24.075 90.574 o 11 7 8 148.974 263.014 44.871 20.255 o 11 7 9 154.536 176.551 37.347 26.666 o 11 7 10 18.551 -0.231 6.829 536.565 o 11 7 11 13.757 38.621 22.069 110.962 o 11 7 12 23.190 48.729 22.108 99.855 o 11 8 0 4.331 11.266 9.221 543.492 o 11 8 1 1179.000 1127.600 78.360 3.172 o 11 8 2 565.176 437.752 49.385 9.225 o 11 8 3 190.369 186.351 37.579 24.276 o 11 8 4 230.806 277.482 43.983 17.785 o 11 8 5 662.407 640.731 66.747 6.135 o 11 8 6 439.731 360.896 51.353 10.896 o 11 8 7 225.900 220.226 39.778 20.742 o 11 8 8 71.916 59.301 17.902 87.394 o 11 8 9 7.088 -8.449 15.124 272.417 o 11 8 10 33.225 53.127 22.648 89.342 o 11 8 11 68.689 25.619 19.754 91.014 o 11 9 0 2146.680 2277.960 118.177 1.216 o 11 9 1 197.664 181.065 34.184 26.196 o 11 9 2 30.218 58.220 18.404 114.750 o 11 9 3 1792.340 1562.460 100.506 1.779 o 11 9 4 861.055 768.129 73.383 4.642 o 11 9 5 200.479 186.853 35.843 24.814 o 11 9 6 516.686 522.478 63.583 7.683 o 11 9 7 102.298 116.363 29.091 43.075 o 11 9 8 44.795 31.020 19.484 106.871 o 11 9 9 33.395 57.834 24.230 80.589 o 11 9 10 9.498 11.613 13.658 276.638 o 11 10 0 2.538 -4.668 8.257 891.954 o 11 10 1 84.355 115.013 26.159 51.218 o 11 10 2 158.150 185.232 35.303 27.718 o 11 10 3 57.334 93.098 22.378 70.716 o 11 10 4 116.614 76.277 22.918 54.737 o 11 10 5 562.810 587.295 66.940 6.835 o 11 10 6 342.750 330.185 49.655 12.943 o 11 10 7 48.497 18.481 4.784 239.775 o 11 10 8 6.773 -4.283 9.684 569.742 o 11 10 9 45.967 50.234 25.696 71.190 o 11 10 10 6.044 1.698 14.005 312.454 o 11 11 0 575.083 631.356 65.859 6.720 o 11 11 1 24.033 9.800 6.598 398.715 o 11 11 2 225.405 223.776 39.508 20.822 o 11 11 3 157.991 177.207 37.656 26.219 o 11 11 4 7.716 24.538 13.620 255.892 o 11 11 5 223.658 242.835 43.945 18.542 o 11 11 6 42.157 37.695 21.452 94.909 o 11 11 7 87.440 61.808 23.072 63.938 o 11 11 8 19.321 34.685 16.166 164.361 o 11 11 9 122.486 105.715 38.891 29.655 o 11 12 0 2.741 -0.694 9.144 740.170 o 11 12 1 53.446 83.260 26.120 62.286 o 11 12 2 453.019 373.165 54.053 10.207 o 11 12 3 172.459 190.827 37.810 24.940 o 11 12 4 86.209 71.415 22.763 63.676 o 11 12 5 90.424 122.884 29.515 43.656 o 11 12 6 5.802 23.728 19.908 148.899 o 11 12 7 55.996 101.741 32.332 45.445 o 11 12 8 66.937 115.283 35.958 37.339 o 11 13 0 53.454 47.996 17.169 106.823 o 11 13 1 172.036 241.485 43.366 20.589 o 11 13 2 262.282 239.594 45.797 16.755 o 11 13 3 213.669 215.326 42.247 20.105 o 11 13 4 52.051 70.605 25.657 65.935 o 11 13 5 2.377 15.394 8.411 607.369 o 11 13 6 52.139 40.395 18.172 105.262 o 11 13 7 36.182 57.526 21.143 94.120 o 11 14 0 69.402 88.662 28.126 52.811 o 11 14 1 19.380 7.138 8.488 398.250 o 11 14 2 45.255 76.469 23.921 73.081 o 11 14 3 64.716 53.243 21.490 78.789 o 11 14 4 5.045 4.977 5.054 1181.500 o 11 14 5 22.086 79.479 29.978 59.699 o 11 15 0 50.331 48.266 22.532 82.365 o 11 15 1 26.100 33.566 16.089 154.582 o 11 15 2 114.826 170.764 40.048 27.053 o 12 0 0 1301.720 1283.050 76.469 2.837 o 12 0 1 175.647 153.205 11.225 48.849 o 12 0 2 52.331 54.505 10.574 144.044 o 12 0 3 12.180 138.736 18.594 96.476 o 12 0 4 108.854 72.987 9.998 86.335 o 12 0 5 30.084 26.163 12.751 194.677 o 12 0 6 19.214 67.760 14.748 151.882 o 12 0 7 524.130 509.052 40.005 10.422 o 12 0 8 932.106 1149.290 61.342 4.216 o 12 0 9 64.958 37.456 19.657 90.182 o 12 0 10 0.392 19.505 8.160 627.837 o 12 0 11 0.708 4.990 12.925 391.754 o 12 0 12 26.868 32.486 16.590 148.927 o 12 0 13 5.523 -6.019 9.298 636.459 o 12 1 0 609.582 638.976 26.757 9.700 o 12 1 1 340.837 354.245 24.704 19.136 o 12 1 2 156.221 238.218 21.468 36.862 o 12 1 3 524.340 530.140 39.296 10.362 o 12 1 4 294.422 261.580 19.110 25.330 o 12 1 5 280.370 353.260 32.169 19.228 o 12 1 6 105.444 106.121 17.862 63.854 o 12 1 7 86.632 123.115 21.211 59.839 o 12 1 8 77.911 67.363 13.791 96.701 o 12 1 9 673.158 725.717 53.821 6.726 o 12 1 10 415.877 419.589 41.134 12.638 o 12 1 11 96.911 112.808 20.289 60.372 o 12 1 12 74.047 54.092 22.956 69.891 o 12 1 13 26.410 1.235 9.954 316.316 o 12 2 0 214.367 206.729 15.818 35.882 o 12 2 1 508.613 629.865 34.998 10.380 o 12 2 2 225.928 281.836 24.841 26.682 o 12 2 3 33.045 38.810 9.681 208.248 o 12 2 4 169.611 174.690 16.154 43.934 o 12 2 5 533.031 507.914 38.427 10.498 o 12 2 6 8.580 44.465 11.395 260.052 o 12 2 7 223.503 217.429 26.900 27.923 o 12 2 8 398.676 333.395 34.949 15.181 o 12 2 9 281.642 290.445 49.578 14.487 o 12 2 10 266.476 187.277 40.087 19.702 o 12 2 11 119.816 106.988 30.518 39.367 o 12 2 12 47.869 33.528 20.217 99.350 o 12 2 13 21.932 17.979 20.410 126.918 o 12 3 0 22.379 137.503 16.047 101.962 o 12 3 1 151.986 225.769 20.741 38.750 o 12 3 2 770.133 762.265 55.481 5.940 o 12 3 3 631.339 653.618 53.552 7.283 o 12 3 4 565.304 645.631 56.677 7.539 o 12 3 5 1003.470 1016.060 76.508 3.740 o 12 3 6 156.339 169.992 34.492 28.988 o 12 3 7 3.652 12.925 10.610 447.126 o 12 3 8 33.015 55.056 23.111 86.636 o 12 3 9 224.435 239.710 45.102 18.081 o 12 3 10 15.262 26.853 14.352 209.508 o 12 3 11 8.622 -3.395 9.105 580.465 o 12 3 12 5.495 32.177 19.484 148.377 o 12 4 0 170.838 191.776 19.820 39.309 o 12 4 1 463.428 502.801 44.601 10.680 o 12 4 2 25.893 58.182 22.956 90.418 o 12 4 3 336.361 317.028 37.888 16.270 o 12 4 4 1391.380 1305.810 82.527 2.577 o 12 4 5 653.673 629.736 60.535 6.670 o 12 4 6 521.561 542.154 60.342 7.914 o 12 4 7 75.634 127.166 31.058 42.988 o 12 4 8 221.502 231.531 44.717 18.455 o 12 4 9 191.641 293.223 50.812 16.012 o 12 4 10 113.505 63.082 19.831 63.780 o 12 4 11 99.232 112.659 36.769 33.401 o 12 4 12 69.182 89.317 34.531 40.686 o 12 5 0 2.068 13.195 5.672 987.178 o 12 5 1 887.379 860.147 61.693 4.877 o 12 5 2 1439.490 1412.330 82.025 2.441 o 12 5 3 133.025 128.324 24.731 43.877 o 12 5 4 16.424 23.226 15.549 191.136 o 12 5 5 818.684 689.306 64.625 5.387 o 12 5 6 766.883 725.110 69.949 5.249 o 12 5 7 39.745 60.342 22.300 85.639 o 12 5 8 53.567 124.890 31.367 45.852 o 12 5 9 39.034 45.758 19.561 105.148 o 12 5 10 156.160 145.068 37.772 27.187 o 12 5 11 46.700 57.642 23.226 78.980 o 12 5 12 44.200 46.839 18.288 108.344 o 12 6 0 81.772 89.935 19.561 70.631 o 12 6 1 141.079 133.069 24.577 42.521 o 12 6 2 32.587 49.346 18.326 117.202 o 12 6 3 156.542 248.545 38.042 24.126 o 12 6 4 1841.400 1746.840 102.590 1.650 o 12 6 5 1231.880 1303.260 91.246 2.669 o 12 6 6 54.243 125.584 30.673 46.993 o 12 6 7 418.023 436.363 56.214 9.908 o 12 6 8 1373.510 1352.960 105.175 2.228 o 12 6 9 201.276 216.792 44.678 19.353 o 12 6 10 4.435 15.742 15.549 238.456 o 12 6 11 33.661 46.105 17.246 125.705 o 12 6 12 49.453 32.139 21.529 91.775 o 12 7 0 1165.680 949.079 69.293 3.616 o 12 7 1 413.688 409.625 45.141 12.023 o 12 7 2 176.705 268.261 37.733 22.864 o 12 7 3 852.192 1019.840 76.701 4.138 o 12 7 4 319.029 346.428 43.212 14.869 o 12 7 5 404.418 444.581 53.436 10.463 o 12 7 6 350.193 351.405 49.346 12.704 o 12 7 7 520.114 476.912 60.149 8.210 o 12 7 8 119.468 128.517 29.631 39.267 o 12 7 9 6.907 -5.864 5.556 1135.760 o 12 7 10 232.256 218.181 45.179 18.136 o 12 7 11 7.821 2.122 9.954 508.417 o 12 8 0 272.365 219.416 36.228 20.549 o 12 8 1 32.710 49.617 17.208 125.128 o 12 8 2 220.950 271.309 39.624 20.034 o 12 8 3 485.902 524.754 59.455 8.377 o 12 8 4 231.935 266.100 43.482 18.119 o 12 8 5 619.890 565.188 63.930 6.810 o 12 8 6 293.939 301.133 47.379 14.758 o 12 8 7 369.877 363.134 53.783 11.384 o 12 8 8 129.611 152.592 36.576 29.687 o 12 8 9 135.694 73.113 21.297 53.733 o 12 8 10 45.175 10.031 9.838 213.183 o 12 8 11 29.694 62.117 23.612 84.133 o 12 9 0 374.651 338.673 46.569 13.007 o 12 9 1 