#------------------------------------------------------------------------------ #$Date: 2020-07-06 04:53:51 +0300 (Mon, 06 Jul 2020) $ #$Revision: 253799 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126524.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_7126524 loop_ _publ_author_name 'Cui, Yunshu' 'Xiang, Libo' 'Wang, Junyi' 'Li, Chunlei' 'Hao, Wei' 'Ye, Qing' _publ_section_title ; Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine. ; _journal_issue 50 _journal_name_full 'Chemical communications (Cambridge, England)' _journal_page_first 6794 _journal_page_last 6797 _journal_paper_doi 10.1039/d0cc01575j _journal_volume 56 _journal_year 2020 _chemical_formula_moiety 'C86 H100 B2 N8' _chemical_formula_sum 'C86 H100 B2 N8' _chemical_formula_weight 1267.37 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2yn' _space_group_name_H-M_alt 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _audit_creation_date 2019-12-27 _audit_creation_method ; Olex2 1.3 (compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938) ; _audit_update_record ; 2020-02-27 deposited with the CCDC. 2020-05-12 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 111.157(3) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.282(2) _cell_length_b 30.185(4) _cell_length_c 18.933(2) _cell_measurement_reflns_used 9486 _cell_measurement_temperature 99.92 _cell_measurement_theta_max 24.70 _cell_measurement_theta_min 2.30 _cell_volume 9210.8(19) _computing_cell_refinement 'SAINT V8.38A (?, 2016)' _computing_data_reduction 'SAINT V8.38A (?, 2016)' _computing_structure_refinement 'XL n/a (Sheldrick, 2008)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 99.92 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1113 _diffrn_reflns_av_unetI/netI 0.0954 _diffrn_reflns_Laue_measured_fraction_full 0.997 _diffrn_reflns_Laue_measured_fraction_max 0.997 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_k_max 35 _diffrn_reflns_limit_k_min -35 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_number 88147 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.997 _diffrn_reflns_theta_full 24.774 _diffrn_reflns_theta_max 24.774 _diffrn_reflns_theta_min 2.296 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 0.053 _exptl_absorpt_correction_T_max 0.7451 _exptl_absorpt_correction_T_min 0.6499 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0831 before and 0.0602 after correction. The Ratio of minimum to maximum transmission is 0.8722. The \l/2 correction factor is Not present. ; _exptl_crystal_colour 'clear violet' _exptl_crystal_colour_lustre clear _exptl_crystal_colour_primary violet _exptl_crystal_density_diffrn 0.914 _exptl_crystal_description prism _exptl_crystal_F_000 2728 _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.168 _exptl_crystal_size_min 0.154 _refine_diff_density_max 0.197 _refine_diff_density_min -0.264 _refine_diff_density_rms 0.041 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 885 _refine_ls_number_reflns 15742 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.045 _refine_ls_R_factor_all 0.1351 _refine_ls_R_factor_gt 0.0731 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1138P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1981 _refine_ls_wR_factor_ref 0.2251 _reflns_Friedel_coverage 0.000 _reflns_number_gt 8095 _reflns_number_total 15742 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0cc01575j2.cif _cod_data_source_block 3 _cod_depositor_comments 'Adding full bibliography for 7126523--7126527.cif.' _cod_original_cell_volume 9211(2) _cod_database_code 7126524 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _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 2.a Ternary CH refined with riding coordinates: C019(H019), C18(H18), C21(H21), C30(H30), C33(H33), C60(H60), C69(H69), C72(H72) 2.b Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C4(H4), C5(H5), C6(H6), C00P(H00P), C15(H15), C14(H14), C16(H16), C26(H26), C27(H27), C28(H28), C36(H36), C37(H37), C39(H39), C40(H40), C46(H46), C47(H47), C49(H49), C50(H50), C53(H53), C54(H54), C55(H55), C65(H65), C66(H66), C67(H67), C78(H78), C79(H79), C80(H80), C83(H83), C84(H84), C85(H85) 2.c Idealised Me refined as rotating group: C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,H23B, H23C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A, H35B,H35C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C44(H44A,H44B,H44C), C48(H48A,H48B,H48C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C61(H61A,H61B, H61C), C62(H62A,H62B,H62C), C70(H70A,H70B,H70C), C71(H71A,H71B,H71C), C73(H73A, H73B,H73C), C74(H74A,H74B,H74C) ; _smtbx_masks_void_probe_radius 1.2 _smtbx_masks_void_truncation_radius 1.2 _shelx_res_file ; TITL 2_a.res in P2(1)/n 2_a.res created by SHELXL-2016/6 at 18:10:03 on 27-Dec-2019 REM Old TITL 2 in P21/n #14 REM SHELXT solution in P2(1)/n REM R1 0.291, Rweak 0.052, Alpha 0.065, Orientation as input REM Formula found by SHELXT: C91 N9 CELL 0.71073 17.2818 30.1849 18.9334 90 111.157 90 ZERR 184 0.0021 0.0037 0.0023 0 0.003 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H B N UNIT 344 400 8 32 L.S. 99 PLAN 47 TEMP -173.23 CONF BOND $H LIST 4 ABIN MORE -1 fmap 2 acta REM REM REM WGHT 0.113800 FVAR 0.31000 N1 4 0.415651 0.493959 0.747105 11.00000 0.04625 0.02817 = 0.03789 0.00072 0.00738 0.00346 B1 3 0.465116 0.453612 0.764146 11.00000 0.04372 0.03398 = 0.03198 -0.00231 0.00479 -0.00040 C1 1 0.234777 0.434815 0.943365 11.00000 0.05797 0.06084 = 0.04104 -0.00882 0.01707 -0.01185 AFIX 43 H1 2 0.222649 0.415643 0.977798 11.00000 -1.20000 AFIX 0 N2 4 0.437111 0.428731 0.816507 11.00000 0.04332 0.02951 = 0.03129 0.00098 0.00450 0.00281 B2 3 0.939041 0.332144 0.659708 11.00000 0.04732 0.02822 = 0.06265 0.00798 0.01302 0.00212 C2 1 0.189780 0.472817 0.920919 11.00000 0.05195 0.07192 = 0.04613 -0.01384 0.01557 -0.00277 AFIX 43 H2 2 0.146564 0.479254 0.939225 11.00000 -1.20000 AFIX 0 C3 1 0.206594 0.502785 0.870735 11.00000 0.04032 0.05087 = 0.04076 -0.01003 0.00346 -0.00786 N3 4 0.526479 0.440275 0.734227 11.00000 0.05144 0.03357 = 0.03682 0.00587 0.01104 0.00640 C4 1 0.163773 0.542872 0.842062 11.00000 0.04920 0.05672 = 0.05293 -0.01399 0.01146 0.00497 AFIX 43 H4 2 0.119465 0.552175 0.857047 11.00000 -1.20000 AFIX 0 N4 4 0.625319 0.391617 0.590290 11.00000 0.05013 0.04634 = 0.04892 -0.00267 0.01020 0.00984 C5 1 0.186590 0.567931 0.792918 11.00000 0.05185 0.04689 = 0.04957 -0.00820 0.00221 0.01030 AFIX 43 H5 2 0.156808 0.594477 0.773946 11.00000 -1.20000 AFIX 0 N5 4 0.773377 0.454661 0.753660 11.00000 0.05561 0.05118 = 0.05954 -0.00621 0.01537 -0.00011 N6 4 0.876906 0.358457 0.673522 11.00000 0.04795 0.03420 = 0.06889 0.01570 0.01949 0.01097 C6 1 0.252835 0.556284 0.768629 11.00000 0.04941 0.03863 = 0.03792 -0.00265 0.00573 0.00391 AFIX 43 H6 2 0.267796 0.574598 0.734790 11.00000 -1.20000 AFIX 0 N7 4 0.979118 0.340367 0.605904 11.00000 0.04273 0.02947 = 0.05614 0.00616 0.00767 0.00304 C7 1 0.294535 0.517200 0.796327 11.00000 0.03775 0.03830 = 0.03443 -0.01032 0.00266 -0.00220 C8 1 0.269174 0.491358 0.846273 11.00000 0.04200 0.03783 = 0.03455 -0.00810 0.00787 -0.00413 N8 4 0.975840 0.291153 0.699066 11.00000 0.04707 0.03860 = 0.07237 0.01785 0.01822 0.00615 C9 1 0.317177 0.451733 0.868124 11.00000 0.04568 0.03650 = 0.03119 -0.00776 0.00322 -0.00663 C00P 1 0.298496 0.423110 0.917195 11.00000 0.05671 0.04204 = 0.03365 -0.00358 0.00374 -0.00658 AFIX 43 H00P 2 0.328189 0.396165 0.932756 11.00000 -1.20000 AFIX 0 C10 1 0.374560 0.453728 0.827560 11.00000 0.04224 0.03702 = 0.03304 -0.00447 0.00508 -0.00361 C11 1 0.362509 0.491831 0.786672 11.00000 0.04337 0.02988 = 0.03464 -0.00329 0.00623 -0.00059 C12 1 0.422769 0.535201 0.710000 11.00000 0.04221 0.03331 = 0.03974 0.00522 0.01036 0.00390 C13 1 0.471946 0.569254 0.755162 