627.380 390.527 48.999 8.870 o 12 9 2 470.552 413.522 51.507 10.149 o 12 9 3 68.480 124.697 29.129 47.610 o 12 9 4 9.858 -1.736 9.684 511.249 o 12 9 5 57.540 18.789 11.497 157.671 o 12 9 6 50.060 33.142 13.542 142.045 o 12 9 7 72.895 83.646 25.811 57.957 o 12 9 8 18.916 13.735 16.089 187.898 o 12 9 9 138.222 115.862 30.711 36.544 o 12 9 10 2.959 18.828 3.472 1028.240 o 12 10 0 17.279 39.624 14.970 178.894 o 12 10 1 361.134 373.744 49.192 12.371 o 12 10 2 72.592 94.410 25.310 57.914 o 12 10 3 370.244 372.008 52.009 11.666 o 12 10 4 147.773 217.294 39.122 24.665 o 12 10 5 99.246 128.980 35.110 34.612 o 12 10 6 42.514 37.077 19.368 107.003 o 12 10 7 151.423 113.007 27.239 39.246 o 12 10 8 190.595 122.536 34.338 28.387 o 12 10 9 1.697 17.015 16.667 219.176 o 12 11 0 331.591 289.018 43.945 15.035 o 12 11 1 364.756 358.195 52.394 11.770 o 12 11 2 14.042 -3.125 10.108 425.986 o 12 11 3 117.540 101.201 27.239 44.760 o 12 11 4 253.847 231.646 42.170 18.502 o 12 11 5 59.997 59.339 27.586 59.617 o 12 11 6 93.087 148.695 38.775 30.321 o 12 11 7 53.018 58.529 24.654 70.932 o 12 11 8 45.982 71.068 25.503 68.299 o 12 12 0 147.676 112.891 29.168 37.449 o 12 12 1 223.342 259.425 45.257 17.761 o 12 12 2 27.641 108.184 29.129 57.343 o 12 12 3 38.291 61.808 21.915 87.819 o 12 12 4 92.051 101.702 29.592 44.861 o 12 12 5 12.724 -3.935 16.243 220.692 o 12 12 6 9.819 71.377 25.310 83.282 o 12 12 7 3.829 76.122 30.711 62.456 o 12 13 0 15.928 20.140 6.173 447.127 o 12 13 1 62.429 63.352 20.410 81.603 o 12 13 2 99.020 139.860 36.691 32.373 o 12 13 3 146.933 182.223 41.398 24.047 o 12 13 4 30.601 18.481 8.758 269.849 o 12 13 5 27.406 35.573 21.953 102.475 o 12 13 6 33.288 61.345 22.339 88.601 o 12 14 0 31.707 42.170 21.143 102.181 o 12 14 1 131.720 153.711 33.836 32.061 o 12 14 2 463.980 530.773 69.949 7.345 o 12 14 3 13.942 11.034 6.096 558.522 o 12 14 4 36.551 38.813 16.436 132.980 o 13 0 1 11.144 6.918 3.077 924.025 o 13 0 2 388.882 407.865 30.731 15.392 o 13 0 3 112.132 73.356 12.535 79.064 o 13 0 4 79.051 77.867 13.826 92.395 o 13 0 5 204.799 116.864 20.294 39.353 o 13 0 6 383.168 351.429 33.304 15.724 o 13 0 7 96.046 55.245 12.202 93.909 o 13 0 8 723.895 676.859 49.635 6.829 o 13 0 9 277.177 266.670 35.862 19.611 o 13 0 10 8.050 23.397 7.155 498.389 o 13 0 11 31.641 46.794 14.387 152.211 o 13 0 12 80.424 113.060 27.027 50.495 o 13 1 0 933.978 1050.620 35.747 5.159 o 13 1 1 149.584 249.811 17.862 39.897 o 13 1 2 716.240 699.883 50.465 6.750 o 13 1 3 214.573 265.122 24.895 28.007 o 13 1 4 1488.500 1550.620 65.199 2.484 o 13 1 5 22.119 47.532 19.908 116.232 o 13 1 6 190.563 206.377 26.288 31.298 o 13 1 7 148.075 128.818 21.395 45.752 o 13 1 8 77.212 88.573 19.966 71.453 o 13 1 9 110.006 81.157 18.183 65.708 o 13 1 10 178.053 212.287 29.877 29.452 o 13 1 11 2.708 10.782 8.681 631.864 o 13 1 12 1.714 26.467 15.086 239.955 o 13 2 0 212.405 261.328 19.223 31.426 o 13 2 1 790.814 913.794 35.925 6.315 o 13 2 2 455.751 390.715 23.935 15.084 o 13 2 3 105.333 107.582 15.971 67.523 o 13 2 4 341.563 261.723 27.208 20.236 o 13 2 5 29.616 33.561 7.467 259.361 o 13 2 6 228.810 247.346 28.294 25.819 o 13 2 7 116.535 113.220 20.295 55.265 o 13 2 8 407.672 525.281 43.922 11.422 o 13 2 9 43.704 57.834 23.805 77.880 o 13 2 10 78.009 64.818 17.015 85.838 o 13 2 11 16.207 54.478 24.577 88.074 o 13 2 12 46.853 59.995 26.159 67.621 o 13 3 0 1536.840 1313.040 51.274 2.754 o 13 3 1 184.783 224.878 32.988 26.434 o 13 3 2 666.446 554.360 34.336 8.962 o 13 3 3 69.694 101.485 14.300 89.361 o 13 3 4 5.500 9.607 10.996 422.668 o 13 3 5 12.715 19.715 10.340 336.067 o 13 3 6 33.562 51.430 15.857 133.582 o 13 3 7 588.787 632.475 68.599 6.415 o 13 3 8 37.015 59.956 19.137 103.818 o 13 3 9 97.175 90.012 27.393 48.835 o 13 3 10 54.149 49.848 26.892 64.553 o 13 3 11 27.154 24.345 16.359 157.437 o 13 3 12 22.568 16.552 10.186 287.255 o 13 4 0 146.898 177.623 19.134 44.511 o 13 4 1 289.904 430.113 30.758 17.978 o 13 4 2 508.208 612.863 37.403 10.241 o 13 4 3 589.628 639.192 38.669 8.980 o 13 4 4 424.925 490.255 33.541 13.118 o 13 4 5 395.776 382.271 47.533 12.079 o 13 4 6 380.544 290.638 43.057 14.174 o 13 4 7 210.203 191.830 37.425 23.258 o 13 4 8 980.759 1061.930 94.256 3.226 o 13 4 9 57.759 53.745 22.995 76.020 o 13 4 10 236.398 233.807 50.465 15.791 o 13 4 11 141.281 129.288 33.528 32.588 o 13 4 12 40.189 46.183 25.541 74.668 o 13 5 0 11.824 32.293 15.124 198.231 o 13 5 1 593.081 571.593 51.970 8.048 o 13 5 2 544.920 406.577 44.369 10.269 o 13 5 3 1162.790 974.852 72.148 3.520 o 13 5 4 332.449 304.991 41.784 15.431 o 13 5 5 34.297 54.825 17.941 115.702 o 13 5 6 19.294 64.741 19.561 113.572 o 13 5 7 193.591 179.175 37.347 24.439 o 13 5 8 488.093 390.874 56.021 9.427 o 13 5 9 34.585 39.199 18.944 115.686 o 13 5 10 13.793 -7.099 11.343 369.946 o 13 5 11 76.735 58.490 23.188 67.513 o 13 5 12 18.807 12.230 14.816 212.209 o 13 6 0 19.886 15.317 6.250 425.013 o 13 6 1 36.021 37.579 15.086 146.125 o 13 6 2 41.903 91.401 22.146 77.959 o 13 6 3 193.944 325.362 55.751 13.983 o 13 6 4 394.224 350.479 45.257 12.833 o 13 6 5 284.270 218.413 35.032 20.601 o 13 6 6 142.602 128.710 29.322 36.959 o 13 6 7 285.055 281.533 44.408 16.102 o 13 6 8 18.185 28.551 13.349 215.758 o 13 6 9 44.376 29.708 20.641 100.654 o 13 6 10 31.770 45.372 22.648 92.371 o 13 6 11 14.355 -26.390 15.973 221.444 o 13 7 0 59.522 114.743 23.959 62.038 o 13 7 1 44.944 78.514 20.178 87.595 o 13 7 2 142.859 168.642 32.100 32.161 o 13 7 3 74.226 58.529 15.973 93.775 o 13 7 4 339.375 261.316 40.280 16.243 o 13 7 5 234.091 205.218 37.193 21.987 o 13 7 6 1213.840 1128.490 90.745 2.843 o 13 7 7 53.568 34.222 13.504 136.843 o 13 7 8 32.190 48.768 11.729 175.419 o 13 7 9 94.535 73.885 25.696 54.321 o 13 7 10 40.657 23.188 10.726 196.546 o 13 7 11 14.040 -5.209 13.465 289.146 o 13 8 0 66.706 68.715 19.600 81.301 o 13 8 1 557.215 497.476 52.047 8.700 o 13 8 2 990.712 1169.850 84.225 3.372 o 13 8 3 33.216 101.355 30.055 54.462 o 13 8 4 300.464 251.709 41.360 17.100 o 13 8 5 330.539 347.045 49.154 13.128 o 13 8 6 70.999 44.408 18.288 90.605 o 13 8 7 285.142 260.699 45.450 16.021 o 13 8 8 34.727 26.197 14.854 159.529 o 13 8 9 28.885 36.383 19.330 119.536 o 13 8 10 87.981 61.191 29.515 48.983 o 13 9 0 454.374 402.179 50.542 10.568 o 13 9 1 185.259 230.373 38.312 23.019 o 13 9 2 351.774 335.201 46.569 13.461 o 13 9 3 37.721 36.421 19.754 108.644 o 13 9 4 42.053 43.675 11.999 158.828 o 13 9 5 194.809 190.557 38.119 23.622 o 13 9 6 425.819 382.425 55.751 10.200 o 13 9 7 105.167 69.139 25.927 52.096 o 13 9 8 179.224 178.789 39.469 23.832 o 13 9 9 62.637 109.804 32.062 44.365 o 13 10 0 36.871 15.703 6.752 277.829 o 13 10 1 6.932 10.726 8.179 575.493 o 13 10 2 154.775 172.037 34.994 28.619 o 13 10 3 3.014 10.147 9.337 572.130 o 13 10 4 170.016 286.703 47.301 18.055 o 13 10 5 15.615 26.004 18.326 151.700 o 13 10 6 234.429 197.540 41.900 19.844 o 13 10 7 26.512 42.942 16.783 140.134 o 13 10 8 92.563 109.071 32.139 40.297 o 13 10 9 3.856 -34.222 22.918 131.156 o 13 11 0 87.995 107.374 26.467 50.661 o 13 11 1 75.965 97.690 24.963 57.497 o 13 11 2 251.510 181.220 35.843 22.428 o 13 11 3 31.679 34.955 17.825 129.493 o 13 11 4 48.130 82.180 26.120 63.955 o 13 11 5 204.006 175.818 39.778 22.570 o 13 11 6 28.461 24.615 16.089 158.076 o 13 11 7 3.677 43.752 28.049 78.619 o 13 11 8 14.410 15.819 7.909 428.083 o 13 12 0 35.037 52.742 17.555 118.628 o 13 12 1 46.411 52.742 16.783 113.002 o 13 12 2 101.084 115.437 29.284 43.020 o 13 12 3 72.156 78.167 26.120 58.055 o 13 12 4 96.375 136.773 34.261 35.531 o 13 12 5 57.782 98.770 27.702 55.177 o 13 12 6 23.393 52.086 24.461 85.603 o 13 13 0 75.599 84.379 30.827 46.580 o 13 13 1 53.715 82.025 26.814 60.437 o 13 13 2 79.440 85.305 27.625 52.200 o 13 13 3 26.795 34.994 20.989 109.700 o 13 13 4 102.684 72.573 22.185 60.207 o 13 13 5 15.708 27.085 16.050 180.659 o 13 14 0 69.823 62.310 23.767 67.425 o 13 14 1 38.035 60.728 24.577 76.514 o 13 14 2 16.702 13.272 6.212 483.839 o 14 0 0 193.715 236.199 34.801 24.487 o 14 0 1 592.032 546.931 37.028 9.632 o 14 0 2 182.035 195.403 43.617 20.943 o 14 0 3 1358.980 1332.060 81.165 2.628 o 14 0 4 444.760 430.444 33.756 13.285 o 14 0 5 226.027 236.831 26.493 27.313 o 14 0 6 372.219 325.205 49.944 12.424 o 14 0 7 255.204 315.094 40.839 17.678 o 14 0 8 367.072 294.043 34.975 16.539 o 14 0 9 51.111 58.757 14.355 120.052 o 14 0 10 237.976 207.000 39.257 20.778 o 14 0 11 4.394 18.050 3.470 960.874 o 14 0 12 5.094 3.439 5.505 1154.150 o 14 1 0 5.179 115.005 28.512 64.080 o 14 1 1 113.826 229.896 18.321 46.583 o 14 1 2 400.086 444.547 25.198 15.648 o 14 1 3 358.113 332.521 22.522 19.424 o 14 1 4 326.075 400.783 33.257 16.636 o 14 1 5 9.546 8.328 7.558 590.660 o 14 1 6 32.043 74.683 17.013 114.667 o 14 1 7 178.779 180.286 26.481 33.381 o 14 1 8 92.191 119.376 23.072 55.099 o 14 1 9 231.587 194.442 27.791 27.632 o 14 1 10 259.404 236.586 49.617 15.530 o 14 1 11 5.741 6.954 8.835 590.491 o 14 1 12 53.065 72.457 29.670 54.282 o 14 2 0 0.926 8.796 2.735 2226.000 o 14 2 1 127.421 173.677 16.072 52.086 o 14 2 2 150.581 173.742 16.731 46.729 o 14 2 3 28.933 46.120 8.214 227.174 o 14 2 4 42.439 78.919 13.790 121.864 o 14 2 5 783.545 705.850 48.379 6.421 o 14 2 6 334.151 314.669 33.022 17.772 o 14 2 7 144.589 151.924 23.382 42.087 o 14 2 8 571.047 601.715 54.169 7.898 o 14 2 9 19.424 9.684 7.562 418.496 o 14 2 10 125.253 115.862 34.029 34.065 o 14 2 11 233.019 252.789 52.626 14.922 o 14 2 12 51.210 67.981 30.788 52.408 o 14 3 0 664.485 743.713 39.459 7.697 o 14 3 1 407.190 475.759 32.232 13.860 o 14 3 2 147.942 147.524 35.322 29.677 o 14 3 3 10.742 68.464 11.295 209.770 o 14 3 4 232.956 240.594 33.682 22.993 o 14 3 5 348.737 357.694 45.565 13.541 o 14 3 6 217.847 178.982 33.451 25.543 o 14 3 7 321.028 273.778 46.569 14.701 o 14 3 8 434.909 503.688 64.278 8.306 o 14 3 9 30.320 25.619 11.497 212.435 o 14 3 10 42.245 84.919 30.017 54.387 o 14 3 11 50.267 54.632 25.619 69.217 o 14 3 12 0.630 -1.350 14.893 316.945 o 14 4 0 68.954 98.656 14.525 89.905 o 14 4 1 277.367 291.832 25.627 23.049 o 14 4 2 134.685 110.079 16.146 57.901 o 14 4 3 208.854 238.463 38.080 21.909 o 14 4 4 330.735 434.514 32.886 16.118 o 14 4 5 583.361 635.214 63.506 6.855 o 14 4 6 85.967 97.265 26.506 51.986 o 14 4 7 141.969 112.428 28.705 38.681 o 14 4 8 172.739 219.879 41.707 21.875 o 14 4 9 73.885 92.327 28.474 50.826 o 14 4 10 87.086 105.908 34.531 37.704 o 14 4 11 17.852 -3.781 14.738 237.354 o 14 5 0 181.347 168.869 19.649 39.581 o 14 5 1 181.479 183.650 21.008 37.480 o 14 5 2 930.458 848.306 47.064 5.293 o 14 5 3 1000.580 979.782 60.439 4.297 o 14 5 4 35.734 35.073 9.114 212.377 o 14 5 5 261.968 259.850 40.280 18.539 o 14 5 6 377.685 330.532 46.183 13.111 o 14 5 7 51.407 62.349 20.873 85.456 o 14 5 8 163.653 175.047 37.116 26.346 o 14 5 9 202.764 197.308 42.402 20.763 o 14 5 10 11.288 25.387 19.330 146.752 o 14 5 11 2.888 10.108 13.735 316.114 o 14 6 0 9.222 16.089 7.253 536.779 o 14 6 1 82.501 77.318 19.368 73.314 o 14 6 2 570.014 572.827 55.095 7.936 o 14 6 3 255.921 346.389 45.758 15.593 o 14 6 4 93.235 116.286 26.969 47.963 o 14 6 5 285.985 340.448 49.076 14.041 o 14 6 6 563.256 629.350 68.174 6.602 o 14 6 7 75.291 40.935 17.632 91.832 o 14 6 8 339.093 272.698 48.112 13.921 o 14 6 9 74.625 50.041 19.137 83.711 o 14 6 10 80.456 70.759 25.464 58.527 o 14 6 11 42.380 24.770 13.735 158.885 o 14 7 0 2141.330 2139.180 110.692 1.290 o 14 7 1 129.425 96.918 22.841 49.986 o 14 7 2 24.282 57.719 18.442 120.350 o 14 7 3 217.420 168.796 31.058 27.399 o 14 7 4 235.586 249.934 39.084 20.128 o 14 7 5 238.367 208.266 39.855 20.456 o 14 7 6 177.358 169.529 35.457 26.891 o 14 7 7 34.641 67.789 24.924 75.073 o 14 7 8 329.800 306.766 52.009 12.805 o 14 7 9 129.460 165.825 38.080 27.947 o 14 7 10 44.584 51.121 23.767 79.106 o 14 8 0 597.756 598.407 59.686 7.207 o 14 8 1 233.986 216.561 38.505 21.107 o 14 8 2 217.570 217.525 37.695 22.185 o 14 8 3 104.988 117.829 27.085 45.670 o 14 8 4 38.555 27.162 15.626 145.073 o 14 8 5 28.174 52.934 16.552 133.636 o 14 8 6 112.395 114.743 29.129 41.730 o 14 8 7 93.479 82.218 28.049 48.977 o 14 8 8 37.807 8.565 14.584 173.386 o 14 8 9 52.453 58.182 23.303 76.124 o 14 8 10 8.434 18.982 18.211 171.692 o 14 9 0 14.852 2.662 4.283 763.008 o 14 9 1 264.200 331.111 47.224 15.127 o 14 9 2 99.680 108.377 26.120 49.004 o 14 9 3 379.274 281.764 44.832 13.861 o 14 9 4 16.936 19.793 17.362 166.952 o 14 9 5 82.248 120.839 31.444 41.910 o 14 9 6 198.091 163.626 34.106 26.749 o 14 9 7 104.394 90.320 28.628 45.442 o 14 9 8 35.574 34.878 22.918 91.745 o 14 9 9 49.630 79.093 25.696 65.256 o 14 10 0 7.016 8.102 9.607 496.539 o 14 10 1 99.668 94.526 25.657 51.170 o 14 10 2 104.619 129.983 29.052 41.862 o 14 10 3 140.316 124.504 29.592 37.135 o 14 10 4 146.194 110.730 30.557 36.150 o 14 10 5 13.983 71.956 26.467 76.032 o 14 10 6 10.277 14.931 4.630 686.558 o 14 10 7 93.146 110.152 28.011 46.699 o 14 10 8 233.891 208.574 42.865 19.234 o 14 11 0 16.323 22.030 12.269 256.128 o 14 11 1 186.573 197.193 38.119 23.862 o 14 11 2 19.349 10.841 8.411 382.651 o 14 11 3 14.264 25.387 12.848 244.911 o 14 11 4 84.691 71.956 23.188 62.947 o 14 11 5 130.732 137.545 32.718 33.993 o 14 11 6 135.112 204.600 45.218 21.655 o 14 11 7 40.477 63.275 28.319 62.078 o 14 12 0 5.787 22.493 13.697 267.157 o 14 12 1 134.451 135.114 32.988 33.481 o 14 12 2 93.592 103.979 32.293 40.257 o 14 12 3 53.702 51.083 20.140 90.547 o 14 12 4 77.904 42.903 19.330 83.130 o 14 12 5 37.468 60.805 23.844 79.781 o 14 13 0 14.194 30.673 15.008 196.093 o 14 13 1 24.372 55.635 22.686 93.502 o 14 13 2 19.489 25.773 22.686 106.908 o 14 13 3 37.836 30.596 16.243 138.166 o 15 0 1 1199.500 1284.230 58.618 3.364 o 15 0 2 509.427 585.615 56.870 8.207 o 15 0 3 74.593 66.816 12.575 103.852 o 15 0 4 673.303 715.244 35.732 7.987 o 15 0 5 254.264 213.855 25.428 26.759 o 15 0 6 194.982 175.136 24.418 33.727 o 15 0 7 54.661 52.800 12.595 129.803 o 15 0 8 39.450 31.379 10.734 189.097 o 15 0 9 18.546 16.050 7.887 382.712 o 15 0 10 311.477 298.906 35.979 17.842 o 15 0 11 13.815 6.905 15.008 233.242 o 15 1 0 222.930 294.382 28.107 24.870 o 15 1 1 440.821 444.807 34.816 13.043 o 15 1 2 258.403 243.926 25.746 25.393 o 15 1 3 103.246 101.461 12.206 77.361 o 15 1 4 65.524 65.053 10.608 120.939 o 15 1 5 57.413 70.023 15.344 104.266 o 15 1 6 70.728 48.071 11.701 119.406 o 15 1 7 87.929 98.982 18.068 70.593 o 15 1 8 165.204 130.878 22.424 41.720 o 15 1 9 131.519 124.409 23.382 46.288 o 15 1 10 97.309 124.998 23.099 53.269 o 15 1 11 31.687 47.841 12.853 166.056 o 15 2 0 25.720 6.447 5.543 429.351 o 15 2 1 181.511 215.596 23.429 33.819 o 15 2 2 347.604 336.675 23.298 19.569 o 15 2 3 864.191 798.791 37.200 6.164 o 15 2 4 344.348 348.665 32.074 17.179 o 15 2 5 83.896 93.820 16.389 77.767 o 15 2 6 33.309 27.820 10.803 209.749 o 15 2 7 5.086 10.584 10.288 463.157 o 15 2 8 54.089 93.929 20.352 78.611 o 15 2 9 14.628 19.098 13.774 235.591 o 15 2 10 15.760 22.879 17.053 170.502 o 15 2 11 0.815 13.774 11.305 436.098 o 15 3 0 40.372 117.212 25.657 62.505 o 15 3 1 476.817 515.313 34.906 11.741 o 15 3 2 