11.00000 0.04626 0.03445 = 0.04102 0.00266 0.00991 0.00552 C15 1 0.437799 0.614063 0.643307 11.00000 0.06063 0.04209 = 0.06563 0.01454 0.02232 0.00237 AFIX 43 H15 2 0.442955 0.641317 0.620299 11.00000 -1.20000 AFIX 0 C14 1 0.478683 0.608029 0.719410 11.00000 0.05710 0.03646 = 0.05819 0.00541 0.01573 -0.00405 AFIX 43 H14 2 0.512636 0.631214 0.748375 11.00000 -1.20000 AFIX 0 C16 1 0.388947 0.580478 0.599853 11.00000 0.06252 0.04724 = 0.04582 0.01140 0.01260 0.00823 AFIX 43 H16 2 0.361494 0.584706 0.546922 11.00000 -1.20000 AFIX 0 C17 1 0.379444 0.540118 0.633148 11.00000 0.05501 0.03734 = 0.04110 0.00262 0.00826 0.00634 C019 1 1.086449 0.415911 0.654945 11.00000 0.06951 0.03204 = 0.05466 0.00018 -0.00063 -0.00529 AFIX 13 H019 2 1.096010 0.385677 0.678093 11.00000 -1.20000 AFIX 0 C19 1 0.357608 0.489228 0.523776 11.00000 0.08049 0.09053 = 0.06353 -0.02998 -0.00409 0.02860 AFIX 137 H19A 2 0.322143 0.465615 0.493368 11.00000 -1.50000 H19B 2 0.414323 0.478067 0.548090 11.00000 -1.50000 H19C 2 0.357697 0.514318 0.490956 11.00000 -1.50000 AFIX 0 C18 1 0.324396 0.504299 0.584340 11.00000 0.07366 0.04029 = 0.04545 0.00303 0.00171 0.00450 AFIX 13 H18 2 0.325611 0.478330 0.617518 11.00000 -1.20000 AFIX 0 C20 1 0.234608 0.520602 0.549569 11.00000 0.06188 0.06301 = 0.05720 0.00000 0.00747 -0.00574 AFIX 137 H20A 2 0.232164 0.546562 0.517748 11.00000 -1.50000 H20B 2 0.214542 0.528683 0.590089 11.00000 -1.50000 H20C 2 0.199670 0.496993 0.518621 11.00000 -1.50000 AFIX 0 C21 1 0.519679 0.563127 0.839085 11.00000 0.05482 0.04129 = 0.05068 -0.00328 0.00774 -0.00550 AFIX 13 H21 2 0.498640 0.535516 0.855202 11.00000 -1.20000 AFIX 0 C22 1 0.611837 0.556310 0.853860 11.00000 0.06057 0.08999 = 0.05066 -0.01483 -0.00063 0.00690 AFIX 137 H22A 2 0.619050 0.529582 0.827501 11.00000 -1.50000 H22B 2 0.642213 0.552960 0.908387 11.00000 -1.50000 H22C 2 0.633345 0.582015 0.835168 11.00000 -1.50000 AFIX 0 C24 1 0.463977 0.388027 0.859420 11.00000 0.04708 0.03017 = 0.03106 0.00283 0.00428 0.00499 C23 1 0.506145 0.601323 0.886234 11.00000 0.07842 0.05381 = 0.05754 -0.01346 0.02197 -0.01081 AFIX 137 H23A 2 0.528529 0.628698 0.873327 11.00000 -1.50000 H23B 2 0.534601 0.594843 0.940169 11.00000 -1.50000 H23C 2 0.446617 0.604942 0.875465 11.00000 -1.50000 AFIX 0 C025 1 0.892907 0.238477 0.738239 11.00000 0.05944 0.05049 = 0.11171 0.02882 0.03353 0.01305 C25 1 0.539962 0.388022 0.920332 11.00000 0.05414 0.03467 = 0.02918 -0.00198 0.00320 0.00627 C26 1 0.560774 0.349816 0.963980 11.00000 0.05753 0.05099 = 0.03699 0.00300 -0.00486 0.00766 AFIX 43 H26 2 0.611785 0.348561 1.005845 11.00000 -1.20000 AFIX 0 C27 1 0.508407 0.313627 0.947418 11.00000 0.07830 0.04126 = 0.05505 0.01693 0.00747 0.01168 AFIX 43 H27 2 0.522605 0.288299 0.979319 11.00000 -1.20000 AFIX 0 C28 1 0.436247 0.313846 0.885527 11.00000 0.06654 0.03456 = 0.05938 0.00587 0.00264 0.00016 AFIX 43 H28 2 0.402011 0.288230 0.873630 11.00000 -1.20000 AFIX 0 C29 1 0.412621 0.351330 0.839855 11.00000 0.05700 0.02976 = 0.04260 -0.00004 0.00696 0.00293 C30 1 0.335227 0.350361 0.768736 11.00000 0.05718 0.04403 = 0.05391 0.00300 -0.01016 -0.00753 AFIX 13 H30 2 0.317317 0.381713 0.755166 11.00000 -1.20000 AFIX 0 C31 1 0.354040 0.330714 0.703816 11.00000 0.07593 0.18003 = 0.04619 -0.02559 -0.00624 -0.03024 AFIX 137 H31A 2 0.304332 0.332075 0.657708 11.00000 -1.50000 H31B 2 0.371111 0.299763 0.715196 11.00000 -1.50000 H31C 2 0.398949 0.347488 0.696193 11.00000 -1.50000 AFIX 0 C32 1 0.263018 0.325784 0.778403 11.00000 0.06444 0.07895 = 0.07506 -0.01303 0.00417 -0.01073 AFIX 137 H32A 2 0.212624 0.330978 0.734046 11.00000 -1.50000 H32B 2 0.254634 0.336533 0.823959 11.00000 -1.50000 H32C 2 0.275196 0.293982 0.783445 11.00000 -1.50000 AFIX 0 C33 1 0.597987 0.427771 0.937846 11.00000 0.05026 0.04980 = 0.03544 -0.00051 0.00106 0.00017 AFIX 13 H33 2 0.591907 0.442051 0.888467 11.00000 -1.20000 AFIX 0 C34 1 0.688852 0.416189 0.977013 11.00000 0.05763 0.08013 = 0.05679 -0.00544 0.00371 -0.00452 AFIX 137 H34A 2 0.703983 0.392673 0.948715 11.00000 -1.50000 H34B 2 0.698453 0.405928 1.028598 11.00000 -1.50000 H34C 2 0.722870 0.442477 0.979049 11.00000 -1.50000 AFIX 0 C35 1 0.572466 0.462114 0.984980 11.00000 0.06770 0.05304 = 0.04934 -0.01253 0.00640 -0.01058 AFIX 137 H35A 2 0.606819 0.488704 0.991098 11.00000 -1.50000 H35B 2 0.580295 0.449658 1.034892 11.00000 -1.50000 H35C 2 0.513967 0.469938 0.959085 11.00000 -1.50000 AFIX 0 C36 1 0.558639 0.397430 0.743682 11.00000 0.05682 0.03491 = 0.04214 0.00495 0.01381 0.00776 AFIX 43 H36 2 0.538111 0.376818 0.770572 11.00000 -1.20000 AFIX 0 C37 1 0.616111 0.383566 0.717531 11.00000 0.05622 0.03588 = 0.05169 0.00987 0.01297 0.00913 AFIX 43 H37 2 0.636671 0.354290 0.730038 11.00000 -1.20000 AFIX 0 C38 1 0.650893 0.410648 0.669812 11.00000 0.05503 0.04161 = 0.04565 0.00268 0.01627 0.00947 C39 1 0.613956 0.456661 0.663155 11.00000 0.05384 0.03741 = 0.04801 0.00650 0.01691 0.00868 AFIX 43 H39 2 0.632123 0.478350 0.636235 11.00000 -1.20000 AFIX 0 C40 1 0.558902 0.468557 0.691852 11.00000 0.05152 0.03839 = 0.04260 0.00419 0.01416 0.00811 AFIX 43 H40 2 0.539185 0.498200 0.683805 11.00000 -1.20000 AFIX 0 C41 1 0.647712 0.345590 0.586407 11.00000 0.06948 0.04972 = 0.07138 -0.00148 0.02926 0.00811 AFIX 137 H41A 2 0.635998 0.337385 0.533471 11.00000 -1.50000 H41B 2 0.615285 0.326725 0.607546 11.00000 -1.50000 H41C 2 0.706977 0.341577 0.615583 11.00000 -1.50000 AFIX 0 C42 1 0.535717 0.395425 0.549441 11.00000 0.06363 0.07116 = 0.05714 -0.00747 0.01667 0.00383 AFIX 137 H42A 2 0.519904 0.426773 0.543840 11.00000 -1.50000 H42B 2 0.506227 0.380163 0.577895 11.00000 -1.50000 H42C 2 0.521061 0.381886 0.499252 11.00000 -1.50000 AFIX 0 C43 1 0.750358 0.414149 0.703161 11.00000 0.05386 0.04414 = 0.04885 0.01036 0.01464 0.01072 C44 1 0.754564 0.452083 0.823470 11.00000 0.06380 0.07627 = 0.05871 -0.00832 0.01874 0.00395 AFIX 137 H44A 2 0.697001 0.442451 0.811009 11.00000 -1.50000 H44B 2 0.762170 0.481324 0.847516 11.00000 -1.50000 H44C 2 0.792003 0.430760 0.858337 11.00000 -1.50000 AFIX 0 C46 1 0.782301 0.420470 0.640267 11.00000 0.04922 0.03778 = 0.05253 0.00956 0.01117 0.01365 AFIX 43 H46 2 0.759450 0.444135 0.605986 11.00000 -1.20000 AFIX 0 C47 1 0.791142 0.373731 0.746848 11.00000 0.05635 0.05255 = 0.05438 0.01328 0.01559 0.00891 AFIX 43 H47 2 0.773848 0.364010 0.786546 11.00000 -1.20000 AFIX 0 C48 1 0.862015 0.466352 0.774489 11.00000 0.06766 0.07522 = 0.08178 -0.01440 0.01695 -0.00508 AFIX 137 H48A 2 0.873624 0.472611 0.728494 11.00000 -1.50000 H48B 2 0.896554 0.441546 0.801703 11.00000 -1.50000 H48C 2 0.874559 0.492639 0.807060 11.00000 -1.50000 AFIX 0 C49 1 0.839500 0.395959 0.628409 11.00000 0.05168 0.03425 = 0.04866 0.00750 0.01004 0.00074 AFIX 43 H49 2 0.856695 0.403682 0.587687 11.00000 -1.20000 AFIX 0 C50 1 0.850092 0.350587 0.733527 11.00000 0.05543 0.04638 = 0.06442 0.01974 0.01795 0.01149 AFIX 43 H50 2 0.875617 0.327088 0.767275 11.00000 -1.20000 AFIX 0 C51 1 0.974314 0.374861 0.551061 11.00000 0.04254 0.02577 = 0.04298 0.00294 0.00633 0.00296 C52 1 0.920577 0.369161 0.476996 11.00000 0.06334 0.03961 = 0.05337 -0.00875 -0.00609 0.01045 C53 1 0.920482 0.401589 0.424890 11.00000 0.08486 0.07039 = 0.03642 -0.00292 -0.00521 0.02562 AFIX 43 H53 2 0.883737 0.398703 0.373822 11.00000 -1.20000 AFIX 0 C54 1 0.971712 0.437410 0.445140 11.00000 0.08913 0.07282 = 0.05307 0.02245 0.02171 0.01030 AFIX 43 H54 2 0.970778 0.459010 0.408348 11.00000 -1.20000 AFIX 0 C55 1 1.024844 0.442244 0.519035 11.00000 0.07159 0.05348 = 0.06603 0.01604 0.00982 -0.00723 AFIX 43 H55 2 1.060538 0.467253 0.532963 11.00000 -1.20000 AFIX 0 C56 1 1.026861 0.410749 0.573829 11.00000 0.04520 0.03573 = 0.04473 0.00939 0.00287 0.00049 C58 1 1.051138 0.443693 0.701078 11.00000 0.07423 0.10368 = 0.05003 -0.00935 0.00591 -0.01353 AFIX 137 H58A 2 