88.962 125.101 16.543 69.018 o 15 3 3 1088.750 1082.490 51.552 4.091 o 15 3 4 634.885 617.274 58.066 7.024 o 15 3 5 68.588 58.182 18.828 85.913 o 15 3 6 29.488 69.486 22.763 86.400 o 15 3 7 219.077 173.696 35.225 24.548 o 15 3 8 28.871 8.372 11.382 250.528 o 15 3 9 32.291 12.308 12.886 205.493 o 15 3 10 94.966 88.430 29.592 45.432 o 15 3 11 48.166 32.872 12.115 156.624 o 15 4 0 545.899 599.574 47.147 8.834 o 15 4 1 691.380 651.204 40.622 7.785 o 15 4 2 102.767 118.121 17.389 63.769 o 15 4 3 198.417 283.441 27.153 27.234 o 15 4 4 1095.120 942.057 74.386 3.665 o 15 4 5 34.066 41.553 16.243 135.965 o 15 4 6 279.984 254.680 41.861 17.472 o 15 4 7 17.620 31.985 11.189 252.049 o 15 4 8 196.061 189.823 39.855 22.568 o 15 4 9 45.045 48.112 18.905 103.568 o 15 4 10 89.465 106.448 34.222 37.844 o 15 4 11 40.704 52.742 24.808 76.116 o 15 5 0 3.031 11.925 5.338 1017.540 o 15 5 1 623.397 626.260 41.253 8.478 o 15 5 2 695.759 688.813 43.363 7.407 o 15 5 3 153.510 119.496 18.016 49.877 o 15 5 4 417.040 396.855 49.694 11.249 o 15 5 5 27.384 35.997 16.166 149.844 o 15 5 6 12.594 22.802 14.005 231.331 o 15 5 7 573.238 606.895 68.792 6.558 o 15 5 8 91.931 65.281 20.140 69.831 o 15 5 9 15.710 -9.298 11.883 332.782 o 15 5 10 26.393 25.310 15.317 170.369 o 15 6 0 84.596 219.298 25.019 43.942 o 15 6 1 24.870 105.525 16.710 109.230 o 15 6 2 846.225 924.884 51.287 5.345 o 15 6 3 269.601 317.836 29.904 21.173 o 15 6 4 21.387 153.556 31.753 47.952 o 15 6 5 101.161 159.884 33.142 35.267 o 15 6 6 28.559 43.328 18.249 124.842 o 15 6 7 455.874 382.579 55.481 9.898 o 15 6 8 65.407 50.697 20.718 82.013 o 15 6 9 86.465 79.826 28.165 50.257 o 15 6 10 55.319 41.861 16.706 110.417 o 15 7 0 499.597 429.958 49.617 9.976 o 15 7 1 260.770 227.209 36.228 20.858 o 15 7 2 753.779 760.259 69.255 5.268 o 15 7 3 99.094 103.786 25.541 50.589 o 15 7 4 460.178 500.177 60.111 8.628 o 15 7 5 284.629 247.388 42.363 17.264 o 15 7 6 300.700 260.197 44.910 15.819 o 15 7 7 143.503 166.674 35.110 29.493 o 15 7 8 12.471 23.651 17.979 163.194 o 15 7 9 21.682 9.761 8.758 355.098 o 15 8 0 196.023 141.403 29.863 30.820 o 15 8 1 157.826 123.540 28.203 36.798 o 15 8 2 70.426 74.232 22.609 68.714 o 15 8 3 190.768 170.340 31.985 28.511 o 15 8 4 1076.830 1073.160 90.089 3.145 o 15 8 5 264.069 265.946 46.723 16.051 o 15 8 6 306.771 263.940 44.524 15.746 o 15 8 7 140.600 110.730 25.387 43.187 o 15 8 8 141.399 109.766 30.441 36.842 o 15 8 9 37.546 31.792 14.314 155.496 o 15 9 0 39.783 52.279 19.252 103.948 o 15 9 1 185.603 209.732 38.119 23.604 o 15 9 2 1.765 22.493 14.044 276.661 o 15 9 3 30.656 53.359 20.256 104.355 o 15 9 4 39.537 23.381 5.209 264.321 o 15 9 5 205.581 224.470 44.176 19.317 o 15 9 6 145.649 161.813 33.991 30.491 o 15 9 7 234.636 216.329 43.520 18.795 o 15 9 8 96.676 84.919 21.567 61.567 o 15 10 0 8.575 -6.096 4.321 1222.960 o 15 10 1 97.573 127.591 32.023 38.760 o 15 10 2 3.695 13.349 4.398 1059.300 o 15 10 3 43.103 36.190 14.468 142.300 o 15 10 4 236.008 245.690 46.337 17.175 o 15 10 5 52.571 44.447 20.371 92.059 o 15 10 6 76.861 63.082 19.407 78.577 o 15 10 7 30.009 25.696 3.357 334.365 o 15 11 0 159.566 145.300 32.023 31.809 o 15 11 1 69.196 68.059 21.297 74.454 o 15 11 2 102.961 84.880 23.535 55.676 o 15 11 3 67.230 49.925 20.834 80.883 o 15 11 4 95.276 92.713 27.548 48.651 o 15 11 5 167.363 123.308 32.216 31.899 o 15 11 6 2.062 39.585 18.519 160.187 o 15 12 0 21.300 52.163 22.069 100.212 o 15 12 1 19.772 19.947 12.655 238.106 o 15 12 2 11.849 10.687 6.675 573.073 o 15 12 3 92.710 108.107 29.824 43.906 o 15 12 4 25.326 29.438 17.401 145.053 o 15 13 0 18.880 15.008 16.397 181.729 o 15 13 1 93.060 78.167 25.503 54.585 o 16 0 0 47.302 42.749 13.388 140.368 o 16 0 1 216.540 250.807 26.382 27.546 o 16 0 2 133.433 162.959 21.949 44.663 o 16 0 3 67.515 114.602 17.334 77.751 o 16 0 4 186.982 223.621 39.354 22.505 o 16 0 5 98.701 68.522 22.841 60.335 o 16 0 6 49.751 49.910 13.863 129.405 o 16 0 7 249.532 245.601 31.454 23.140 o 16 0 8 41.084 40.723 12.800 156.113 o 16 0 9 3.438 5.167 10.417 522.669 o 16 0 10 71.225 48.079 14.982 103.732 o 16 0 11 101.473 106.554 24.110 52.477 o 16 1 0 52.091 133.491 20.698 70.341 o 16 1 1 811.034 745.735 46.902 6.209 o 16 1 2 46.838 83.224 20.333 84.702 o 16 1 3 133.938 138.745 20.090 49.120 o 16 1 4 176.443 163.395 34.299 27.998 o 16 1 5 123.886 154.833 21.891 47.038 o 16 1 6 16.634 2.586 7.388 516.990 o 16 1 7 23.722 16.123 14.507 198.319 o 16 1 8 33.248 20.386 9.433 242.617 o 16 1 9 45.613 34.154 12.770 154.293 o 16 1 10 28.395 24.601 12.031 211.917 o 16 1 11 21.799 4.476 24.307 101.340 o 16 2 0 418.399 490.598 38.209 12.469 o 16 2 1 744.043 639.786 44.692 7.137 o 16 2 2 319.535 348.591 32.349 17.892 o 16 2 3 1276.550 1278.050 60.957 3.158 o 16 2 4 198.421 122.440 18.759 41.211 o 16 2 5 118.577 108.732 18.798 57.948 o 16 2 6 68.516 61.405 16.260 95.373 o 16 2 7 219.990 215.965 44.967 18.634 o 16 2 8 62.861 120.290 42.402 29.625 o 16 2 9 78.169 64.779 23.458 65.266 o 16 2 10 4.671 -1.235 11.266 479.806 o 16 2 11 11.410 8.912 11.459 347.697 o 16 3 0 784.426 706.977 66.593 5.395 o 16 3 1 286.764 250.783 39.431 18.207 o 16 3 2 814.006 834.143 68.290 4.925 o 16 3 3 392.260 376.298 31.141 15.633 o 16 3 4 6.954 8.874 2.894 1167.330 o 16 3 5 200.433 217.140 35.766 24.070 o 16 3 6 374.222 405.343 51.661 11.436 o 16 3 7 112.495 136.735 32.602 35.922 o 16 3 8 96.458 97.690 27.741 47.661 o 16 3 9 91.516 63.853 23.303 61.855 o 16 3 10 56.316 101.162 32.023 46.023 o 16 4 0 35.642 25.001 13.156 177.862 o 16 4 1 604.100 667.135 41.364 8.457 o 16 4 2 12.777 61.146 12.184 202.010 o 16 4 3 197.600 205.847 23.379 32.773 o 16 4 4 1437.200 1540.500 96.841 2.168 o 16 4 5 103.158 64.856 20.024 66.335 o 16 4 6 99.090 82.295 25.387 53.068 o 16 4 7 96.809 83.299 24.500 55.284 o 16 4 8 75.052 53.590 21.876 73.086 o 16 4 9 23.582 28.358 11.536 229.514 o 16 4 10 12.825 20.950 6.713 463.975 o 16 5 0 176.836 158.360 20.672 39.970 o 16 5 1 94.407 79.976 16.957 74.666 o 16 5 2 477.991 473.858 36.380 11.862 o 16 5 3 210.683 197.871 24.512 31.177 o 16 5 4 258.446 213.088 35.457 21.600 o 16 5 5 114.637 107.374 24.230 49.553 o 16 5 6 53.332 78.514 22.069 76.130 o 16 5 7 5.342 6.173 11.189 434.049 o 16 5 8 75.990 36.923 14.121 108.341 o 16 5 9 56.705 66.863 24.384 69.107 o 16 5 10 44.734 21.374 18.558 117.289 o 16 6 0 470.143 420.382 35.595 12.591 o 16 6 1 53.059 81.510 15.925 100.549 o 16 6 2 307.970 273.783 27.836 21.207 o 16 6 3 599.713 413.081 35.534 10.563 o 16 6 4 361.832 336.628 48.575 12.804 o 16 6 5 288.525 202.054 38.158 19.462 o 16 6 6 28.022 23.419 10.494 239.940 o 16 6 7 175.445 148.155 33.103 29.532 o 16 6 8 182.047 183.882 38.196 24.373 o 16 6 9 18.626 15.278 14.661 211.076 o 16 7 0 88.174 186.467 34.415 33.799 o 16 7 1 78.114 111.656 26.236 52.668 o 16 7 2 46.045 51.005 15.317 123.424 o 16 7 3 27.137 66.361 22.223 91.225 o 16 7 4 119.866 178.596 36.228 29.770 o 16 7 5 40.801 33.142 17.015 126.756 o 16 7 6 132.090 109.110 30.326 38.050 o 16 7 7 3.032 11.768 4.090 1230.780 o 16 7 8 120.062 81.138 24.615 50.372 o 16 7 9 3.208 -17.709 16.552 246.660 o 16 8 0 33.325 67.711 22.185 87.613 o 16 8 1 26.375 36.306 13.349 183.547 o 16 8 2 15.026 8.681 6.559 535.720 o 16 8 3 134.518 99.233 27.470 42.076 o 16 8 4 65.634 79.286 22.339 70.333 o 16 8 5 33.522 22.570 14.391 170.268 o 16 8 6 232.838 221.191 42.903 19.043 o 16 8 7 233.812 178.017 40.280 21.012 o 16 8 8 16.585 -10.263 4.784 713.844 o 16 9 0 29.301 46.453 18.056 123.925 o 16 9 1 117.859 107.335 25.310 47.214 o 16 9 2 53.074 61.345 22.609 77.853 o 16 9 3 18.003 4.283 8.488 430.004 o 16 9 4 31.158 54.979 24.770 79.827 o 16 9 5 117.000 122.266 32.525 36.292 o 16 9 6 160.960 141.943 37.154 27.473 o 16 9 7 93.189 75.659 25.155 55.589 o 16 10 0 309.614 265.058 42.517 16.289 o 16 10 1 13.096 13.658 14.198 242.123 o 16 10 2 185.703 135.423 30.133 31.696 o 16 10 3 91.850 129.636 33.373 37.482 o 16 10 4 149.679 127.012 32.177 33.306 o 16 10 5 23.568 17.169 5.903 384.443 o 16 10 6 159.091 211.545 44.832 20.838 o 16 11 0 2.939 30.673 10.687 357.865 o 16 11 1 16.889 24.577 9.530 313.643 o 16 11 2 166.548 156.064 34.685 28.608 o 16 11 3 32.502 47.649 17.555 123.773 o 16 11 4 25.741 42.054 14.391 166.494 o 16 11 5 25.504 62.040 27.277 70.355 o 16 12 0 15.462 12.230 7.138 470.832 o 16 12 1 34.989 53.398 18.867 109.649 o 16 12 2 39.230 70.991 27.818 62.907 o 17 0 1 129.971 110.343 23.419 47.731 o 17 0 2 723.539 876.523 52.599 6.039 o 17 0 3 224.407 278.069 29.713 24.453 o 17 0 4 205.315 252.789 41.669 20.005 o 17 0 5 163.834 153.016 36.807 27.224 o 17 0 6 2.422 13.928 14.082 294.723 o 17 0 7 45.997 73.615 23.689 74.183 o 17 0 8 4.133 -5.787 8.874 728.444 o 17 0 9 54.366 93.393 21.047 76.187 o 17 0 10 16.270 22.327 12.372 253.403 o 17 1 0 635.557 651.657 45.739 7.883 o 17 1 1 28.062 59.376 14.160 150.028 o 17 1 2 218.739 257.354 28.872 25.818 o 17 1 3 634.510 683.475 46.795 7.675 o 17 1 4 248.879 251.323 46.723 16.616 o 17 1 5 250.443 301.094 54.324 13.613 o 17 1 6 179.495 201.282 41.051 22.355 o 17 1 7 74.946 136.183 24.132 55.001 o 17 1 8 91.992 96.312 24.789 54.302 o 17 1 9 62.643 77.247 39.354 34.882 o 17 1 10 16.308 16.737 12.181 270.464 o 17 2 0 29.628 19.715 9.916 250.921 o 17 2 1 123.159 137.695 20.853 50.259 o 17 2 2 141.860 192.567 24.751 38.272 o 17 2 3 5.862 -0.836 6.694 991.687 o 17 2 4 39.743 68.252 23.844 77.200 o 17 2 5 291.274 284.658 48.035 14.800 o 17 2 6 49.286 83.410 29.438 54.493 o 17 2 7 68.115 89.145 22.860 66.277 o 17 2 8 50.046 25.734 17.439 117.962 o 17 2 9 9.719 7.871 12.578 321.685 o 17 2 10 11.266 19.059 19.175 153.373 o 17 3 0 853.110 891.013 76.392 4.340 o 17 3 1 287.887 199.430 35.303 20.724 o 17 3 2 494.196 486.635 53.590 9.195 o 17 3 3 181.934 157.723 29.708 31.432 o 17 3 5 27.804 24.422 14.545 178.211 o 17 3 6 89.545 61.500 19.252 73.999 o 17 3 7 316.873 275.283 44.871 15.267 o 17 3 8 177.331 162.353 35.881 26.805 o 17 3 9 5.589 -25.155 19.021 183.760 o 17 3 10 8.766 -6.173 14.623 280.074 o 17 4 0 153.512 96.571 23.921 44.237 o 17 4 1 47.087 56.716 17.941 104.161 o 17 4 2 967.000 939.356 75.582 3.966 o 17 4 3 131.721 141.112 19.119 50.656 o 17 4 4 336.588 385.473 49.154 12.689 o 17 4 5 131.643 87.620 21.876 52.055 o 17 4 6 37.807 38.428 16.706 129.554 o 17 4 7 36.599 24.577 16.745 139.282 o 17 4 8 108.285 67.364 21.490 60.942 o 17 4 9 131.343 159.305 39.739 26.678 o 17 5 0 129.183 183.728 34.068 30.845 o 17 5 1 45.584 37.154 14.738 136.176 o 17 5 2 71.391 126.194 19.200 68.783 o 17 5 3 277.289 232.073 26.029 24.506 o 17 5 4 41.719 37.965 14.121 145.908 o 17 5 5 4.617 10.610 7.485 699.346 o 17 5 6 6.531 15.934 14.893 246.496 o 17 5 7 229.594 251.863 46.414 17.235 o 17 5 8 205.213 146.766 34.492 26.565 o 17 5 9 78.397 68.329 21.220 71.102 o 17 6 0 43.624 138.471 32.756 43.803 o 17 6 1 628.659 601.388 43.257 8.378 o 17 6 2 53.776 51.605 11.589 137.780 o 17 6 3 41.130 66.418 26.332 67.843 o 17 6 4 36.223 120.955 31.174 49.413 o 17 6 5 179.068 224.277 42.170 21.278 o 17 6 6 131.495 134.265 32.872 33.909 o 17 6 7 185.589 194.376 40.395 22.619 o 17 6 8 102.689 90.668 29.014 45.040 o 17 6 9 41.528 34.608 15.819 134.439 o 17 7 0 45.374 47.040 27.702 64.942 o 17 7 1 34.817 32.102 11.188 194.735 o 17 7 2 63.535 127.190 20.391 68.248 o 17 7 3 103.708 147.472 22.749 50.220 o 17 7 4 59.040 83.221 26.081 60.872 o 17 7 5 132.913 120.955 29.554 38.218 o 17 7 6 85.720 85.343 24.230 58.304 o 17 7 7 11.548 9.993 5.633 656.898 o 17 7 8 7.215 42.903 19.291 140.754 o 17 8 0 165.134 211.082 36.537 25.638 o 17 8 1 72.698 92.713 24.230 60.750 o 17 8 2 79.312 103.670 27.663 50.356 o 17 8 3 44.526 27.663 10.533 183.494 o 17 8 4 284.961 252.558 44.138 16.568 o 17 8 5 1.477 16.397 9.684 514.405 o 17 8 6 38.381 45.797 19.793 104.226 o 17 8 7 462.429 395.774 60.728 9.001 o 17 9 0 14.600 17.941 13.349 247.355 o 17 9 1 127.542 123.154 29.901 38.289 o 17 9 2 1.669 10.070 10.764 485.237 o 17 9 3 69.244 67.055 20.680 76.720 o 17 9 4 252.357 240.520 43.289 17.965 o 17 9 5 123.665 159.652 38.158 28.449 o 17 9 6 89.365 83.337 28.628 48.513 o 17 10 0 5.044 19.523 9.877 428.746 o 17 10 1 63.689 59.995 19.368 85.891 o 17 10 2 6.874 42.479 22.185 114.245 o 17 10 3 7.601 0.463 7.061 828.369 o 17 10 4 28.311 14.584 2.469 411.717 o 17 10 5 11.951 27.548 13.735 230.819 o 17 11 0 3.064 20.564 11.613 362.231 o 17 11 1 2.919 52.279 23.226 105.483 o 17 11 2 6.163 28.126 13.002 270.779 o 17 11 3 54.592 105.638 29.399 51.276 o 18 0 0 217.041 157.646 31.753 27.330 o 18 0 1 114.961 101.324 25.213 48.415 o 18 0 2 143.288 108.001 18.645 52.378 o 18 0 3 9.345 68.199 20.313 115.388 o 18 0 4 407.552 508.858 64.818 8.439 o 18 0 5 1.862 -4.784 5.942 1623.730 o 18 0 6 89.167 127.475 35.264 35.443 o 18 0 7 29.017 63.853 23.998 82.256 o 18 0 8 138.798 86.771 34.608 33.517 o 18 0 9 19.422 27.432 18.905 138.954 o 18 1 0 19.832 7.749 7.242 437.483 o 18 1 1 71.180 96.999 17.973 78.129 o 18 1 2 159.594 135.081 21.201 43.607 o 18 1 3 26.508 39.910 12.154 194.114 o 18 1 4 7.940 18.134 16.243 207.816 o 18 1 5 53.382 55.790 24.461 71.974 o 18 1 6 160.875 187.393 44.717 21.288 o 18 1 7 15.851 48.112 23.882 93.966 o 18 1 8 51.099 103.979 27.316 57.046 o 18 1 9 67.153 96.686 33.412 42.315 o 18 2 0 204.530 180.294 33.451 26.288 o 18 2 1 314.651 365.659 34.499 17.158 o 18 2 2 269.803 251.012 28.953 23.120 o 18 2 3 395.750 346.273 34.249 15.251 o 18 2 4 109.128 145.107 34.029 34.202 o 18 2 5 83.465 109.380 31.946 41.723 o 18 2 6 351.256 401.099 62.271 9.831 o 18 2 7 18.506 59.262 22.455 97.358 o 18 2 8 27.320 37.965 18.751 124.945 o 18 2 9 56.806 47.880 22.995 77.643 o 18 3 0 138.510 154.019 30.364 34.940 o 18 3 1 9.327 8.527 3.279 967.168 o 18 3 2 22.045 63.737 17.401 127.588 o 18 3 3 63.938 74.232 20.796 77.055 o 18 3 7 8.856 -19.638 14.816 273.519 o 18 3 8 5.949 13.002 10.031 450.178 o 18 3 9 5.935 24.268 14.854 233.903 o 18 4 0 0.432 -3.009 3.897 4147.910 o 18 4 1 42.283 59.725 19.600 97.621 o 18 4 2 11.074 22.300 9.028 385.243 o 18 4 3 148.356 116.595 26.776 39.957 o 18 4 6 48.363 55.674 20.834 89.054 o 18 4 7 42.385 36.614 17.863 117.180 o 18 4 8 19.942 -15.163 15.819 207.711 o 18 4 9 65.869 58.220 19.368 85.213 o 18 5 0 494.128 386.978 52.934 9.820 o 18 5 1 547.198 602.072 64.008 7.151 o 18 5 2 150.201 101.162 26.236 41.400 o 18 5 4 34.859 44.447 18.867 113.607 o 18 5 5 2.616 45.064 18.712 152.400 o 18 5 6 94.357 56.214 18.326 75.844 o 18 5 7 18.498 56.253 19.754 116.718 o 18 5 8 220.917 186.428 41.398 20.789 o 18 6 0 323.858 355.842 51.777 12.554 o 18 6 1 83.554 82.913 23.921 59.909 o 18 6 2 104.944 190.595 36.113 30.527 o 18 6 3 751.925 811.380 74.193 4.917 o 18 6 4 74.381 96.995 27.856 51.558 o 18 6 5 8.752 11.150 13.311 292.465 o 18 6 6 30.420 20.448 11.382 222.126 o 18 6 7 178.586 140.091 35.727 27.531 o 18 6 8 209.609 142.098 35.881 25.514 o 18 7 0 17.625 96.609 29.284 60.763 o 18 7 1 315.785 361.938 52.934 12.370 o 18 7 2 197.487 164.406 23.581 34.674 o 18 7 3 40.575 67.171 24.268 75.411 o 18 7 4 67.527 39.354 10.417 134.479 o 18 7 5 71.209 86.038 24.924 60.292 o 18 7 6 119.196 50.967 19.330 65.039 o 18 7 7 16.360 21.799 13.735 225.506 o 18 8 0 17.201 