1.040415 0.473632 0.679722 11.00000 -1.50000 H58B 2 1.090712 0.445186 0.753341 11.00000 -1.50000 H58C 2 0.999079 0.430522 0.700493 11.00000 -1.50000 AFIX 0 C59 1 1.170288 0.433908 0.660459 11.00000 0.05805 0.07570 = 0.09799 -0.02422 -0.00233 -0.00422 AFIX 137 H59A 2 1.191600 0.416554 0.627674 11.00000 -1.50000 H59B 2 1.209036 0.431845 0.712978 11.00000 -1.50000 H59C 2 1.164451 0.464965 0.644292 11.00000 -1.50000 AFIX 0 C60 1 0.862754 0.329271 0.452718 11.00000 0.09742 0.03730 = 0.10196 -0.01821 -0.03992 0.00699 AFIX 13 H60 2 0.876805 0.308467 0.496672 11.00000 -1.20000 AFIX 0 C61 1 0.772078 0.342701 0.430975 11.00000 0.08717 0.06200 = 0.10008 -0.02501 -0.00616 -0.01398 AFIX 137 H61A 2 0.758122 0.365024 0.390721 11.00000 -1.50000 H61B 2 0.763213 0.355078 0.475308 11.00000 -1.50000 H61C 2 0.736606 0.316636 0.412920 11.00000 -1.50000 AFIX 0 C62 1 0.875690 0.304825 0.387334 11.00000 0.09981 0.12650 = 0.23618 -0.13585 -0.04475 0.04905 AFIX 137 H62A 2 0.836879 0.279900 0.371603 11.00000 -1.50000 H62B 2 0.932749 0.293702 0.403776 11.00000 -1.50000 H62C 2 0.865753 0.325167 0.344616 11.00000 -1.50000 AFIX 0 C63 1 0.961906 0.264854 0.757486 11.00000 0.05459 0.03852 = 0.10127 0.02347 0.03835 0.00831 C64 1 1.021348 0.267653 0.831937 11.00000 0.07685 0.05293 = 0.07855 0.02800 0.02615 0.02571 C65 1 1.007799 0.241390 0.887083 11.00000 0.09938 0.06692 = 0.10702 0.03711 0.04929 0.02648 AFIX 43 H65 2 1.045735 0.242604 0.937935 11.00000 -1.20000 AFIX 0 C66 1 0.940942 0.214146 0.868718 11.00000 0.11593 0.07091 = 0.13342 0.05351 0.06421 0.03621 AFIX 43 H66 2 0.934282 0.195805 0.906903 11.00000 -1.20000 AFIX 0 C67 1 0.882469 0.212234 0.796541 11.00000 0.08420 0.05286 = 0.15702 0.02981 0.06838 0.01101 AFIX 43 H67 2 0.835431 0.193497 0.785747 11.00000 -1.20000 AFIX 0 C69 1 0.830083 0.237134 0.658790 11.00000 0.06306 0.04100 = 0.14310 0.00371 0.04197 -0.00211 AFIX 13 H69 2 0.832449 0.266863 0.636347 11.00000 -1.20000 AFIX 0 C70 1 0.854223 0.203968 0.610575 11.00000 0.06111 0.09685 = 0.15828 -0.01193 0.00970 0.00913 AFIX 137 H70A 2 0.819929 0.208570 0.557168 11.00000 -1.50000 H70B 2 0.845568 0.173870 0.625678 11.00000 -1.50000 H70C 2 0.912822 0.207960 0.617616 11.00000 -1.50000 AFIX 0 C71 1 0.739811 0.230745 0.652244 11.00000 0.06255 0.09146 = 0.19178 0.01345 0.04157 -0.00367 AFIX 137 H71A 2 0.703308 0.232899 0.598965 11.00000 -1.50000 H71B 2 0.724907 0.253746 0.681590 11.00000 -1.50000 H71C 2 0.733471 0.201504 0.671989 11.00000 -1.50000 AFIX 0 C72 1 1.093498 0.298998 0.852212 11.00000 0.06116 0.07993 = 0.07266 0.02020 0.01173 0.00546 AFIX 13 H72 2 1.110673 0.300024 0.807144 11.00000 -1.20000 AFIX 0 C73 1 1.167925 0.284174 0.916857 11.00000 0.08258 0.17902 = 0.11231 0.06013 0.01541 0.03023 AFIX 137 H73A 2 1.182053 0.253789 0.907799 11.00000 -1.50000 H73B 2 1.156018 0.285151 0.963668 11.00000 -1.50000 H73C 2 1.214701 0.303821 0.921657 11.00000 -1.50000 AFIX 0 C74 1 1.066386 0.346103 0.862310 11.00000 0.09457 0.09281 = 0.14707 -0.03032 0.01492 0.01248 AFIX 137 H74A 2 1.110820 0.366950 0.864952 11.00000 -1.50000 H74B 2 1.054788 0.347784 0.909228 11.00000 -1.50000 H74C 2 1.016191 0.353737 0.819216 11.00000 -1.50000 AFIX 0 C75 1 1.036519 0.306012 0.613937 11.00000 0.03908 0.02823 = 0.05874 0.00069 0.00717 0.00010 C76 1 1.034170 0.277261 0.668454 11.00000 0.04282 0.03201 = 0.07080 0.00571 0.01381 0.00195 C77 1 1.095016 0.242347 0.676536 11.00000 0.03802 0.02761 = 0.06851 -0.00273 0.00171 0.00209 C78 1 1.121611 0.204843 0.720221 11.00000 0.04959 0.03789 = 0.07747 0.00571 0.00717 0.00788 AFIX 43 H78 2 1.098529 0.196342 0.756751 11.00000 -1.20000 AFIX 0 C79 1 1.185444 0.179308 0.708138 11.00000 0.06360 0.03651 = 0.07185 0.00243 -0.00358 0.01425 AFIX 43 H79 2 1.203686 0.153100 0.737184 11.00000 -1.20000 AFIX 0 C80 1 1.221228 0.190197 0.658051 11.00000 0.05970 0.04956 = 0.06798 -0.01486 -0.00157 0.01183 AFIX 43 H80 2 1.264161 0.172238 0.653166 11.00000 -1.20000 AFIX 0 C81 1 1.194299 0.228886 0.612313 11.00000 0.05074 0.04839 = 0.04598 -0.01505 -0.00108 0.00221 C82 1 1.131830 0.252862 0.622902 11.00000 0.04224 0.03079 = 0.05059 -0.00936 -0.00023 0.00149 C83 1 1.224204 0.244910 0.557003 11.00000 0.06511 0.08101 = 0.05548 -0.01805 0.01114 0.02020 AFIX 43 H83 2 1.266942 0.229286 0.547132 11.00000 -1.20000 AFIX 0 C84 1 1.191647 0.283472 0.516653 11.00000 0.06692 0.07209 = 0.06378 -0.00393 0.02093 0.01309 AFIX 43 H84 2 1.212618 0.293622 0.479550 11.00000 -1.20000 AFIX 0 C85 1 1.128273 0.307779 0.529633 11.00000 0.05579 0.05080 = 0.04942 -0.01096 0.00771 0.00152 AFIX 43 H85 2 1.107413 0.334197 0.502061 11.00000 -1.20000 AFIX 0 C86 1 1.097146 0.292887 0.582401 11.00000 0.04110 0.03555 = 0.05135 -0.00614 0.00460 -0.00262 HKLF 4 REM 2_a.res in P2(1)/n REM R1 = 0.0731 for 8095 Fo > 4sig(Fo) and 0.1351 for all 15742 data REM 885 parameters refined using 0 restraints END WGHT 0.1074 0.4630 REM Highest difference peak 0.197, deepest hole -0.264, 1-sigma level 0.041 Q1 1 0.4835 0.5660 0.6271 11.00000 0.05 0.20 Q2 1 1.1469 0.4090 0.7214 11.00000 0.05 0.20 Q3 1 1.1346 0.2480 0.9073 11.00000 0.05 0.19 Q4 1 1.0668 0.3263 0.9247 11.00000 0.05 0.19 Q5 1 0.4199 0.4993 0.5190 11.00000 0.05 0.19 Q6 1 0.9398 0.2873 0.6465 11.00000 0.05 0.18 Q7 1 0.8448 0.2002 0.7427 11.00000 0.05 0.18 Q8 1 0.9016 0.3943 0.5530 11.00000 0.05 0.17 Q9 1 0.7128 0.3166 0.4409 11.00000 0.05 0.17 Q10 1 0.6010 0.3361 0.7082 11.00000 0.05 0.17 Q11 1 0.3718 0.4851 0.4487 11.00000 0.05 0.17 Q12 1 0.9299 0.2989 0.3625 11.00000 0.05 0.16 Q13 1 0.7511 0.3881 0.6137 11.00000 0.05 0.16 Q14 1 0.9990 0.4043 0.7032 11.00000 0.05 0.16 Q15 1 0.3593 0.2794 0.7418 11.00000 0.05 0.15 Q16 1 0.9252 0.1817 0.6010 11.00000 0.05 0.15 Q17 1 0.6237 0.4160 0.8648 11.00000 0.05 0.15 Q18 1 0.3900 0.6083 0.7833 11.00000 0.05 0.15 Q19 1 1.1304 0.3404 0.6351 11.00000 0.05 0.15 Q20 1 0.9736 0.2789 0.6123 11.00000 0.05 0.15 Q21 1 0.6976 0.3855 0.9069 11.00000 0.05 0.15 Q22 1 1.0775 0.2033 0.6611 11.00000 0.05 0.15 Q23 1 0.3290 0.5072 0.7838 11.00000 0.05 0.15 Q24 1 0.7903 0.1791 0.5729 11.00000 0.05 0.15 Q25 1 0.9232 0.3158 0.3692 11.00000 0.05 0.15 Q26 1 0.6161 0.3488 0.6864 11.00000 0.05 0.15 Q27 1 0.2394 0.3074 0.8324 11.00000 0.05 0.14 Q28 1 0.4185 0.3247 0.6940 11.00000 0.05 0.14 Q29 1 0.9634 0.2572 0.5691 11.00000 0.05 0.14 Q30 1 0.4836 0.5407 0.6511 11.00000 0.05 0.14 Q31 1 1.2901 0.2547 0.5633 11.00000 0.05 0.14 Q32 1 0.3197 0.2858 0.7483 11.00000 0.05 0.14 Q33 1 0.3648 0.4061 0.8904 11.00000 0.05 0.14 Q34 1 1.3007 0.2440 0.5373 11.00000 0.05 0.14 Q35 1 0.3266 0.4404 0.8346 11.00000 0.05 0.14 Q36 1 0.5033 0.5603 0.7108 11.00000 0.05 0.14 Q37 1 1.2992 0.2026 0.5789 11.00000 0.05 0.14 Q38 1 0.7227 0.4046 0.5513 11.00000 0.05 0.14 Q39 1 0.4001 0.5665 0.8842 11.00000 0.05 0.13 Q40 1 1.0681 0.2064 0.7663 11.00000 0.05 0.13 Q41 1 0.4677 0.4314 0.7436 11.00000 0.05 0.13 Q42 1 0.9087 0.4029 0.8185 11.00000 0.05 0.13 Q43 1 0.6040 0.4623 0.7570 11.00000 0.05 0.13 Q44 1 1.2628 0.1744 0.6029 11.00000 0.05 0.13 Q45 1 0.5171 0.3747 0.6233 11.00000 0.05 0.13 Q46 1 1.1286 0.5081 0.6384 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2.3704 -0.0043 0 1 19 -2.1329 -0.0010 0 1 20 -2.6026 0.0012 0 2 2 43.7386 0.0058 0 2 3 7.9126 0.0024 0 2 4 6.9229 0.0013 0 2 5 14.4724 0.0010 0 2 6 9.9158 0.0009 0 2 7 0.3317 0.0054 0 2 8 9.0495 0.0040 0 2 9 -3.0774 0.0003 0 2 10 -0.6431 0.0010 0 2 11 2.5698 0.0012 0 2 12 1.2327 -0.0013 0 2 13 -1.6136 -0.0003 0 2 14 2.1140 0.0014 0 2 15 4.3733 0.0005 0 2 16 -6.3492 0.0017 0 2 17 0.5950 -0.0005 0 2 18 -0.3413 -0.0018 0 2 19 0.0909 0.0006 0 2 20 -2.5857 0.0002 0 3 1 43.5806 -0.0016 0 3 2 21.0723 0.0109 0 3 3 -0.4253 0.0058 0 3 4 -21.1734 0.0020 0 3 5 -16.6692 0.0026 0 3 6 -10.2275 0.0004 0 3 7 -0.1941 -0.0029 0 3 8 -5.3532 0.0034 0 3 9 -3.0180 0.0049 0 3 10 3.0105 -0.0011 0 3 11 -3.4270 -0.0022 0 3 12 -1.2959 -0.0032 0 