41.206 14.931 177.882 o 18 8 1 44.294 66.271 14.246 123.915 o 18 8 2 69.115 78.981 19.465 78.293 o 18 8 3 118.384 134.728 32.910 35.081 o 18 8 4 80.722 103.014 28.396 48.741 o 18 8 5 78.856 86.308 20.950 68.501 o 18 8 6 203.490 207.147 43.598 19.959 o 18 9 0 1.758 10.263 9.800 557.296 o 18 9 1 61.710 69.139 20.217 81.298 o 18 9 2 74.336 62.541 20.989 74.513 o 18 9 3 13.156 8.642 10.572 369.357 o 18 9 4 8.937 1.929 10.841 436.211 o 18 9 5 14.564 13.812 13.542 251.466 o 18 10 0 74.249 70.991 22.648 67.852 o 18 10 1 21.545 15.780 3.009 486.036 o 18 10 2 116.550 111.849 28.936 41.638 o 18 10 3 72.653 98.153 29.052 49.343 o 19 0 1 240.923 296.066 33.759 21.329 o 19 0 2 23.608 64.955 16.069 135.852 o 19 0 3 96.743 109.611 27.933 46.283 o 19 0 4 102.205 97.921 30.287 42.551 o 19 0 5 116.089 93.909 31.020 39.934 o 19 0 6 0.106 31.792 21.066 137.504 o 19 0 7 3.947 0.849 13.735 341.109 o 19 0 8 8.892 33.566 22.069 117.384 o 19 1 0 55.515 77.218 17.426 93.716 o 19 1 1 27.311 24.586 4.772 341.022 o 19 1 2 394.686 442.881 41.439 12.754 o 19 1 3 617.265 631.125 75.003 5.795 o 19 1 4 141.243 135.307 33.489 32.375 o 19 1 5 76.430 150.200 40.241 29.952 o 19 1 6 33.987 30.866 18.867 120.815 o 19 1 7 92.694 72.496 25.348 55.644 o 19 1 8 17.313 15.278 3.009 568.454 o 19 2 0 67.385 82.643 25.619 59.967 o 19 2 1 248.695 265.251 42.980 17.825 o 19 2 2 181.524 210.547 27.762 30.801 o 19 2 3 10.395 11.690 15.240 231.582 o 19 2 4 192.064 210.195 41.630 21.331 o 19 2 5 55.866 53.861 18.481 96.197 o 19 2 6 13.937 8.102 5.286 639.361 o 19 3 0 98.854 165.517 37.077 30.983 o 19 3 1 102.030 70.682 22.108 60.822 o 19 3 2 76.666 112.274 27.779 49.820 o 19 4 0 151.289 173.079 37.425 26.905 o 19 4 1 390.517 342.338 48.845 12.221 o 19 4 2 88.536 78.167 22.995 61.442 o 19 4 8 37.682 28.011 16.166 140.776 o 19 5 0 14.255 106.371 29.361 60.147 o 19 5 1 109.435 89.394 23.921 52.962 o 19 5 2 230.802 221.036 40.010 20.428 o 19 5 7 183.646 144.991 33.373 28.844 o 19 6 0 1.330 56.484 27.085 81.698 o 19 6 1 59.300 77.974 23.728 68.440 o 19 6 2 152.455 189.553 37.695 26.155 o 19 6 6 47.316 17.401 8.372 212.088 o 19 7 0 75.212 67.441 23.612 65.336 o 19 7 1 61.578 74.540 21.837 74.393 o 19 7 2 240.115 198.543 37.695 21.621 o 19 7 4 21.653 25.773 11.768 237.178 o 19 7 5 33.117 18.596 14.931 168.540 o 19 7 6 3.893 28.396 19.908 148.282 o 19 8 0 2.542 -0.772 5.594 1656.770 o 19 8 1 8.214 14.854 14.738 245.843 o 19 8 2 111.888 114.743 32.833 36.837 o 19 8 3 282.119 334.545 50.002 13.922 o 19 8 4 23.906 60.805 22.995 90.595 o 19 8 5 9.610 54.671 24.538 91.841 o 19 9 0 134.608 93.137 29.940 39.177 o 19 9 1 31.282 49.269 18.018 120.738 o 19 9 2 69.686 54.719 13.842 107.451 o 19 9 3 145.333 137.622 31.830 33.568 o 20 0 0 213.171 220.612 40.974 20.643 o 20 0 1 47.453 89.923 18.278 91.115 o 20 0 2 219.424 269.571 32.421 23.580 o 20 0 3 14.044 42.479 21.760 111.473 o 20 0 4 113.503 121.263 31.985 37.379 o 20 0 5 22.717 23.767 17.401 153.197 o 20 0 6 96.209 121.495 36.769 33.282 o 20 0 7 258.589 272.312 54.362 13.713 o 20 1 0 111.515 114.153 21.489 54.224 o 20 1 1 83.547 99.445 19.667 68.016 o 20 1 2 125.191 111.818 21.164 52.026 o 20 1 3 114.682 152.360 37.965 29.464 o 20 1 4 5.382 -31.676 20.603 158.513 o 20 1 5 40.575 73.229 28.396 60.509 o 20 1 6 103.142 158.032 42.325 26.199 o 20 1 7 12.268 32.525 25.348 91.805 o 20 2 0 151.474 145.609 33.026 31.543 o 20 2 1 34.216 38.582 13.079 167.771 o 20 2 2 9.886 5.594 9.954 451.474 o 20 3 0 1474.150 1473.100 105.367 2.057 o 20 3 1 107.088 86.694 22.725 56.128 o 20 3 2 51.151 38.080 15.819 121.555 o 20 4 0 4.039 25.001 8.218 493.902 o 20 4 1 20.739 26.120 18.789 139.283 o 20 4 2 52.523 32.255 13.311 140.976 o 20 5 0 2.732 24.847 19.330 160.459 o 20 5 1 27.520 11.034 12.964 220.702 o 20 5 2 53.257 58.259 16.822 104.780 o 20 6 0 13.040 26.197 12.192 263.295 o 20 6 1 28.367 88.430 27.239 65.366 o 20 6 2 92.630 112.544 27.085 48.195 o 20 7 0 8.990 -0.039 12.578 356.629 o 20 7 1 2.882 -4.244 7.292 1072.070 o 20 7 2 36.514 51.970 19.484 105.168 o 20 8 0 71.633 92.558 30.055 48.036 o 20 8 1 13.252 44.331 18.982 135.310 o 20 8 2 107.553 114.280 32.988 37.124 o 21 0 1 3.220 31.279 20.738 137.590 o 21 0 2 21.195 21.568 8.157 329.544 o 21 0 3 27.757 4.013 15.317 190.592 o 21 0 4 4.443 -13.349 6.250 1196.620 o 21 0 5 58.328 66.091 28.975 55.559 o 21 0 6 18.536 66.284 25.194 80.997 o 21 1 0 1.922 4.953 14.950 292.149 o 21 1 1 239.497 189.866 28.486 26.849 o 21 1 2 180.150 185.046 27.220 32.432 o 21 1 3 214.142 198.273 44.987 19.091 o 21 1 4 27.304 33.991 12.539 194.622 o 21 1 5 0.675 32.988 20.834 138.639 o 21 1 6 59.318 56.716 22.339 77.201 o 21 2 0 197.375 166.520 36.807 24.915 o 21 2 1 32.626 48.305 15.086 143.296 o 21 2 2 45.807 28.049 15.394 136.587 o 21 3 0 104.370 110.846 27.393 45.837 o 21 3 1 104.688 60.844 21.259 63.471 o 21 4 0 0.136 -8.874 9.067 859.760 o 21 4 1 100.193 72.418 23.998 56.842 o 21 5 0 492.741 660.524 75.814 6.259 o 21 5 1 41.396 75.273 23.458 76.568 o 21 6 0 125.929 174.005 38.929 27.214 o 21 6 1 69.805 75.544 23.998 64.664 o 21 7 0 0.230 33.219 16.012 212.947 o 21 7 1 11.500 35.110 22.146 113.742 o 22 0 0 892.471 968.563 96.764 3.412 o 22 0 1 3.103 4.129 36.981 51.182 o 22 0 2 55.138 66.901 23.959 71.064 o 22 0 3 127.982 145.377 36.460 30.169 o 22 0 4 92.766 91.709 32.910 40.191 o 22 1 0 163.518 164.012 39.547 24.937 o 22 1 1 142.406 146.315 24.681 41.269 o 22 1 2 5.635 1.505 13.735 326.542 o 22 1 3 203.916 214.555 45.102 19.105 o 22 1 4 18.483 50.427 24.731 87.124 o 22 2 0 130.906 127.282 34.454 32.614 o 22 2 1 182.815 182.724 39.469 23.566 o 22 3 0 62.497 55.249 24.577 68.484 o 22 3 1 3.439 7.639 5.942 1035.700 o 22 4 0 13.172 -3.627 8.334 546.193 o 22 4 1 107.027 92.674 25.657 49.922 o 22 5 0 16.544 3.048 14.082 252.408 o 22 5 1 78.271 64.548 25.348 60.181 o ; _olex2_date_sample_data_collection 2017-06-17 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 1.197 _oxdiff_exptl_absorpt_empirical_full_min 0.837 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z 3 -x+1/2,y+1/2,-z 4 -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_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy O4 O 0.0123(2) 0.4224(3) 0.9763(3) 0.0454(11) Uani 1.000000 1 . . . H4 H 0.013(4) 0.3779(8) 1.0149(8) 0.0681(16) Uiso 1.000000 1 GR . . N1 N 0.1932(2) 0.3004(3) 0.8485(3) 0.0262(10) Uani 1.000000 1 . . . N3 N 0.2139(2) 0.3661(3) 0.7033(3) 0.0275(10) Uani 1.000000 1 . . . O2 O 0.5128(3) 0.2279(3) 0.9003(3) 0.0580(13) Uani 1.000000 1 . . . O3 O 0.5639(2) 0.1371(4) 0.7704(4) 0.0548(12) Uani 1.000000 1 . . . O5 O 0.0 0.5 1.1326(4) 0.0565(19) Uani 1.000000 2 S T P H5a H 0.005(10) 0.4472(18) 1.1535(4) 0.085(3) Uiso 0.500000 1 GR . . C24 C 0.2748(2) 0.2142(4) 0.7346(4) 0.0282(12) Uani 1.000000 1 . . . C5 C 0.1584(2) 0.3826(3) 0.8476(4) 0.0274(11) Uani 1.000000 1 . . . H5 H 0.1304(2) 0.4046(3) 0.8999(4) 0.0329(14) Uiso 1.000000 1 R . . C6 C 0.1473(3) 0.5168(4) 0.7242(4) 0.0295(12) Uani 1.000000 1 . . . C12 C 0.2317(3) 0.3738(4) 0.5941(4) 0.0273(11) Uani 1.000000 1 . . . C2 C 0.2275(2) 0.2913(3) 0.7599(4) 0.0247(11) Uani 1.000000 1 . . . C13 C 0.1797(3) 0.3543(4) 0.5235(4) 0.0299(12) Uani 1.000000 1 . . . C11 C 0.1829(3) 0.5719(4) 0.6574(4) 0.0362(13) Uani 1.000000 1 . . . H11 H 0.2242(3) 0.5509(4) 0.6296(4) 0.0434(16) Uiso 1.000000 1 R . . C16 C 0.3141(3) 0.3998(4) 0.4624(5) 0.0380(14) Uani 1.000000 1 . . . H16 H 0.3582(3) 0.4160(4) 0.4409(5) 0.0456(17) Uiso 1.000000 1 R . . C30 C 0.1884(3) 0.2289(4) 0.9273(4) 0.0325(13) Uani 1.000000 1 . . . C4 C 0.1711(3) 0.4258(3) 0.7603(4) 0.0293(12) Uani 1.000000 1 . . . C31 C 0.2271(3) 0.2407(4) 1.0169(4) 0.0305(12) Uani 1.000000 1 . . . C35 C 0.1479(3) 0.1510(4) 0.9059(4) 0.0294(12) Uani 1.000000 1 . . . C18 C 0.1058(3) 0.3290(4) 0.5530(4) 0.0323(13) Uani 1.000000 1 . . . H18 H 0.1023(3) 0.3312(4) 0.6277(4) 0.0388(15) Uiso 1.000000 1 R . . C17 C 0.3000(3) 0.3963(4) 0.5667(4) 0.0290(12) Uani 1.000000 1 . . . C25 C 0.2692(3) 0.1643(4) 0.6431(4) 0.0312(12) Uani 1.000000 1 . . . H25 H 0.2353(3) 0.1795(4) 0.5956(4) 0.0375(15) Uiso 1.000000 1 R . . C32 C 0.2235(3) 0.1681(4) 1.0878(5) 0.0412(14) Uani 1.000000 1 . . . H32 H 0.2477(3) 0.1728(4) 1.1489(5) 0.0494(17) Uiso 1.000000 1 R . . C7 C 0.0849(3) 0.5507(4) 0.7673(5) 0.0360(14) Uani 1.000000 1 . . . H7 H 0.0603(3) 0.5147(4) 0.8135(5) 0.0432(16) Uiso 1.000000 1 R . . C29 C 0.3264(3) 0.1946(4) 0.8050(4) 0.0340(13) Uani 1.000000 1 . . . H29 H 0.3312(3) 0.2294(4) 0.8643(4) 0.0408(16) Uiso 1.000000 1 R . . C15 C 0.2645(3) 0.3800(4) 0.3902(5) 0.0368(13) Uani 1.000000 1 . . . H15 H 0.2757(3) 0.3815(4) 0.3211(5) 0.0442(16) Uiso 1.000000 1 R . . C27 C 0.3655(3) 0.0692(4) 0.6951(5) 0.0420(15) Uani 1.000000 1 . . . H27 H 0.3954(3) 0.0203(4) 0.6831(5) 0.0504(18) Uiso 1.000000 1 R . . C36 C 0.1023(3) 0.1428(4) 0.8136(4) 0.0335(13) Uani 1.000000 1 . . . H36 H 0.1125(3) 0.1948(4) 0.7682(4) 0.0402(15) Uiso 1.000000 1 R . . C33 C 0.1857(3) 0.0918(4) 1.0695(5) 0.0398(14) Uani 1.000000 1 . . . H33 H 0.1857(3) 0.0444(4) 1.1173(5) 0.0478(17) Uiso 1.000000 1 R . . C21 C 0.3573(3) 0.4150(4) 0.6424(5) 0.0385(14) Uani 1.000000 1 . . . H21 H 0.3389(3) 0.4073(4) 0.7116(5) 0.0462(17) Uiso 1.000000 1 R . . C39 C 0.2684(3) 0.3280(4) 1.0390(5) 0.0355(13) Uani 1.000000 1 . . . H39 H 0.2794(3) 0.3576(4) 0.9737(5) 0.0426(16) Uiso 1.000000 1 R . . C41 C 0.2244(3) 0.3949(4) 1.1024(5) 0.0414(15) Uani 1.000000 1 . . . H41a H 0.1838(11) 0.411(2) 1.0646(14) 0.062(2) Uiso 1.000000 1 GR . . H41b H 0.2112(19) 0.3657(11) 1.1653(15) 0.062(2) Uiso 1.000000 1 GR . . H41c H 0.2507(8) 0.4493(13) 1.117(3) 0.062(2) Uiso 1.000000 1 GR . . C28 C 0.3707(3) 0.1216(4) 0.7844(5) 0.0419(15) Uani 1.000000 1 . . . H28 H 0.4048(3) 0.1071(4) 0.8316(5) 0.0503(18) Uiso 1.000000 1 R . . C9 C 0.0971(3) 0.6922(4) 0.6713(5) 0.0405(14) Uani 1.000000 1 . . . H9 H 0.0804(3) 0.7499(4) 0.6531(5) 0.0486(17) Uiso 1.000000 1 R . . C14 C 0.1971(3) 0.3576(4) 0.4208(5) 0.0340(13) Uani 1.000000 1 . . . H14 H 0.1637(3) 0.3449(4) 0.3717(5) 0.0408(16) Uiso 1.000000 1 R . . C38 C 0.1149(3) 0.0544(4) 0.7544(5) 0.0411(15) Uani 1.000000 1 . . . H38a H 0.1633(4) 0.0479(14) 0.741(3) 0.062(2) Uiso 1.000000 1 GR . . H38b H 0.0991(19) 0.0028(5) 0.7940(14) 0.062(2) Uiso 1.000000 1 GR . . H38c H 0.0901(17) 0.0565(12) 0.6909(15) 0.062(2) Uiso 1.000000 1 GR . . C26 C 0.3142(3) 0.0925(4) 0.6240(4) 0.0361(13) Uani 1.000000 1 . . . H26 H 0.3104(3) 0.0592(4) 0.5635(4) 0.0433(16) Uiso 1.000000 1 R . . C34 C 0.1471(3) 0.0826(4) 0.9819(5) 0.0411(14) Uani 1.000000 1 . . . H34 H 0.1201(3) 0.0302(4) 0.9729(5) 0.0493(17) Uiso 1.000000 1 R . . C8 C 0.0610(3) 0.6357(4) 0.7412(5) 0.0397(14) Uani 1.000000 1 . . . H8 H 0.0202(3) 0.6571(4) 0.7699(5) 0.0476(17) Uiso 1.000000 1 R . . C23 C 0.4175(3) 0.3458(4) 0.6273(5) 0.0387(14) Uani 1.000000 1 . . . H23a H 0.4003(5) 0.2840(4) 0.633(3) 0.058(2) Uiso 1.000000 1 GR . . H23b H 0.4375(14) 0.354(2) 0.5609(13) 0.058(2) Uiso 1.000000 1 GR . . H23c H 0.4520(10) 0.3560(19) 0.679(2) 0.058(2) Uiso 1.000000 1 GR . . C40 C 0.3371(3) 0.3051(5) 1.0941(5) 0.0435(15) Uani 1.000000 1 . . . H40a H 0.3274(3) 0.273(3) 1.1564(17) 0.065(2) Uiso 1.000000 1 GR . . H40b H 0.3652(10) 0.267(2) 1.0506(14) 0.065(2) Uiso 1.000000 1 GR . . H40c H 0.3612(11) 0.3612(5) 1.110(3) 0.065(2) Uiso 1.000000 1 GR . . B1 B 0.0 0.5 1.0310(8) 0.046(3) Uani 1.000000 2 S T P C20 C 0.0540(3) 0.3982(4) 0.5088(5) 0.0428(15) Uani 1.000000 1 . . . H20a H 0.0651(13) 0.4591(6) 0.532(3) 0.064(2) Uiso 1.000000 1 GR . . H20b H 0.0560(15) 0.397(2) 0.4355(5) 0.064(2) Uiso 1.000000 1 GR . . H20c H 0.0082(4) 0.3823(17) 0.531(3) 0.064(2) Uiso 1.000000 1 GR . . C42 C 0.5499(4) 0.2181(6) 0.8146(6) 0.056(2) Uani 1.000000 1 . . . C37 C 0.0246(3) 0.1501(5) 0.8468(5) 0.0467(16) Uani 1.000000 1 . . . H37a H 0.0128(7) 0.0982(17) 0.889(3) 0.070(2) Uiso 1.000000 1 GR . . H37b H 0.0177(6) 0.2059(16) 0.885(3) 0.070(2) Uiso 1.000000 1 GR . . H37c H -0.0042(3) 0.151(3) 0.7871(5) 0.070(2) Uiso 1.000000 1 GR . . C19 C 0.0856(3) 0.2316(4) 0.5180(5) 0.0427(15) Uani 1.000000 1 . . . H19a H 0.092(2) 0.2267(10) 0.4453(7) 0.064(2) Uiso 1.000000 1 GR . . H19b H 0.1143(15) 0.1872(5) 0.552(2) 0.064(2) Uiso 1.000000 1 GR . . H19c H 0.0382(7) 0.2203(11) 0.535(3) 0.064(2) Uiso 1.000000 1 GR . . C10 C 0.1585(3) 0.6586(4) 0.6305(5) 0.0414(15) Uani 1.000000 1 . . . H10 H 0.1834(3) 0.6946(4) 0.5847(5) 0.0497(18) Uiso 1.000000 1 R . . O1 O 0.5762(4) 0.2874(5) 0.7618(6) 0.100(2) Uani 1.000000 1 . . . H1 H 0.5454(12) 0.324(5) 0.747(9) 0.149(3) Uiso 1.000000 1 GR . . C22 C 0.3854(3) 0.5133(4) 0.6320(6) 0.0540(18) Uani 1.000000 1 . . . H22a H 0.400(2) 0.5238(12) 0.5628(10) 0.081(3) Uiso 1.000000 1 GR . . H22b H 0.3500(8) 0.5566(4) 0.650(4) 0.081(3) Uiso 1.000000 1 GR . . H22c H 0.4242(16) 0.5210(11) 0.677(3) 0.081(3) Uiso 1.000000 1 GR . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O4 0.049(2) 0.044(3) 0.043(2) -0.002(2) -0.003(2) 0.004(2) N1 0.027(2) 0.021(2) 0.031(2) 0.0028(18) -0.0006(19) 0.001(2) N3 0.024(2) 0.023(2) 0.035(2) -0.0009(19) -0.0008(18) -0.001(2) O2 0.068(3) 0.060(3) 0.045(3) 0.008(3) 0.018(2) 0.004(2) O3 0.049(2) 0.063(3) 0.053(3) 0.002(2) 0.007(2) -0.007(3) O5 0.080(5) 0.056(4) 0.034(3) -0.034(5) -0.000000 0.000000 C24 0.022(2) 0.023(3) 0.039(3) 0.004(2) 0.005(2) -0.005(2) C5 0.022(2) 0.024(3) 0.036(3) 0.004(2) 0.001(2) -0.000(3) C6 0.030(3) 0.025(3) 0.034(3) -0.004(2) -0.006(2) 0.001(2) C12 0.028(2) 0.023(3) 0.031(3) 0.002(2) 0.003(2) 0.008(2) C2 0.025(2) 0.019(3) 0.030(3) 0.000(2) -0.001(2) 0.002(2) C13 0.031(3) 0.020(3) 0.039(3) 0.002(2) 0.001(2) 0.001(2) C11 0.039(3) 0.027(3) 0.043(3) 0.005(3) 0.013(3) -0.002(3) C16 0.030(3) 0.036(3) 0.048(3) 0.002(3) 0.003(3) 0.011(3) C30 0.023(2) 0.033(3) 0.042(3) 0.002(2) 0.001(2) 0.010(3) C4 0.026(2) 0.018(3) 0.044(3) 0.001(2) 0.001(2) -0.001(2) C31 0.027(3) 0.030(3) 0.034(3) 0.005(2) -0.002(2) 0.001(3) C35 0.027(2) 0.025(3) 0.036(3) -0.000(2) -0.002(2) -0.002(3) C18 0.028(3) 0.034(3) 0.035(3) -0.003(2) -0.000(2) 0.003(3) C17 0.026(3) 0.021(3) 0.040(3) 0.006(2) -0.003(2) 0.002(2) C25 0.027(3) 0.032(3) 0.034(3) -0.000(2) -0.003(2) 0.001(3) C32 0.038(3) 0.048(4) 0.037(3) 0.004(3) -0.001(3) 0.002(3) C7 0.031(3) 0.031(3) 0.046(4) 0.002(2) 0.003(3) 0.008(3) C29 0.021(2) 0.042(3) 0.039(3) 0.005(2) 0.001(2) 0.001(3) C15 0.043(3) 0.032(3) 0.036(3) 0.007(3) 0.008(3) 0.006(3) C27 0.045(3) 0.031(3) 0.051(4) 0.015(3) 0.006(3) 0.002(3) C36 0.039(3) 0.026(3) 0.035(3) -0.000(3) 0.000(2) 0.004(3) C33 0.047(3) 0.030(3) 0.043(3) 0.002(3) -0.009(3) 0.012(3) C21 0.031(3) 0.034(3) 0.051(4) -0.002(3) -0.003(3) 0.003(3) C39 0.028(3) 0.035(3) 0.043(3) -0.002(3) -0.000(2) 0.000(3) C41 0.045(3) 0.041(4) 0.039(3) 0.001(3) 0.003(3) 0.002(3) C28 0.031(3) 0.048(4) 0.047(4) 0.010(3) -0.006(3) -0.000(3) C9 0.040(3) 0.029(3) 0.052(4) 0.013(3) -0.010(3) -0.002(3) C14 0.033(3) 0.026(3) 0.042(3) 0.002(2) -0.004(2) -0.001(3) C38 0.046(3) 0.031(3) 0.047(4) -0.002(3) -0.001(3) -0.009(3) C26 0.040(3) 0.029(3) 0.039(3) 0.005(3) 0.001(3) 0.006(3) C34 0.048(3) 0.031(3) 0.044(3) -0.005(3) 0.012(3) 0.005(3) C8 0.040(3) 0.028(3) 0.051(4) 0.012(3) -0.003(3) 0.000(3) C23 0.028(3) 0.042(3) 0.047(4) 0.002(3) 0.005(2) 0.004(3) C40 0.037(3) 0.051(4) 0.042(3) -0.009(3) -0.003(3) 0.008(3) B1 0.030(5) 0.067(8) 0.042(6) -0.016(5) -0.000000 0.000000 C20 0.034(3) 0.039(3) 0.056(4) 0.003(3) 0.006(3) -0.003(3) C42 0.048(4) 0.062(5) 0.059(4) -0.025(4) -0.012(3) 0.026(4) C37 0.030(3) 0.053(4) 0.057(4) -0.006(3) -0.003(3) -0.000(4) C19 0.032(3) 0.044(4) 0.052(4) 0.002(3) -0.006(3) -0.002(3) C10 0.055(4) 0.031(3) 0.038(3) -0.002(3) 0.001(3) 0.002(3) O1 0.104(5) 0.086(5) 0.109(5) -0.001(4) 0.026(5) -0.005(4) C22 0.040(3) 0.040(4) 0.082(5) -0.005(3) -0.003(3) 0.006(4) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source _atom_type_scat_dispersion_source H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236 57.79970 0.0030380000826 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870 51.65120 0.215599998832 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' B 0.00141 0.00067 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980 0.14030 -0.193200007081 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390 32.90890 0.250800013542 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750 0.58260 -11.5290002823 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' 'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2' 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 B1 O4 H4 109.5 . . C2 N1 C5 108.7(4) . . C30 N1 C5 126.2(4) . . C30 N1 C2 124.8(4) . . C2 N3 C12 123.4(4) . . C4 N3 C12 127.1(4) . . C4 N3 C2 108.7(4) . . H5a O5 H5a 141.1(9) 4_565 . B1 O5 H5a 109.5 . . B1 O5 H5a 109.5 . 4_565 C25 C24 C2 122.2(5) . . C29 C24 C2 116.8(5) . . C29 C24 C25 121.1(5) . . H5 C5 N1 125.4(3) . . C4 C5 N1 109.1(5) . . C4 C5 H5 125.4(3) . . C4 C6 C11 124.6(5) . . C7 C6 C11 118.7(5) . . C7 C6 C4 116.7(5) . . C13 C12 N3 117.2(4) . . C17 C12 N3 119.0(5) . . C17 C12 C13 123.8(5) . . N3 C2 N1 107.5(4) . . C24 C2 N1 124.9(4) . . C24 C2 N3 127.5(5) . . C18 C13 C12 123.9(5) . . C14 C13 C12 117.4(5) . . C14 C13 C18 118.7(5) . . H11 C11 C6 119.4(3) . . C10 C11 C6 121.1(5) . . C10 C11 H11 119.4(4) . . C17 C16 H16 119.1(3) . . C15 C16 H16 119.1(3) . . C15 C16 C17 121.9(5) . . C31 C30 N1 117.9(5) . . C35 C30 N1 117.7(5) . . C35 C30 C31 124.3(5) . . C5 C4 N3 105.9(4) . . C6 C4 N3 124.3(5) . . C6 C4 C5 129.8(5) . . C32 C31 C30 115.7(5) . . C39 C31 C30 122.6(5) . . C39 C31 C32 121.6(5) . . C36 C35 C30 123.5(5) . . C34 C35 C30 115.7(5) . . C34 C35 C36 120.5(5) . . H18 C18 C13 108.0(3) . . C20 C18 C13 111.2(4) . . C20 C18 H18 108.0(3) . . C19 C18 C13 112.6(5) . . C19 C18 H18 108.0(3) . . C19 C18 C20 108.8(5) . . C16 C17 C12 116.2(5) . . C21 C17 C12 124.4(5) . . C21 C17 C16 119.4(5) . . H25 C25 C24 120.2(3) . . C26 C25 C24 119.7(5) . . C26 C25 H25 120.2(3) . . H32 C32 C31 119.2(3) . . C33 C32 C31 121.7(5) . . C33 C32 H32 119.2(4) . . H7 C7 C6 119.9(3) . . C8 C7 C6 120.2(6) . . C8 C7 H7 119.9(4) . . H29 C29 C24 120.9(3) . . C28 C29 C24 118.1(5) . . C28 C29 H29 120.9(3) . . H15 C15 C16 120.0(3) . . C14 C15 C16 120.1(5) . . C14 C15 H15 120.0(3) . . C28 C27 H27 120.8(3) . . C26 C27 H27 120.8(3) . . C26 C27 C28 118.3(5) . . H36 C36 C35 108.0(3) . . C38 C36 C35 112.5(5) . . C38 C36 H36 108.0(3) . . C37 C36 C35 109.7(5) . . C37 C36 H36 108.0(3) . . C37 C36 C38 110.6(5) . . H33 C33 C32 119.2(4) . . C34 C33 C32 121.6(6) . . C34 C33 H33 119.2(3) . . H21 C21 C17 108.5(3) . . C23 C21 C17 110.6(5) . . C23 C21 H21 108.5(3) . . C22 C21 C17 111.7(5) . . C22 C21 H21 108.5(4) . . C22 C21 C23 108.9(5) . . H39 C39 C31 108.3(3) . . C41 C39 C31 109.6(4) . . C41 C39 H39 108.3(3) . . C40 C39 C31 111.1(5) . . C40 C39 H39 108.3(3) . . C40 C39 C41 111.1(5) . . H41a C41 C39 109.5 . . H41b C41 C39 109.5 . . H41b C41 H41a 109.5 . . H41c C41 C39 109.5 . . H41c C41 H41a 109.5 . . H41c C41 H41b 109.5 . . C27 C28 C29 122.2(5) . . H28 C28 C29 118.9(3) . . H28 C28 C27 118.9(3) . . C8 C9 H9 121.0(3) . . C10 C9 H9 121.0(4) . . C10 C9 C8 117.9(5) . . C15 C14 C13 120.7(5) . . H14 C14 C13 119.7(3) . . H14 C14 C15 119.7(3) . . H38a C38 C36 109.5 . . H38b C38 C36 109.5 . . H38b C38 H38a 109.5 . . H38c C38 C36 109.5 . . H38c C38 H38a 109.5 . . H38c C38 H38b 109.5 . . C27 C26 C25 120.6(5) . . H26 C26 C25 119.7(3) . . H26 C26 C27 119.7(3) . . C33 C34 C35 121.0(5) . . H34 C34 C35 119.5(3) . . H34 C34 C33 119.5(3) . . C9 C8 C7 121.3(5) . . H8 C8 C7 119.3(4) . . H8 C8 C9 119.3(3) . . H23a C23 C21 109.5 . . H23b C23 C21 109.5 . . H23b C23 H23a 109.5 . . H23c C23 C21 109.5 . . H23c C23 H23a 109.5 . . H23c C23 H23b 109.5 . . H40a C40 C39 109.5 . . H40b C40 C39 109.5 . . H40b C40 H40a 109.5 . . H40c C40 C39 109.5 . . H40c C40 H40a 109.5 . . H40c C40 H40b 109.5 . . O4 B1 O4 116.3(8) 4_565 . O5 B1 O4 121.9(4) . . O5 B1 O4 121.9(4) . 4_565 H20a C20 C18 109.5 . . H20b C20 C18 109.5 . . H20b C20 H20a 109.5 . . H20c C20 C18 109.5 . . H20c C20 H20a 109.5 . . H20c C20 H20b 109.5 . . O3 C42 O2 124.3(6) . . O1 C42 O2 124.3(8) . . O1 C42 O3 111.4(7) . . H37a C37 C36 109.5 . . H37b C37 C36 109.5 . . H37b C37 H37a 109.5 . . H37c C37 C36 109.5 . . H37c C37 H37a 109.5 . . H37c C37 H37b 109.5 . . H19a C19 C18 109.5 . . H19b C19 C18 109.5 . . H19b C19 H19a 109.5 . . H19c C19 C18 109.5 . . H19c C19 H19a 109.5 . . H19c C19 H19b 109.5 . . C9 C10 C11 120.8(6) . . H10 C10 C11 119.6(4) . . H10 C10 C9 119.6(4) . . H1 O1 C42 109.5 . . H22a C22 C21 109.5 . . H22b C22 C21 109.5 . . H22b C22 H22a 109.5 . . H22c C22 C21 109.5 . . H22c C22 H22a 109.5 . . H22c C22 H22b 109.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 O4 H4 0.8200 . O4 B1 1.356(7) . N1 C5 1.371(6) . N1 C2 1.343(6) . N1 C30 1.464(7) . N3 C12 1.474(6) . N3 C2 1.341(6) . N3 C4 1.412(7) . O2 C42 1.339(8) . O3 C42 1.338(9) . O5 H5a 0.8200 . O5 H5a 0.8200 4_565 O5 B1 1.329(12) . C24 C2 1.484(7) . C24 C25 1.402(7) . C24 C29 1.390(7) . C5 H5 0.9300 . C5 C4 1.326(7) . C6 C11 1.371(8) . C6 C4 1.477(7) . C6 C7 1.422(7) . C12 C13 1.396(7) . C12 C17 1.409(7) . C13 C18 1.529(7) . C13 C14 1.385(8) . C11 H11 0.9300 . C11 C10 1.391(8) . C16 H16 0.9300 . C16 C17 1.392(8) . C16 C15 1.378(8) . C30 C31 1.403(7) . C30 C35 1.405(7) . C31 C32 1.405(8) . C31 C39 1.526(8) . C35 C36 1.501(7) . C35 C34 1.406(8) . C18 H18 0.9800 . C18 C20 1.534(8) . C18 C19 1.537(8) . C17 C21 1.513(7) . C25 H25 0.9300 . C25 C26 1.382(8) . C32 H32 0.9300 . C32 C33 1.349(8) . C7 H7 0.9300 . C7 C8 1.361(8) . C29 H29 0.9300 . C29 C28 1.389(8) . C15 H15 0.9300 . C15 C14 1.405(8) . C27 H27 0.9300 . C27 C28 1.397(9) . C27 C26 1.403(8) . C36 H36 0.9800 . C36 C38 1.519(8) . C36 C37 1.571(8) . C33 H33 0.9300 . C33 C34 1.374(8) . C21 H21 0.9800 . C21 C23 1.553(8) . C21 C22 1.532(8) . C39 H39 0.9800 . C39 C41 1.536(8) . C39 C40 1.549(8) . C41 H41a 0.9600 . C41 H41b 0.9600 . C41 H41c 0.9600 . C28 H28 0.9300 . C9 H9 0.9300 . C9 C8 1.413(9) . C9 C10 1.390(8) . C14 H14 0.9300 . C38 H38a 0.9600 . C38 H38b 0.9600 . C38 H38c 0.9600 . C26 H26 0.9300 . C34 H34 0.9300 . C8 H8 0.9300 . C23 H23a 0.9600 . C23 H23b 0.9600 . C23 H23c 0.9600 . C40 H40a 0.9600 . C40 H40b 0.9600 . C40 H40c 0.9600 . C20 H20a 0.9600 . C20 H20b 0.9600 . C20 H20c 0.9600 . C42 O1 1.322(9) . C37 H37a 0.9600 . C37 H37b 0.9600 . C37 H37c 0.9600 . C19 H19a 0.9600 . C19 H19b 0.9600 . C19 H19c 0.9600 . C10 H10 0.9300 . O1 H1 0.8200 . C22 H22a 0.9600 . C22 H22b 0.9600 . C22 H22c 0.9600 . loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons 1 0.000 0.000 0.111 81.3 33.8 2 0.000 0.000 0.587 33.2 1.1 3 0.156 0.563 0.984 9.4 0.6 4 0.344 0.063 0.016 9.4 0.6 5 0.500 0.500 0.889 81.3 33.8 6 0.500 0.500 0.413 33.2 1.1 7 0.656 0.937 0.016 9.4 0.6 8 0.844 0.437 -0.016 9.4 0.6