3 13 -0.0151 -0.0003 0 3 14 -2.5347 -0.0009 0 3 15 -5.4917 0.0010 0 3 16 -0.0879 0.0004 0 3 17 0.9833 0.0030 0 3 18 0.4219 0.0016 0 3 19 1.1797 -0.0009 0 3 20 -1.5119 -0.0023 0 4 0 -40.0360 -0.0114 0 4 1 72.9055 -0.0016 0 4 2 -19.3519 0.0017 0 4 3 32.7931 0.0097 0 4 4 8.5043 0.0004 0 4 5 -12.9519 -0.0041 0 4 6 13.6733 -0.0002 0 4 7 4.2818 0.0003 0 4 8 -6.9261 0.0028 0 4 9 8.1934 0.0007 0 4 10 -0.1893 -0.0019 0 4 11 1.5734 0.0030 0 4 12 2.5613 -0.0016 0 4 13 -3.8603 -0.0043 0 4 14 1.7345 0.0017 0 4 15 1.9514 0.0003 0 4 16 0.1409 -0.0009 0 4 17 -0.3696 0.0000 0 4 18 -0.2181 0.0010 0 4 19 1.7076 -0.0008 0 4 20 -2.4279 -0.0021 0 5 1 -75.2513 -0.0066 0 5 2 14.6394 0.0013 0 5 3 52.1404 0.0034 0 5 4 -33.2041 0.0018 0 5 5 -5.0002 -0.0016 0 5 6 -0.8007 -0.0015 0 5 7 -5.0587 0.0019 0 5 8 -3.8018 0.0007 0 5 9 -3.6856 0.0012 0 5 10 -2.9411 0.0024 0 5 11 1.9587 0.0013 0 5 12 -2.5228 0.0004 0 5 13 1.7902 -0.0005 0 5 14 1.2692 -0.0009 0 5 15 -4.3411 -0.0013 0 5 16 0.6618 0.0005 0 5 17 1.9563 0.0006 0 5 18 0.6112 -0.0013 0 5 19 2.8665 -0.0011 0 5 20 -3.1002 0.0023 0 6 1 -34.7740 0.0027 0 6 2 63.1100 0.0079 0 6 3 -4.3161 0.0021 0 6 4 16.9359 -0.0076 0 6 5 6.8192 -0.0021 0 6 6 -4.5988 -0.0010 0 6 7 13.2686 -0.0014 0 6 8 4.1301 0.0002 0 6 9 3.7487 0.0007 0 6 10 -1.3261 0.0034 0 6 11 2.0685 -0.0010 0 6 12 0.5080 -0.0016 0 6 13 0.3026 -0.0014 0 6 14 -1.0044 0.0024 0 6 15 0.5392 -0.0002 0 6 16 0.7137 -0.0014 0 6 17 -0.5408 0.0001 0 6 18 1.2603 -0.0006 0 6 19 2.3083 -0.0018 0 6 20 1.0553 -0.0004 0 7 1 16.2294 -0.0024 0 7 2 -26.0751 0.0039 0 7 3 -1.7083 -0.0000 0 7 4 22.6746 0.0001 0 7 5 -5.8540 -0.0030 0 7 6 -2.7849 -0.0009 0 7 7 1.5765 0.0006 0 7 8 -1.4398 -0.0012 0 7 9 -1.9674 0.0000 0 7 10 -1.9986 0.0014 0 7 11 3.9946 -0.0015 0 7 12 -1.5261 -0.0010 0 7 13 1.9183 0.0012 0 7 14 7.9023 0.0001 0 7 15 -1.1032 -0.0002 0 7 16 -0.9313 -0.0015 0 7 17 1.7128 -0.0007 0 7 18 0.0976 -0.0006 0 7 19 1.0423 -0.0010 0 7 20 -2.5147 0.0003 0 8 0 -0.1317 -0.0020 0 8 1 -41.1431 -0.0028 0 8 2 -13.1964 0.0011 0 8 3 -5.6763 0.0029 0 8 4 10.7246 -0.0017 0 8 5 0.1228 -0.0007 0 8 6 -7.7293 -0.0009 0 8 7 2.2988 0.0010 0 8 8 -2.2495 0.0017 0 8 9 -1.8409 0.0012 0 8 10 5.1518 0.0003 0 8 11 0.3834 0.0010 0 8 12 1.7641 -0.0009 0 8 13 2.6447 -0.0017 0 8 14 1.0171 0.0011 0 8 15 -0.6512 0.0004 0 8 16 -1.2969 -0.0001 0 8 17 -1.0595 -0.0013 0 8 18 -0.7833 -0.0011 0 8 19 1.9241 0.0023 0 8 20 -0.8675 -0.0015 0 9 1 3.6565 0.0031 0 9 2 -13.6847 -0.0022 0 9 3 22.6518 -0.0010 0 9 4 -4.1816 0.0002 0 9 5 -5.9021 -0.0008 0 9 6 5.1056 0.0002 0 9 7 1.8611 0.0009 0 9 8 0.8502 -0.0008 0 9 9 2.4007 0.0007 0 9 10 -7.3446 0.0020 0 9 11 -3.1479 -0.0011 0 9 12 0.3295 -0.0008 0 9 13 -4.7888 0.0003 0 9 14 -0.0538 -0.0012 0 9 15 4.5223 0.0004 0 9 16 0.1072 -0.0006 0 9 17 -0.1208 0.0006 0 9 18 2.1865 0.0017 0 9 19 -0.4172 -0.0005 0 9 20 2.6228 -0.0012 0 10 0 24.4405 -0.0007 0 10 1 -18.2396 -0.0021 0 10 2 -1.3877 0.0013 0 10 3 11.0394 0.0030 0 10 4 -16.4012 0.0011 0 10 5 16.4919 -0.0029 0 10 6 -6.0553 0.0000 0 10 7 -4.7199 0.0002 0 10 8 8.1724 -0.0008 0 10 9 0.1373 -0.0013 0 10 10 -2.4558 0.0002 0 10 11 1.8256 0.0012 0 10 12 0.8996 -0.0007 0 10 13 2.2581 -0.0009 0 10 14 1.2845 0.0001 0 10 15 5.2060 0.0004 0 10 16 -3.1140 -0.0005 0 10 17 -0.7612 -0.0002 0 10 18 -0.2988 0.0008 0 10 19 -5.0084 0.0002 0 11 1 1.5452 0.0008 0 11 2 -0.0707 -0.0006 0 11 3 -17.7822 -0.0000 0 11 4 14.9168 -0.0015 0 11 5 4.1458 -0.0020 0 11 6 -14.8841 -0.0009 0 11 7 2.6661 0.0004 0 11 8 -4.6147 0.0011 0 11 9 -0.3595 0.0018 0 11 10 -0.7152 0.0001 0 11 11 -2.7149 0.0005 0 11 12 -2.3452 0.0003 0 11 13 0.4969 -0.0003 0 11 14 -1.5935 0.0003 0 11 15 -0.8899 -0.0000 0 11 16 0.0039 -0.0001 0 11 17 1.3926 0.0006 0 11 18 3.0757 -0.0006 0 11 19 5.6097 -0.0014 0 12 0 10.4326 -0.0049 0 12 1 10.1860 -0.0028 0 12 2 -12.8256 0.0035 0 12 3 6.6366 -0.0005 0 12 4 8.5833 -0.0024 0 12 5 -2.0241 -0.0014 0 12 6 8.2424 -0.0001 0 12 7 -1.5075 -0.0002 0 12 8 -4.8470 -0.0007 0 12 9 5.3787 0.0008 0 12 10 -2.5243 0.0013 0 12 11 -0.0668 0.0012 0 12 12 -3.4973 0.0001 0 12 13 -2.3897 -0.0017 0 12 14 2.6061 -0.0003 0 12 15 3.1982 -0.0005 0 12 16 2.7120 -0.0006 0 12 17 0.3608 -0.0004 0 12 18 -0.7175 0.0005 0 12 19 -1.8720 -0.0007 0 13 1 -4.5941 -0.0006 0 13 2 -4.0830 -0.0007 0 13 3 -0.8864 0.0001 0 13 4 -0.5652 -0.0026 0 13 5 -1.5018 -0.0010 0 13 6 4.7273 0.0005 0 13 7 -2.3002 0.0016 0 13 8 1.6967 0.0004 0 13 9 3.7730 -0.0019 0 13 10 0.5933 0.0013 0 13 11 -1.6296 0.0002 0 13 12 -0.7486 -0.0011 0 13 13 -2.4432 -0.0005 0 13 14 -1.0901 -0.0003 0 13 15 -0.5102 -0.0000 0 13 16 3.9371 0.0002 0 13 17 1.3099 -0.0004 0 13 18 -1.9655 -0.0007 0 13 19 0.1349 0.0007 0 14 0 -0.0217 -0.0018 0 14 1 3.1370 -0.0008 0 14 2 -5.0133 -0.0005 0 14 3 -2.1787 0.0002 0 14 4 -5.0517 0.0002 0 14 5 -2.9050 -0.0016 0 14 6 5.6547 0.0002 0 14 7 -3.9820 0.0011 0 14 8 -0.6357 0.0005 0 14 9 2.7085 0.0001 0 14 10 -1.8166 -0.0001 0 14 11 0.0904 0.0010 0 14 12 0.7776 -0.0008 0 14 13 -1.6957 -0.0004 0 14 14 0.8565 0.0007 0 14 15 0.2009 0.0005 0 14 16 1.9700 0.0003 0 14 17 -1.3704 0.0003 0 14 18 -1.2288 0.0006 0 14 19 5.9629 -0.0013 0 15 1 -3.2938 -0.0006 0 15 2 -0.1688 -0.0005 0 15 3 -3.9167 -0.0005 0 15 4 -3.1475 0.0000 0 15 5 12.7811 0.0005 0 15 6 -1.3488 0.0001 0 15 7 -0.5589 -0.0002 0 15 8 1.6561 -0.0002 0 15 9 -3.1858 0.0008 0 15 10 3.1032 -0.0003 0 15 11 0.2957 -0.0009 0 15 12 -2.2982 -0.0002 0 15 13 0.4772 0.0007 0 15 14 0.5352 0.0008 0 15 15 -2.3199 -0.0001 0 15 16 -4.7261 0.0004 0 15 17 2.5089 0.0008 0 15 18 -2.7691 0.0017 0 16 0 0.0827 0.0004 0 16 1 2.6645 -0.0023 0 16 2 5.9176 -0.0006 0 16 3 -5.0556 0.0015 0 16 4 3.6689 -0.0002 0 16 5 -1.6497 -0.0020 0 16 6 -3.0462 0.0002 0 16 7 9.8872 0.0013 0 16 8 -2.7915 0.0005 0 16 9 -2.0601 0.0003 0 16 10 4.8298 -0.0001 0 16 11 -3.0604 0.0006 0 16 12 0.4034 0.0002 0 16 13 -0.5073 -0.0014 0 16 14 -2.5284 0.0003 0 16 15 4.2384 0.0006 0 16 16 0.3888 -0.0005 0 16 17 5.4095 -0.0002 0 16 18 -3.4102 -0.0001 0 17 1 1.7902 -0.0004 0 17 2 -0.0709 -0.0011 0 17 3 -3.1022 -0.0003 0 17 4 -3.2526 -0.0009 0 17 5 -6.6261 -0.0005 0 17 6 1.6841 0.0002 0 17 7 2.7640 0.0018 0 17 8 -4.1521 0.0004 0 17 9 0.8380 -0.0008 0 17 10 -2.0146 0.0004 0 17 11 0.2159 0.0008 0 17 12 -0.0339 0.0010 0 17 13 0.5809 0.0008 0 17 14 -0.9814 -0.0005 0 17 15 2.5279 0.0003 0 17 16 -3.1166 0.0004 0 17 17 -0.8143 0.0006 0 17 18 2.2439 0.0011 0 18 0 4.0736 -0.0023 0 18 1 -1.4978 -0.0006 0 18 2 1.6825 0.0004 0 18 3 3.5708 0.0009 0 18 4 1.6276 -0.0010 0 18 5 -0.7238 -0.0005 0 18 6 -2.3381 0.0010 0 18 7 -1.6090 0.0006 0 18 8 1.3953 0.0002 0 18 9 -0.9511 -0.0009 0 18 10 -0.6824 -0.0000 0 18 11 1.4977 0.0009 0 18 12 -1.3658 0.0006 0 18 13 1.1574 -0.0002 0 18 14 -0.0673 0.0013 0 18 15 -1.3006 0.0010 0 18 16 -2.7201 -0.0019 0 18 17 0.4052 0.0022 0 19 1 -1.3198 -0.0005 0 19 2 2.4614 0.0008 0 19 3 1.0910 -0.0002 0 19 4 -2.8180 -0.0002 0 19 5 0.8271 -0.0001 0 19 6 -0.2717 0.0002 0 19 7 0.1507 0.0014 0 19 8 1.6187 -0.0003 0 19 9 -2.6741 0.0001 0 19 10 -0.4534 0.0004 0 19 11 1.6980 0.0002 0 19 12 0.8839 -0.0014 0 19 13 -1.4040 0.0000 0 19 14 0.2050 -0.0005 0 19 15 -0.2862 0.0002 0 19 16 -1.1721 0.0012 0 19 17 0.7842 -0.0014 0 20 0 -6.7559 0.0002 0 20 1 1.1140 -0.0004 0 20 2 0.3626 -0.0005 0 20 3 -2.1429 0.0007 0 20 4 -1.5156 0.0001 0 20 5 2.8601 -0.0002 0 20 6 -2.3174 0.0004 0 20 7 -2.7527 -0.0001 0 20 8 1.0886 0.0004 0 20 9 -4.0564 -0.0004 0 20 10 0.2708 -0.0001 0 20 11 1.4582 0.0009 0 20 12 -1.8070 0.0008 0 20 13 0.7181 -0.0005 0 20 14 -1.1503 0.0007 0 20 15 3.0723 0.0003 0 20 16 0.1637 0.0004 0 20 17 0.1586 -0.0015 0 21 1 0.4458 -0.0000 0 21 2 -0.1476 0.0002 0 21 3 3.4058 -0.0002 0 21 4 2.2661 0.0004 0 21 5 -1.4087 -0.0006 0 21 6 -3.7402 -0.0003 0 21 7 1.2206 0.0008 0 21 8 1.2515 0.0001 0 21 9 1.3896 0.0001 0 21 10 -0.1718 -0.0003 0 21 11 -0.2436 -0.0001 0 21 12 0.7060 0.0000 0 21 13 3.1412 0.0004 0 21 14 -1.9441 -0.0008 0 21 15 -0.6364 0.0001 0 21 16 -3.4766 -0.0011 0 22 0 -0.4055 0.0015 0 22 1 -2.4720 -0.0006 0 22 2 -3.7205 -0.0007 0 22 3 1.7812 0.0015 0 22 4 1.4245 0.0003 0 22 5 -0.7491 -0.0004 0 22 6 4.2577 -0.0000 0 22 7 2.0836 0.0004 0 22 8 -1.7172 0.0007 0 22 9 3.9442 -0.0011 0 22 10 -4.2180 -0.0009 0 22 11 3.2765 0.0004 0 22 12 1.1812 0.0007 0 22 13 -0.4998 -0.0015 0 22 14 -0.4663 0.0006 0 22 15 2.2770 -0.0001 0 22 16 1.2501 -0.0011 0 23 1 1.1536 0.0004 0 23 2 0.0129 0.0004 0 23 3 -0.7854 -0.0005 0 23 4 -3.2457 0.0008 0 23 5 1.7346 -0.0005 0 23 6 1.0346 0.0001 0 23 7 0.9395 0.0004 0 23 8 -1.0937 -0.0001 0 23 9 3.4151 0.0002 0 23 10 0.5051 -0.0006 0 23 11 -1.1571 0.0005 0 23 12 1.6913 -0.0001 0 23 13 -3.1067 -0.0001 0 23 14 3.7859 -0.0004 0 23 15 2.4611 -0.0018 0 24 0 3.9577 0.0010 0 24 1 2.0111 -0.0008 0 24 2 5.2206 0.0004 0 24 3 -0.2344 0.0004 0 24 4 -2.2145 -0.0011 0 24 5 1.7806 -0.0003 0 24 6 -0.2270 0.0002 0 24 7 4.1164 0.0006 0 24 8 3.1911 -0.0001 0 24 9 0.8867 -0.0007 0 24 10 -1.7404 0.0006 0 24 11 -0.5873 0.0000 0 24 12 3.3749 -0.0003 0 24 13 1.0061 -0.0001 0 24 14 -0.9530 -0.0005 0 24 15 -0.8314 -0.0002 0 25 1 -0.8830 0.0006 0 25 2 -1.7775 0.0004 0 25 3 1.5218 0.0002 0 25 4 0.2605 -0.0001 0 25 5 -1.7987 -0.0013 0 25 6 -3.2219 0.0004 0 25 7 1.2795 0.0003 0 25 8 1.0595 -0.0005 0 25 9 -5.0375 -0.0002 0 25 10 -1.2130 -0.0000 0 25 11 -3.2084 0.0001 0 25 12 0.7514 -0.0005 0 25 13 -0.6428 0.0005 0 25 14 -2.1240 -0.0020 0 26 0 2.1184 0.0001 0 26 1 -1.3947 0.0003 0 26 2 -1.0370 -0.0001 0 26 3 2.0759 -0.0001 0 26 4 -1.6148 -0.0003 0 26 5 -3.2700 0.0005 0 26 6 -1.4963 -0.0010 0 26 7 0.2130 -0.0001 0 26 8 0.5351 0.0003 0 26 9 1.5328 -0.0001 0 26 10 2.4277 -0.0010 0 26 11 -4.7779 -0.0001 0 26 12 -0.3398 0.0005 0 26 13 2.7761 -0.0007 0 26 14 0.3980 0.0006 0 27 1 0.3723 -0.0000 0 27 2 -0.8489 -0.0003 0 27 3 0.7258 -0.0000 0 27 4 -0.9177 0.0003 0 27 5 0.3139 -0.0007 0 27 6 1.4023 -0.0003 0 27 7 -0.1169 0.0002 0 27 8 -0.7061 0.0005 0 27 9 0.4588 0.0002 0 27 10 1.3497 0.0004 0 27 11 -3.7367 -0.0009 0 27 12 -1.5439 -0.0008 0 27 13 1.6005 -0.0004 0 28 0 -5.2453 0.0024 0 28 1 3.3890 -0.0006 0 28 2 -1.4953 -0.0008 0 28 3 5.4723 0.0005 0 28 4 0.1420 -0.0003 0 28 5 0.2508 -0.0007 0 28 6 -2.8121 -0.0011 0 28 7 -1.2055 0.0013 0 28 8 1.7731 0.0000 0 28 9 -1.5986 -0.0004 0 28 10 -0.0458 -0.0005 0 28 11 0.7589 0.0008 0 28 12 -0.0059 0.0001 0 29 1 -1.5880 0.0000 0 29 2 -0.1798 0.0002 0 29 3 -1.7838 -0.0003 0 29 4 2.4157 0.0002 0 29 5 1.3300 -0.0012 0 29 6 -4.4520 0.0003 0 29 7 1.9023 0.0001 0 29 8 1.8447 0.0014 0 29 9 -4.4150 -0.0011 0 29 10 -3.4378 -0.0003 0 29 11 -0.5657 0.0006 0 29 12 -1.6691 -0.0001 0 30 0 1.3902 -0.0001 0 30 1 -1.3005 -0.0003 0 30 2 -0.2183 -0.0006 0 30 3 0.8709 -0.0007 0 30 4 1.8279 -0.0011 0 30 5 -0.5440 0.0004 0 30 6 -0.3134 0.0001 0 30 7 -1.8460 0.0001 0 30 8 -0.6697 0.0004 0 30 9 1.5149 0.0004 0 30 10 0.7924 -0.0003 0 30 11 0.8084 -0.0034 0 31 1 -3.1448 0.0002 0 31 2 2.0464 -0.0003 0 31 3 1.0096 -0.0010 0 31 4 -0.1661 -0.0015 0 31 5 1.0147 -0.0008 0 31 6 -0.0260 -0.0000 0 31 7 -1.9590 -0.0010 0 31 8 0.9977 0.0010 0 31 9 1.2595 0.0009 0 31 10 0.8762 0.0016 0 32 0 4.1642 0.0010 0 32 1 -0.2558 0.0005 0 32 2 0.8094 -0.0006 0 32 3 2.6356 -0.0005 0 32 4 1.2654 -0.0002 0 32 5 2.2062 0.0004 0 32 6 -2.2652 -0.0009 0 32 7 1.2162 -0.0013 0 32 8 3.2346 0.0011 0 32 9 1.4971 0.0018 0 33 1 1.4593 -0.0010 0 33 2 -2.9387 -0.0004 0 33 3 -3.0744 0.0012 0 33 4 -1.2579 0.0018 0 33 5 0.3156 -0.0023 0 33 6 -1.6747 -0.0024 0 33 7 -1.3129 0.0026 0 34 0 -1.0161 0.0010 0 34 1 1.4392 0.0006 0 34 2 -1.7987 0.0009 0 34 3 -2.4955 -0.0010 0 34 4 1.0360 -0.0017 0 34 5 0.7015 0.0014 0 34 6 2.6958 0.0024 0 35 1 -0.8605 0.0014 0 35 2 3.3694 0.0000 0 35 3 1.3445 0.0002 1 0 3 66.9449 -0.0017 1 0 5 3.3281 0.0037 1 0 7 11.9018 0.0022 1 0 9 -3.2605 -0.0046 1 0 11 1.8006 -0.0050 1 0 13 3.5425 0.0011 1 0 15 -4.4101 0.0040 1 0 17 -1.4379 0.0028 1 0 19 1.6814 -0.0020 1 1 3 -29.5466 -0.0086 1 1 4 -10.2774 -0.0117 1 1 5 -6.7661 0.0034 1 1 6 -6.3077 0.0013 1 1 7 -6.7505 -0.0013 1 1 8 1.2051 0.0031 1 1 9 4.6040 -0.0007 1 1 10 -4.5579 -0.0008 1 1 11 -3.2526 -0.0082 1 1 12 0.3330 -0.0048 1 1 13 2.5975 0.0044 1 1 14 0.6193 0.0009 1 1 15 4.2036 -0.0023 1 1 16 1.6739 0.0025 1 1 17 -1.6567 0.0010 1 1 18 0.4610 0.0023 1 1 19 1.0980 -0.0012 1 1 20 -0.3835 0.0018 1 2 1 15.2637 -0.0011 1 2 2 -18.0182 0.0081 1 2 3 -1.0889 -0.0125 1 2 4 20.5899 -0.0051 1 2 5 18.2128 0.0011 1 2 6 -7.1431 0.0092 1 2 7 5.4940 -0.0022 1 2 8 7.0516 -0.0037 1 2 9 -1.6207 0.0059 1 2 10 0.4494 -0.0001 1 2 11 2.8393 -0.0029 1 2 12 0.9594 0.0010 1 2 13 1.9724 0.0008 1 2 14 2.3435 -0.0004 1 2 15 0.0964 -0.0006 1 2 16 -1.9164 -0.0042 1 2 17 -2.6176 0.0006 1 2 18 -2.1385 0.0032 1 2 19 -2.0777 0.0019 1 2 20 -0.9718 -0.0009 1 3 2 -13.3590 -0.0098 1 3 3 -33.2820 0.0024 1 3 4 3.6813 -0.0002 1 3 5 -5.6861 0.0044 1 3 6 -7.0601 -0.0035 1 3 7 4.1958 0.0050 1 3 8 -7.1091 0.0063 1 3 9 1.0085 0.0039 1 3 10 -2.1031 -0.0036 1 3 11 -2.7766 -0.0017 1 3 12 -1.9353 0.0000 1 3 13 -1.0646 -0.0022 1 3 14 -4.9423 0.0014 1 3 15 1.7101 0.0026 1 3 16 3.1704 0.0025 1 3 17 0.3715 -0.0001 1 3 18 -2.5136 -0.0007 1 3 19 -1.3197 0.0013 1 3 20 1.5190 0.0019 1 4 2 -14.5707 -0.0003 1 4 3 15.2578 0.0008 1 4 4 -6.0738 -0.0006 1 4 5 7.0421 0.0019 1 4 6 9.2848 -0.0009 1 4 7 -10.0277 -0.0005 1 4 8 7.1435 0.0057 1 4 9 2.9621 0.0003 1 4 10 -1.1088 0.0003 1 4 11 0.7921 -0.0034 1 4 12 -0.4373 0.0001 1 4 13 2.8379 0.0018 1 4 14 0.1967 0.0012 1 4 15 3.9656 0.0013 1 4 16 -0.8337 0.0036 1 4 17 0.7408 0.0020 1 4 18 -1.5719 -0.0001 1 4 19 -4.1311 -0.0011 1 4 20 1.9650 0.0003 1 5 1 -37.6946 -0.0040 1 5 2 43.7990 0.0028 1 5 3 -30.9135 0.0010 1 5 4 -21.2367 0.0024 1 5 5 2.9370 0.0041 1 5 6 -8.3811 0.0021 1 5 7 -7.1519 0.0006 1 5 8 -1.4302 0.0016 1 5 9 -0.8370 -0.0001 1 5 10 3.6429 0.0004 1 5 11 -2.4467 0.0002 1 5 12 -1.5652 -0.0010 1 5 13 2.2529 0.0017 1 5 14 -4.0753 0.0004 1 5 15 -2.0310 0.0003 1 5 16 2.8666 0.0010 1 5 17 -1.0847 0.0029 1 5 18 1.4451 0.0001 1 5 19 -5.3251 -0.0006 1 5 20 -1.3457 0.0020 1 6 2 21.3704 0.0004 1 6 3 -7.1519 -0.0023 1 6 4 8.3512 0.0009 1 6 5 -1.7838 -0.0005 1 6 6 14.5537 0.0013 1 6 7 0.1133 0.0017 1 6 8 0.9016 0.0022 1 6 9 1.3694 0.0028 1 6 10 0.8887 0.0007 1 6 11 -1.5351 -0.0019 1 6 12 0.8739 -0.0013 1 6 13 -3.7293 0.0005 1 6 14 0.5683 0.0005 1 6 15 0.2118 0.0011 1 6 16 0.3762 0.0019 1 6 17 1.1740 -0.0001 1 6 18 2.5374 -0.0001 1 6 19 -0.0493 0.0006 1 6 20 3.6689 -0.0014 1 7 1 14.8957 0.0014 1 7 2 4.7879 0.0015 1 7 3 13.6086 -0.0044 1 7 4 -8.6144 0.0016 1 7 5 -0.2601 0.0021 1 7 6 0.0955 0.0019 1 7 7 1.3813 -0.0000 1 7 8 -0.0706 -0.0012 1 7 9 -6.7103 0.0018 1 7 10 5.2238 0.0008 1 7 11 -0.6029 -0.0011 1 7 12 0.2791 -0.0004 1 7 13 3.6058 0.0001 1 7 14 -0.7897 -0.0007 1 7 15 -2.4503 0.0003 1 7 16 3.5196 0.0005 1 7 17 0.7622 -0.0006 1 7 18 0.2524 -0.0011 1 7 19 -3.1403 0.0012 1 8 1 -10.6243 0.0032 1 8 2 -8.6046 -0.0009 1 8 3 10.3600 -0.0002 1 8 4 5.4264 -0.0017 1 8 5 -13.1848 0.0011 1 8 6 0.5823 0.0035 1 8 7 1.7092 -0.0001 1 8 8 -5.4640 -0.0002 1 8 9 5.6910 0.0013 1 8 10 4.1752 -0.0003 1 8 11 -0.1837 -0.0015 1 8 12 3.9611 -0.0025 1 8 13 2.3881 0.0003 1 8 14 -2.4858 0.0005 1 8 15 -0.4467 -0.0001 1 8 16 -1.1373 -0.0011 1 8 17 -0.8650 -0.0006 1 8 18 3.6496 0.0005 1 8 19 -3.1743 -0.0010 1 9 1 -14.1155 -0.0020 1 9 2 3.2669 0.0007 1 9 3 16.0114 -0.0034 1 9 4 -8.4965 0.0023 1 9 5 4.1643 0.0014 1 9 6 4.9874 -0.0011 1 9 7 -3.0496 0.0008 1 9 8 1.4645 0.0024 1 9 9 -2.7911 0.0012 1 9 10 -3.5619 -0.0012 1 9 11 2.8732 -0.0010 1 9 12 -2.4500 -0.0013 1 9 13 1.4695 0.0007 1 9 14 2.3756 0.0003 1 9 15 -2.0708 -0.0007 1 9 16 -2.5471 0.0006 1 9 17 1.3441 0.0006 1 9 18 2.0121 -0.0006 1 9 19 2.0696 -0.0025 1 10 1 -13.0843 0.0010 1 10 2 27.9844 -0.0008 1 10 3 -22.3231 0.0018 1 10 4 6.8259 -0.0016 1 10 5 4.4195 0.0037 1 10 6 -5.2009 0.0008 1 10 7 8.6205 -0.0025 1 10 8 2.0934 -0.0004 1 10 9 -5.3323 0.0005 1 10 10 3.9900 -0.0010 1 10 11 2.9074 -0.0001 1 10 12 -0.9924 0.0000 1 10 13 1.9396 -0.0004 1 10 14 3.3514 0.0004 1 10 15 -0.3142 -0.0008 1 10 16 -0.0184 -0.0004 1 10 17 -2.9963 0.0008 1 10 18 -4.4698 0.0003 1 10 19 1.4060 -0.0001 1 11 1 10.4720 -0.0004 1 11 2 -12.2433 0.0001 1 11 3 -4.5211 -0.0007 1 11 4 4.9327 -0.0008 1 11 5 -13.2717 0.0005 1 11 6 2.5749 0.0008 1 11 7 -0.2798 -0.0004 1 11 8 -0.9451 0.0001 1 11 9 -1.7614 -0.0008 1 11 10 -2.7892 0.0012 1 11 11 1.1374 0.0003 1 11 12 3.5756 -0.0003 1 11 13 -1.9501 -0.0003 1 11 14 0.5765 -0.0003 1 11 15 -0.3854 0.0003 1 11 16 -1.3912 0.0008 1 11 17 0.9399 -0.0003 1 11 18 4.2717 -0.0005 1 11 19 4.6063 -0.0011 1 12 1 -5.6777 0.0005 1 12 2 0.9470 -0.0000 1 12 3 9.4968 -0.0008 1 12 4 1.3619 -0.0009 1 12 5 0.5751 0.0002 1 12 6 -1.7675 0.0004 1 12 7 -5.2132 -0.0005 1 12 8 4.0010 0.0009 1 12 9 -4.3458 0.0004 1 12 10 -0.4503 -0.0001 1 12 11 -1.9074 0.0015 1 12 12 0.8846 -0.0012 1 12 13 2.4363 -0.0000 1 12 14 -0.3886 -0.0005 1 12 15 -0.9241 -0.0017 1 12 16 1.5230 0.0008 1 12 17 0.0015 0.0002 1 12 18 2.6977 -0.0010 1 12 19 -1.9234 0.0028 1 13 1 -1.6832 0.0022 1 13 2 4.4100 -0.0001 1 13 3 5.9278 -0.0037 1 13 4 -3.8145 0.0006 1 13 5 -2.7373 0.0021 1 13 6 2.6006 0.0006 1 13 7 -1.0957 -0.0004 1 13 8 3.8194 -0.0020 1 13 9 2.4173 0.0014 1 13 10 -0.7391 0.0004 1 13 11 -2.9384 -0.0013 1 13 12 -0.0637 -0.0004 1 13 13 1.0744 -0.0007 1 13 14 -1.0856 0.0002 1 13 15 1.6656 -0.0000 1 13 16 2.9745 0.0000 1 13 17 -0.3717 0.0002 1 13 18 -3.3701 0.0021 1 14 1 -1.9312 -0.0011 1 14 2 2.9536 0.0013 1 14 3 1.0737 -0.0006 1 14 4 -11.6058 -0.0020 1 14 5 6.0942 0.0014 1 14 6 -2.7584 0.0009 1 14 7 -4.3156 -0.0012 1 14 8 4.5333 -0.0013 1 14 9 -1.0611 0.0003 1 14 10 -1.3676 0.0019 1 14 11 2.0532 -0.0009 1 14 12 -2.9936 -0.0017 1 14 13 0.7420 -0.0002 1 14 14 3.0946 0.0001 1 14 15 2.7645 0.0003 1 14 16 -0.4571 -0.0006 1 14 17 -0.4338 -0.0000 1 14 18 2.7740 0.0012 1 15 1 -4.4318 0.0000 1 15 2 -0.0557 -0.0030 1 15 3 -4.3489 -0.0013 1 15 4 10.9825 0.0002 1 15 5 -0.6689 0.0003 1 15 6 -7.4727 0.0005 1 15 7 3.2400 -0.0002 1 15 8 -2.7282 -0.0000 1 15 9 -1.0774 -0.0002 1 15 10 2.9140 0.0002 1 15 11 -1.5668 0.0002 1 15 12 0.0924 0.0007 1 15 13 0.7565 0.0001 1 15 14 -3.5803 -0.0011 1 15 15 -2.5059 0.0002 1 15 16 -3.1018 0.0001 1 15 17 -2.3397 0.0006 1 15 18 3.0857 -0.0025 1 16 1 3.3921 -0.0010 1 16 2 -3.2675 0.0008 1 16 3 4.9652 -0.0009 1 16 4 6.3927 -0.0009 1 16 5 -5.0902 0.0004 1 16 6 5.6773 -0.0004 1 16 7 -0.4567 -0.0007 1 16 8 -3.6893 0.0006 1 16 9 6.4714 0.0003 1 16 10 -2.5408 -0.0002 1 16 11 -0.1114 -0.0001 1 16 12 -0.7113 -0.0009 1 16 13 -2.7830 0.0004 1 16 14 -0.0145 0.0003 1 16 15 0.1348 -0.0006 1 16 16 3.7277 0.0008 1 16 17 -1.7084 0.0013 1 16 18 -1.7890 -0.0016 1 17 1 0.5686 -0.0006 1 17 2 -5.1976 -0.0011 1 17 3 -1.1708 -0.0006 1 17 4 -1.5886 -0.0009 1 17 5 0.6150 0.0006 1 17 6 3.1981 0.0017 1 17 7 -4.2732 0.0006 1 17 8 0.0690 0.0000 1 17 9 0.8421 -0.0003 1 17 10 -0.2350 0.0001 1 17 11 0.2889 -0.0004 1 17 12 1.1953 0.0000 1 17 13 -0.3365 -0.0011 1 17 14 2.8216 0.0004 1 17 15 -0.4458 0.0006 1 17 16 1.3531 0.0001 1 17 17 1.2082 0.0020 1 18 1 -1.4957 -0.0011 1 18 2 -0.1499 0.0010 1 18 3 2.3658 -0.0008 1 18 4 -1.9206 -0.0004 1 18 5 -1.2843 0.0004 1 18 6 1.4195 0.0012 1 18 7 -2.1139 0.0004 1 18 8 0.1680 -0.0008 1 18 9 -1.3639 -0.0003 1 18 10 2.4332 0.0007 1 18 11 -0.6833 0.0010 1 18 12 0.7448 -0.0005 1 18 13 -0.2210 0.0002 1 18 14 -0.6043 -0.0002 1 18 15 -2.3845 0.0001 1 18 16 -1.5433 0.0013 1 18 17 0.0100 -0.0021 1 19 1 0.3390 0.0010 1 19 2 3.0509 -0.0002 1 19 3 -0.7873 -0.0012 1 19 4 0.2874 -0.0014 1 19 5 4.9963 0.0012 1 19 6 2.2964 0.0013 1 19 7 1.3462 -0.0011 1 19 8 -0.5826 -0.0005 1 19 9 -2.3254 0.0009 1 19 10 -0.0424 0.0002 1 19 11 1.0106 -0.0003 1 19 12 -0.5484 0.0003 1 19 13 0.9412 -0.0003 1 19 14 -2.6778 -0.0001 1 19 15 -1.1610 0.0003 1 19 16 -0.0019 0.0005 1 19 17 -3.8483 0.0022 1 20 1 0.3153 -0.0004 1 20 2 -3.3510 0.0005 1 20 3 -2.6903 -0.0007 1 20 4 3.2471 0.0001 1 20 5 -0.1679 0.0002 1 20 6 -1.8925 0.0008 1 20 7 0.2017 0.0001 1 20 8 -3.9693 -0.0003 1 20 9 -2.4320 0.0003 1 20 10 0.9552 0.0006 1 20 11 0.9210 -0.0001 1 20 12 -1.1028 -0.0013 1 20 13 -0.1704 0.0006 1 20 14 1.6021 0.0001 1 20 15 -0.7949 -0.0005 1 20 16 1.4488 -0.0011 1 21 1 1.0804 -0.0015 1 21 2 1.1092 -0.0009 1 21 3 -0.9450 0.0000 1 21 4 -0.5828 -0.0001 1 21 5 -3.8683 0.0002 1 21 6 0.6019 -0.0002 1 21 7 0.7483 0.0005 1 21 8 -1.4647 0.0004 1 21 9 0.8989 0.0001 1 21 10 -0.1671 -0.0001 1 21 11 -0.1426 -0.0000 1 21 12 1.2666 -0.0001 1 21 13 0.0232 -0.0001 1 21 14 -0.6066 -0.0001 1 21 15 -5.0010 -0.0001 1 21 16 0.0448 -0.0012 1 22 1 -1.7062 -0.0003 1 22 2 -0.1408 0.0001 1 22 3 1.3916 -0.0004 1 22 4 0.0392 -0.0004 1 22 5 -0.1515 0.0002 1 22 6 0.7117 0.0009 1 22 7 -2.4277 0.0001 1 22 8 2.1037 -0.0004 1 22 9 -2.9390 0.0001 1 22 10 2.6567 0.0002 1 22 11 0.9078 0.0003 1 22 12 0.7037 -0.0004 1 22 13 -2.0764 -0.0002 1 22 14 0.3019 0.0008 1 22 15 0.1664 -0.0015 1 23 1 -4.8716 -0.0004 1 23 2 0.7218 0.0002 1 23 3 -0.9032 0.0006 1 23 4 -2.0654 -0.0008 1 23 5 -0.0558 0.0008 1 23 6 0.8768 0.0012 1 23 7 -2.2821 0.0004 1 23 8 2.9733 -0.0009 1 23 9 0.0619 -0.0004 1 23 10 0.8426 0.0004 1 23 11 1.7805 0.0001 1 23 12 -1.1232 -0.0001 1 23 13 1.3416 0.0004 1 23 14 2.9646 -0.0011 1 23 15 -1.9298 -0.0001 1 24 1 3.3804 0.0002 1 24 2 0.4462 0.0004 1 24 3 -4.1358 -0.0002 1 24 4 1.3085 -0.0000 1 24 5 2.7051 0.0003 1 24 6 2.6579 0.0011 1 24 7 -0.6843 0.0003 1 24 8 1.7263 0.0001 1 24 9 -0.9338 -0.0002 1 24 10 0.4154 0.0006 1 24 11 4.4546 0.0005 1 24 12 1.3259 0.0000 1 24 13 0.0088 0.0002 1 24 14 -0.2157 -0.0005 1 25 1 3.9281 0.0001 1 25 2 0.2636 0.0003 1 25 3 0.0874 -0.0010 1 25 4 1.0072 -0.0008 1 25 5 -2.7252 0.0013 1 25 6 1.3184 0.0004 1 25 7 1.0313 0.0002 1 25 8 -3.2054 -0.0005 1 25 9 -1.9214 0.0003 1 25 10 0.9087 -0.0003 1 25 11 0.8315 -0.0008 1 25 12 -0.4520 0.0002 1 25 13 -3.7940 -0.0008 1 25 14 0.5201 0.0000 1 26 1 -2.2372 -0.0000 1 26 2 2.8712 -0.0002 1 26 3 -0.2200 0.0004 1 26 4 -3.5002 -0.0007 1 26 5 -2.7018 -0.0003 1 26 6 1.0002 0.0007 1 26 7 1.1768 -0.0005 1 26 8 -0.9469 -0.0002 1 26 9 -0.8783 -0.0005 1 26 10 -2.3029 0.0007 1 26 11 1.7524 0.0011 1 26 12 2.0012 -0.0002 1 26 13 -0.4200 -0.0014 1 27 1 0.0857 -0.0006 1 27 2 -0.3356 0.0001 1 27 3 -2.7037 0.0003 1 27 4 0.7937 -0.0001 1 27 5 -1.3180 -0.0006 1 27 6 1.0450 0.0001 1 27 7 3.2252 0.0012 1 27 8 0.1854 -0.0004 1 27 9 3.7707 0.0000 1 27 10 -4.1163 -0.0009 1 27 11 -1.4208 -0.0000 1 27 12 3.4664 -0.0002 1 27 13 -0.2196 0.0004 1 28 1 -1.0092 -0.0008 1 28 2 3.4910 0.0004 1 28 3 0.7471 0.0000 1 28 4 -0.1788 -0.0002 1 28 5 -0.7308 -0.0002 1 28 6 0.1728 0.0005 1 28 7 -1.6180 0.0001 1 28 8 1.8133 0.0006 1 28 9 3.6351 -0.0006 1 28 10 -1.7887 -0.0012 1 28 11 0.2930 0.0003 1 28 12 2.7052 0.0005 1 29 1 -1.2385 -0.0006 1 29 2 1.4097 -0.0001 1 29 3 -1.8287 -0.0002 1 29 4 1.7366 -0.0004 1 29 5 -1.7379 -0.0005 1 29 6 -0.8301 0.0011 1 29 7 2.4777 0.0007 1 29 8 -4.7221 -0.0003 1 29 9 -3.4397 0.0010 1 29 10 0.8720 0.0011 1 29 11 -1.5337 -0.0011 1 30 1 -0.1136 -0.0003 1 30 2 -3.2515 0.0002 1 30 3 3.0149 -0.0004 1 30 4 1.3877 -0.0012 1 30 5 -1.9467 0.0011 1 30 6 2.0915 0.0002 1 30 7 0.2648 0.0004 1 30 8 -2.0224 0.0003 1 30 9 -1.4169 0.0004 1 30 10 0.2992 -0.0015 1 31 1 -0.2960 0.0004 1 31 2 2.6611 -0.0004 1 31 3 0.6291 -0.0010 1 31 4 0.0204 -0.0002 1 31 5 0.7553 -0.0005 1 31 6 -3.3929 0.0003 1 31 7 -0.9338 0.0007 1 31 8 0.0975 0.0002 1 31 9 -2.2588 -0.0004 1 32 1 4.8671 -0.0013 1 32 2 1.9495 -0.0009 1 32 3 -0.6876 -0.0002 1 32 4 0.7836 -0.0004 1 32 5 0.3989 0.0009 1 32 6 -0.1176 -0.0009 1 32 7 1.2051 0.0019 1 32 8 0.5911 0.0011 1 33 1 -1.3030 -0.0011 1 33 2 0.1472 0.0003 1 33 3 -0.7076 0.0003 1 33 4 1.2931 -0.0012 1 33 5 -2.5571 -0.0036 1 33 6 0.0640 0.0010 1 33 7 1.5283 -0.0004 1 34 1 -0.9628 -0.0013 1 34 2 -3.6241 -0.0008 1 34 3 2.3471 -0.0006 1 34 4 -0.6859 -0.0025 1 34 5 -0.0302 -0.0007 1 35 1 1.3376 -0.0016 1 35 2 -2.2320 -0.0020 1 35 3 0.8421 -0.0002 2 0 2 44.8038 0.0018 2 0 4 20.9087 0.0018 2 0 6 11.7662 0.0093 2 0 8 -7.5229 -0.0144 2 0 10 5.7424 -0.0105 2 0 12 -4.7307 0.0086 2 0 14 -1.1417 0.0074 2 0 16 0.9339 -0.0048 2 1 2 -1.0845 0.0053 2 1 3 -21.8612 0.0063 2 1 4 -13.9486 -0.0035 2 1 5 -6.3150 -0.0065 2 1 6 -1.0884 0.0081 2 1 7 -6.0096 0.0102 2 1 8 -1.9429 -0.0089 2 1 9 -1.0455 -0.0087 2 1 10 -0.7786 0.0039 2 1 11 -1.7535 -0.0048 2 1 12 1.2145 0.0014 2 1 13 2.1581 0.0003 2 1 14 2.7066 0.0038 2 1 15 0.8243 0.0069 2 1 16 1.7292 -0.0087 2 1 17 0.3632 -0.0074 2 1 18 -0.2024 0.0027 2 1 19 -0.3693 -0.0004 2 2 2 14.7360 -0.0118 2 2 3 -0.3270 -0.0036 2 2 4 9.6911 -0.0002 2 2 5 1.1330 0.0053 2 2 6 1.3854 -0.0041 2 2 7 9.2094 -0.0038 2 2 8 3.8283 -0.0011 2 2 9 -1.1481 -0.0005 2 2 10 1.6189 -0.0062 2 2 11 4.5741 -0.0032 2 2 12 3.3714 0.0007 2 2 13 -1.5703 0.0029 2 2 14 0.2863 -0.0029 2 2 15 -3.8789 -0.0025 2 2 16 -3.9466 0.0024 2 2 17 1.4158 0.0024 2 2 18 -0.2310 -0.0043 2 2 19 -1.3626 -0.0022 2 3 2 -24.7659 -0.0040 2 3 3 5.0000 -0.0019 2 3 4 3.5432 0.0019 2 3 5 -12.9110 -0.0023 2 3 6 7.4123 0.0036 2 3 7 -3.3338 0.0039 2 3 8 -2.1776 -0.0002 2 3 9 -1.7529 -0.0066 2 3 10 -1.4110 0.0004 2 3 11 -1.1325 -0.0041 2 3 12 -2.7348 -0.0015 2 3 13 -4.6167 0.0014 2 3 14 3.7928 -0.0001 2 3 15 -0.4083 -0.0017 2 3 16 0.1198 0.0016 2 3 17 -0.4382 -0.0024 2 3 18 2.7983 -0.0002 2 3 19 1.2775 -0.0001 2 4 2 10.0064 0.0022 2 4 4 1.6520 0.0029 2 4 5 9.2256 -0.0033 2 4 6 -3.8569 -0.0030 2 4 7 0.2593 0.0028 2 4 8 1.2723 0.0053 2 4 9 -1.8405 -0.0010 2 4 10 0.3557 -0.0028 2 4 11 1.4990 0.0008 2 4 12 3.8936 -0.0008 2 4 13 -2.0782 -0.0006 2 4 14 5.6916 0.0007 2 4 15 0.4015 0.0025 2 4 16 0.4067 0.0001 2 4 17 -2.0736 0.0005 2 4 18 -3.6612 -0.0003 2 4 19 3.2225 0.0013 2 5 2 -7.4854 -0.0052 2 5 4 -1.0227 0.0037 2 5 5 -5.8193 -0.0024 2 5 6 -6.9006 -0.0045 2 5 7 1.5785 0.0040 2 5 8 -1.1900 -0.0003 2 5 9 3.0851 -0.0021 2 5 10 -1.2726 -0.0006 2 5 11 0.2245 0.0010 2 5 12 2.8791 0.0011 2 5 13 -3.6225 0.0010 2 5 14 -0.8834 -0.0003 2 5 15 1.9116 0.0018 2 5 16 0.1430 0.0017 2 5 17 -0.3841 -0.0011 2 5 18 -5.2697 -0.0008 2 5 19 -0.0663 0.0032 2 6 2 -11.3592 0.0022 2 6 3 10.5514 0.0018 2 6 4 1.3070 -0.0020 2 6 5 13.6106 -0.0016 2 6 6 -0.4318 0.0021 2 6 7 -1.9308 -0.0009 2 6 8 4.1004 0.0010 2 6 9 0.0855 -0.0009 2 6 10 -3.6257 0.0002 2 6 11 -0.3399 0.0014 2 6 12 0.1191 0.0010 2 6 13 0.9004 0.0003 2 6 14 -0.8659 0.0005 2 6 15 0.1049 0.0003 2 6 16 -1.7245 0.0014 2 6 17 5.0328 -0.0001 2 6 18 0.1076 -0.0015 2 6 19 3.0663 0.0003 2 7 2 1.7549 -0.0027 2 7 3 -7.8931 0.0029 2 7 4 2.7667 0.0035 2 7 5 2.1951 -0.0007 2 7 6 -0.4336 0.0003 2 7 7 3.2886 0.0028 2 7 8 -6.0752 -0.0014 2 7 9 1.6481 0.0020 2 7 10 -0.1984 0.0001 2 7 11 0.0156 0.0009 2 7 12 -1.7549 -0.0000 2 7 13 2.5906 0.0010 2 7 14 -3.4396 0.0014 2 7 15 2.4754 0.0021 2 7 16 2.6269 -0.0008 2 7 17 -0.3641 0.0003 2 7 18 -1.7669 0.0009 2 7 19 -0.2874 -0.0016 2 8 2 -4.4740 -0.0011 2 8 3 4.9230 0.0001 2 8 4 -9.7869 0.0016 2 8 5 -3.3306 0.0034 2 8 6 8.5991 -0.0008 2 8 7 -5.2922 -0.0022 2 8 8 0.3607 0.0023 2 8 9 6.7662 0.0017 2 8 10 -1.2182 -0.0016 2 8 11 0.8844 -0.0025 2 8 12 1.0922 0.0008 2 8 13 -3.7272 0.0010 2 8 14 0.3293 0.0018 2 8 15 3.1307 -0.0000 2 8 16 -0.6137 0.0013 2 8 17 3.4882 0.0007 2 8 18 -3.2817 0.0000 2 8 19 -0.3543 0.0019 2 9 2 18.9705 0.0003 2 9 3 -2.8493 0.0017 2 9 4 -0.3613 0.0025 2 9 5 4.4125 -0.0007 2 9 6 -5.0467 -0.0007 2 9 7 0.0701 0.0001 2 9 8 1.3805 0.0009 2 9 9 -3.9269 0.0004 2 9 10 0.8609 -0.0008 2 9 11 1.6199 -0.0012 2 9 12 0.4924 0.0002 2 9 13 0.9597 0.0010 2 9 14 -0.5359 0.0011 2 9 15 -4.5335 0.0015 2 9 16 1.1724 0.0005 2 9 17 2.4946 -0.0006 2 9 18 1.1662 -0.0013 2 9 19 -2.4148 -0.0016 2 10 2 -8.7322 -0.0011 2 10 3 0.3604 0.0023 2 10 4 8.1209 0.0023 2 10 5 -5.9179 -0.0001 2 10 6 6.4036 -0.0011 2 10 7 4.8008 0.0020 2 10 8 -3.6263 0.0015 2 10 9 3.8488 -0.0018 2 10 10 2.7900 -0.0000 2 10 11 -4.6694 -0.0001 2 10 12 2.1257 0.0016 2 10 13 1.0110 0.0009 2 10 14 -1.1673 -0.0002 2 10 15 0.0176 0.0002 2 10 16 -2.0174 0.0009 2 10 17 -1.9116 -0.0012 2 10 18 -1.2142 -0.0007 2 10 19 -2.2863 -0.0005 2 11 2 -15.7678 -0.0002 2 11 3 0.5910 0.0004 2 11 4 -6.8038 0.0030 2 11 5 5.0110 -0.0003 2 11 6 0.3822 -0.0017 2 11 7 0.3868 0.0013 2 11 8 -0.8367 0.0001 2 11 9 -0.4405 -0.0004 2 11 10 0.5374 -0.0002 2 11 11 1.4652 0.0005 2 11 12 -1.4077 0.0000 2 11 13 0.6652 -0.0005 2 11 14 2.2413 0.0004 2 11 15 -1.9297 0.0010 2 11 16 -1.5975 0.0001 2 11 17 0.5468 -0.0003 2 11 18 2.8082 -0.0026 2 12 2 -1.2797 0.0003 2 12 3 3.8962 0.0014 2 12 4 2.1458 -0.0004 2 12 5 -2.7503 0.0013 2 12 6 -5.9076 -0.0000 2 12 7 3.3791 -0.0001 2 12 8 -6.2403 -0.0007 2 12 9 -1.2415 0.0006 2 12 10 2.0606 0.0015 2 12 11 0.6971 -0.0012 2 12 12 -1.2838 -0.0003 2 12 13 -0.6088 -0.0005 2 12 14 -0.7115 -0.0005 2 12 15 -0.0303 0.0002 2 12 16 -0.5002 -0.0005 2 12 17 4.9918 -0.0008 2 12 18 1.1455 0.0001 2 13 2 2.0071 -0.0009 2 13 3 2.9811 -0.0001 2 13 4 -6.9695 0.0030 2 13 5 5.8510 0.0006 2 13 6 2.7223 0.0003 2 13 7 1.6461 -0.0009 2 13 8 2.3565 0.0005 2 13 9 1.3805 -0.0001 2 13 10 -4.9549 0.0002 2 13 11 2.7485 0.0004 2 13 12 2.0251 -0.0002 2 13 13 -4.4468 0.0008 2 13 14 0.6788 -0.0006 2 13 15 4.2908 0.0009 2 13 16 -0.7918 0.0001 2 13 17 1.2264 -0.0005 2 13 18 -1.2418 0.0020 2 14 2 4.2202 -0.0001 2 14 3 -17.4467 0.0005 2 14 4 2.6474 0.0019 2 14 5 5.8712 0.0005 2 14 6 -7.3329 -0.0019 2 14 7 6.1692 -0.0012 2 14 8 3.1653 -0.0006 2 14 9 -4.4595 0.0007 2 14 10 1.5802 -0.0013 2 14 11 -1.5113 -0.0009 2 14 12 -0.5911 0.0007 2 14 13 2.8880 0.0006 2 14 14 -0.1420 0.0001 2 14 15 2.9193 -0.0001 2 14 16 3.3650 0.0003 2 14 17 -1.6859 0.0023 2 14 18 2.1633 -0.0010 2 15 2 -4.2234 0.0000 2 15 3 -1.1790 -0.0007 2 15 4 0.7787 0.0010 2 15 5 -8.7913 -0.0003 2 15 6 2.5199 -0.0005 2 15 7 -0.7807 0.0002 2 15 8 -2.3002 0.0001 2 15 9 3.5158 0.0002 2 15 10 -0.0628 -0.0003 2 15 11 -2.5284 -0.0010 2 15 12 1.7413 -0.0001 2 15 13 -1.0069 -0.0007 2 15 14 -2.3469 -0.0000 2 15 15 -2.1448 -0.0003 2 15 16 -1.7088 0.0003 2 15 17 2.4610 0.0006 2 16 2 2.5283 -0.0019 2 16 3 7.0220 0.0013 2 16 4 -5.2785 -0.0001 2 16 5 1.8724 -0.0003 2 16 6 2.2467 -0.0014 2 16 7 -4.4061 0.0000 2 16 8 4.3737 0.0015 2 16 9 -0.0046 -0.0001 2 16 10 -0.5439 0.0004 2 16 11 -1.1567 -0.0001 2 16 12 -3.3106 -0.0003 2 16 13 -0.8892 -0.0004 2 16 14 0.3040 -0.0000 2 16 15 -1.2946 0.0000 2 16 16 -1.2740 0.0006 2 16 17 1.0628 0.0006 2 17 2 0.6726 -0.0008 2 17 3 2.5618 -0.0012 2 17 4 -3.4004 0.0014 2 17 5 -0.6369 0.0001 2 17 6 -1.8805 -0.0002 2 17 7 -0.6909 -0.0006 2 17 8 1.5015 0.0002 2 17 9 -0.4913 0.0003 2 17 10 0.2014 -0.0010 2 17 11 0.1054 0.0004 2 17 12 -0.4290 -0.0006 2 17 13 -0.1212 0.0005 2 17 14 0.7272 -0.0008 2 17 15 1.9470 -0.0003 2 17 16 3.1479 0.0030 2 17 17 0.0780 -0.0037 2 18 2 3.8890 0.0007 2 18 3 -1.3430 -0.0001 2 18 4 -6.3822 -0.0008 2 18 5 0.0403 0.0009 2 18 6 -3.3125 0.0001 2 18 7 0.1351 -0.0002 2 18 8 0.5784 -0.0003 2 18 9 3.5664 0.0000 2 18 10 -1.4317 -0.0003 2 18 11 2.1641 -0.0009 2 18 12 -2.8741 -0.0004 2 18 13 0.7135 -0.0001 2 18 14 -0.2872 0.0006 2 18 15 -0.6291 0.0003 2 18 16 3.0419 0.0000 2 18 17 -0.3920 -0.0010 2 19 2 2.7749 -0.0015 2 19 3 -0.8252 -0.0008 2 19 4 5.4435 0.0017 2 19 5 1.9536 0.0003 2 19 6 -1.7774 -0.0004 2 19 7 3.1920 -0.0003 2 19 8 -2.1523 0.0002 2 19 9 0.8477 -0.0000 2 19 10 -0.0322 0.0006 2 19 11 -2.1149 -0.0001 2 19 12 2.1713 0.0002 2 19 13 -1.7913 -0.0004 2 19 14 0.8079 0.0008 2 19 15 -0.9836 0.0011 2 19 16 -2.3558 -0.0010 2 20 2 -0.0617 -0.0006 2 20 3 3.2408 -0.0011 2 20 4 4.2481 0.0007 2 20 5 -1.4454 0.0010 2 20 6 0.4615 -0.0010 2 20 7 -1.6394 -0.0006 2 20 8 -3.4923 0.0008 2 20 9 0.7770 0.0007 2 20 10 2.0085 0.0000 2 20 11 -0.7731 -0.0008 2 20 12 -0.5195 -0.0008 2 20 13 -0.9434 -0.0001 2 20 14 1.3726 -0.0003 2 20 15 0.4936 -0.0008 2 20 16 -1.6307 0.0018 2 21 2 -1.5563 -0.0006 2 21 3 0.4591 0.0000 2 21 4 -0.3641 0.0003 2 21 5 2.9815 0.0001 2 21 6 -0.0130 0.0004 2 21 7 -2.9853 -0.0005 2 21 8 -0.8925 -0.0004 2 21 9 -1.8010 0.0002 2 21 10 1.0032 -0.0002 2 21 11 -0.6604 -0.0011 2 21 12 0.5753 -0.0000 2 21 13 -0.1745 -0.0002 2 21 14 -3.3769 -0.0003 2 21 15 1.2460 0.0005 2 22 2 -0.9969 -0.0005 2 22 3 1.0089 0.0003 2 22 4 -0.8441 0.0004 2 22 5 1.3376 -0.0001 2 22 6 -1.2581 -0.0004 2 22 7 0.3684 0.0008 2 22 8 -1.1896 0.0001 2 22 9 -0.6254 -0.0005 2 22 10 0.8210 0.0003 2 22 11 -0.4083 -0.0002 2 22 12 0.5892 -0.0005 2 22 13 -0.6082 0.0003 2 22 14 -0.6742 -0.0017 2 22 15 1.1518 -0.0010 2 23 2 2.4594 -0.0004 2 23 3 -1.7747 -0.0008 2 23 4 -2.4284 0.0004 2 23 5 1.6050 0.0011 2 23 6 1.1808 0.0002 2 23 7 3.8213 -0.0007 2 23 8 0.1213 0.0006 2 23 9 0.4118 0.0003 2 23 10 -1.1106 -0.0011 2 23 11 -0.1571 -0.0002 2 23 12 0.5829 0.0000 2 23 13 1.6071 -0.0008 2 23 14 -1.0239 -0.0004 2 24 2 -3.3547 0.0001 2 24 3 -0.0939 -0.0008 2 24 4 1.0888 0.0004 2 24 5 1.1379 0.0017 2 24 6 -0.8104 -0.0001 2 24 7 1.0390 -0.0005 2 24 8 0.0323 0.0001 2 24 9 -1.3801 0.0004 2 24 10 2.5212 0.0004 2 24 11 0.8989 -0.0000 2 24 12 0.2842 0.0001 2 24 13 2.4691 -0.0010 2 24 14 -0.1614 -0.0004 2 25 2 -0.5817 -0.0010 2 25 3 1.6676 0.0001 2 25 4 -0.9921 0.0011 2 25 5 -0.3433 0.0008 2 25 6 0.4711 0.0008 2 25 7 -0.9788 -0.0004 2 25 8 1.7966 -0.0001 2 25 9 2.9031 -0.0003 2 25 10 -1.6145 -0.0000 2 25 11 -0.1406 -0.0002 2 25 12 -3.7277 0.0002 2 25 13 -0.1383 -0.0011 2 26 2 -0.2514 0.0003 2 26 3 -1.5167 -0.0003 2 26 4 -1.1230 0.0013 2 26 5 0.6787 0.0005 2 26 6 -2.3790 0.0001 2 26 7 -2.3281 -0.0002 2 26 8 -3.3694 0.0001 2 26 9 -0.3965 0.0003 2 26 10 1.4882 0.0002 2 26 11 0.2867 -0.0007 2 26 12 -3.1115 -0.0006 2 26 13 -1.3190 0.0014 2 27 2 -1.0895 0.0005 2 27 3 -0.6072 -0.0001 2 27 4 -2.2029 -0.0004 2 27 5 -1.9868 0.0008 2 27 6 5.5211 0.0004 2 27 7 -1.0200 -0.0007 2 27 8 0.5572 -0.0002 2 27 9 -0.0329 0.0005 2 27 10 -0.7213 0.0001 2 27 11 0.5649 -0.0001 2 27 12 -0.2942 -0.0009 2 28 2 2.1087 0.0001 2 28 3 0.0034 -0.0002 2 28 4 -4.0491 0.0005 2 28 5 1.4806 0.0000 2 28 6 0.9858 0.0006 2 28 7 2.1853 -0.0005 2 28 8 6.6510 -0.0006 2 28 9 -3.9132 -0.0004 2 28 10 -0.2678 0.0012 2 28 11 2.4772 -0.0000 2 29 2 -1.5701 0.0006 2 29 3 -0.0703 0.0001 2 29 4 0.3340 0.0000 2 29 5 -2.6504 0.0008 2 29 6 -0.6777 -0.0003 2 29 7 1.5417 -0.0004 2 29 8 -0.3933 -0.0010 2 29 9 1.8486 0.0006 2 29 10 1.2161 0.0000 2 29 11 0.5027 0.0021 2 30 2 0.2882 -0.0008 2 30 3 2.8503 -0.0007 2 30 4 -1.8379 0.0003 2 30 5 2.2410 0.0004 2 30 6 0.8130 -0.0004 2 30 7 -2.1994 0.0002 2 30 8 0.4696 0.0007 2 30 9 1.2060 -0.0016 2 30 10 -2.1909 -0.0005 2 31 2 3.6914 -0.0001 2 31 3 0.7263 -0.0004 2 31 4 -0.3942 0.0003 2 31 5 -0.9338 0.0003 2 31 6 -2.1258 -0.0006 2 31 7 0.6904 0.0009 2 31 8 -4.0391 -0.0003 2 31 9 -2.0898 -0.0005 2 32 2 -0.9186 0.0012 2 32 3 1.0646 -0.0000 2 32 4 0.2737 0.0001 2 32 5 -0.1989 0.0005 2 32 6 0.7379 0.0002 2 32 7 0.4800 -0.0005 2 32 8 1.2354 0.0016 2 33 2 0.1053 0.0016 2 33 3 2.5086 0.0001 2 33 4 1.4415 -0.0009 2 33 5 -0.5348 -0.0012 2 33 6 -0.8252 0.0011 2 34 2 -0.9600 0.0010 2 34 3 2.5036 -0.0005 2 34 4 -0.3884 -0.0027 2 35 2 1.5388 0.0007 3 0 3 32.5531 0.0069 3 0 5 10.2373 0.0013 3 0 7 4.0976 -0.0092 3 0 9 -1.6059 -0.0129 3 0 11 -3.3550 0.0161 3 0 13 -0.3423 0.0018 3 0 15 -2.3046 0.0024 3 0 17 3.5289 -0.0146 3 0 19 1.4319 0.0055 3 1 3 1.2905 -0.0072 3 1 4 -13.3801 -0.0070 3 1 5 -7.1858 0.0121 3 1 6 -3.0815 0.0081 3 1 7 -5.6470 -0.0063 3 1 8 -1.4440 -0.0052 3 1 9 2.8957 0.0042 3 1 10 -5.0181 0.0062 3 1 11 -4.7599 0.0025 3 1 12 4.4438 -0.0016 3 1 13 6.4011 0.0017 3 1 14 -1.6150 0.0044 3 1 15 0.9377 -0.0104 3 1 16 -0.5213 -0.0112 3 1 17 -3.8041 0.0081 3 1 18 0.6752 0.0030 3 1 19 2.6339 0.0000 3 2 3 2.9673 0.0022 3 2 4 2.7153 0.0024 3 2 5 2.1087 -0.0006 3 2 6 4.3693 -0.0017 3 2 7 3.7843 0.0014 3 2 8 4.8277 0.0007 3 2 9 1.6730 0.0010 3 2 10 1.5107 -0.0026 3 2 11 3.3532 -0.0005 3 2 12 -0.2157 0.0018 3 2 13 -1.5117 0.0019 3 2 14 -2.3628 -0.0009 3 2 15 -0.1926 -0.0031 3 2 16 -0.7371 -0.0008 3 2 17 -4.3075 -0.0007 3 2 18 0.5427 -0.0005 3 2 19 -0.5746 0.0015 3 3 3 3.6225 -0.0042 3 3 4 -6.6299 0.0010 3 3 5 -0.4082 0.0033 3 3 6 -0.0728 0.0025 3 3 7 5.0602 -0.0048 3 3 8 -1.0179 -0.0013 3 3 9 -2.3847 0.0004 3 3 10 0.0943 -0.0029 3 3 11 -4.9603 -0.0021 3 3 12 -3.8816 0.0058 3 3 13 3.6601 -0.0003 3 3 14 -1.8348 0.0002 3 3 15 -0.7050 -0.0010 3 3 16 1.5105 -0.0049 3 3 17 2.4048 -0.0013 3 3 18 0.4323 0.0003 3 3 19 -2.5132 -0.0049 3 4 3 6.8060 0.0056 3 4 4 3.3911 -0.0009 3 4 5 -0.9268 -0.0022 3 4 6 -4.1431 0.0000 3 4 7 -0.2468 0.0012 3 4 8 0.5002 -0.0002 3 4 9 0.1992 0.0015 3 4 10 -0.6381 -0.0034 3 4 11 0.5259 0.0020 3 4 12 -2.7484 -0.0009 3 4 13 5.6754 0.0009 3 4 14 -0.0212 -0.0017 3 4 15 -0.1228 0.0015 3 4 16 -0.5541 0.0007 3 4 17 -2.0235 -0.0030 3 4 18 0.1163 -0.0005 3 4 19 0.3824 -0.0039 3 5 3 -7.3972 0.0042 3 5 4 -1.6609 -0.0038 3 5 5 -5.6435 -0.0057 3 5 6 -2.3584 0.0037 3 5 7 -0.9741 0.0032 3 5 8 4.3516 -0.0011 3 5 9 2.4523 -0.0024 3 5 10 3.0410 0.0003 3 5 11 -0.4683 0.0001 3 5 12 -5.4573 0.0013 3 5 13 1.7133 -0.0021 3 5 14 3.0500 0.0029 3 5 15 2.7495 0.0007 3 5 16 -0.5072 -0.0025 3 5 17 -5.9044 -0.0013 3 5 18 2.0320 0.0021 3 5 19 -1.7815 0.0005 3 6 3 0.2138 -0.0008 3 6 4 11.9182 -0.0027 3 6 5 0.8837 -0.0003 3 6 6 -4.8129 -0.0026 3 6 7 0.3121 0.0005 3 6 8 0.9015 -0.0001 3 6 9 -0.5121 0.0007 3 6 10 -0.8523 0.0002 3 6 11 2.7091 0.0006 3 6 12 -0.5276 -0.0015 3 6 13 -1.5791 -0.0006 3 6 14 0.9884 -0.0018 3 6 15 -1.2076 0.0001 3 6 16 3.0634 -0.0010 3 6 17 0.4906 -0.0006 3 6 18 1.6494 0.0021 3 6 19 1.6135 -0.0010 3 7 3 1.8578 0.0007 3 7 4 5.5663 -0.0027 3 7 5 -3.4768 0.0029 3 7 6 1.9688 0.0012 3 7 7 -3.5351 -0.0027 3 7 8 -0.8013 -0.0012 3 7 9 -1.2231 0.0020 3 7 10 1.0758 0.0019 3 7 11 0.0564 -0.0026 3 7 12 2.5617 -0.0003 3 7 13 -2.1383 0.0000 3 7 14 -0.5983 0.0006 3 7 15 0.4731 -0.0019 3 7 16 2.2139 -0.0010 3 7 17 -0.4397 0.0002 3 7 18 -0.8839 -0.0009 3 8 3 -3.2095 0.0014 3 8 4 -3.0556 0.0002 3 8 5 12.5688 -0.0009 3 8 6 -1.3617 0.0021 3 8 7 -4.5774 -0.0009 3 8 8 4.5800 0.0020 3 8 9 0.5770 0.0001 3 8 10 0.0794 -0.0014 3 8 11 -1.8370 0.0001 3 8 12 -0.2098 -0.0000 3 8 13 -2.0816 -0.0000 3 8 14 3.6780 -0.0002 3 8 15 3.1204 0.0009 3 8 16 3.8132 0.0010 3 8 17 -1.3816 -0.0006 3 8 18 2.2603 0.0001 3 9 3 -2.7953 0.0025 3 9 4 2.2372 -0.0000 3 9 5 -3.0182 -0.0013 3 9 6 -3.7635 -0.0028 3 9 7 -1.2547 0.0012 3 9 8 -2.4904 0.0008 3 9 9 -0.7497 -0.0007 3 9 10 3.6897 -0.0006 3 9 11 1.6470 -0.0013 3 9 12 -0.8757 0.0011 3 9 13 2.4280 0.0005 3 9 14 0.0513 0.0007 3 9 15 1.0872 0.0019 3 9 16 0.5333 0.0006 3 9 17 1.5924 -0.0005 3 9 18 -1.2725 0.0002 3 10 3 9.8510 0.0001 3 10 4 -7.0012 -0.0005 3 10 5 2.8994 -0.0017 3 10 6 6.9814 0.0002 3 10 7 -2.9766 0.0012 3 10 8 0.3429 0.0015 3 10 9 2.2076 -0.0004 3 10 10 -1.0395 0.0002 3 10 11 0.3030 0.0002 3 10 12 0.6538 0.0006 3 10 13 -1.1722 0.0015 3 10 14 -1.2503 0.0004 3 10 15 -1.1385 0.0003 3 10 16 0.2893 -0.0001 3 10 17 0.3521 0.0005 3 10 18 -4.2862 -0.0003 3 11 3 -2.1816 0.0012 3 11 4 5.1172 -0.0009 3 11 5 2.9839 -0.0017 3 11 6 0.7777 0.0021 3 11 7 0.2174 0.0020 3 11 8 -0.2326 -0.0017 3 11 9 -1.9076 0.0006 3 11 10 -1.3504 0.0013 3 11 11 2.5126 0.0007 3 11 12 0.9999 -0.0001 3 11 13 1.0532 -0.0005 3 11 14 -0.9984 0.0012 3 11 15 -1.2571 0.0016 3 11 16 -1.9604 -0.0015 3 11 17 -2.7073 -0.0011 3 11 18 1.2946 -0.0006 3 12 3 2.4281 -0.0005 3 12 4 -2.4019 0.0008 3 12 5 -11.8017 0.0006 3 12 6 3.8571 0.0001 3 12 7 -4.9795 0.0001 3 12 8 -2.9527 -0.0001 3 12 9 3.3756 -0.0006 3 12 10 -0.2135 -0.0006 3 12 11 -1.1870 0.0005 3 12 12 1.7469 -0.0006 3 12 13 0.6954 0.0002 3 12 14 -1.0848 0.0008 3 12 15 -0.2790 0.0003 3 12 16 1.7757 0.0014 3 12 17 -0.1387 -0.0006 3 12 18 1.9086 -0.0012 3 13 3 -4.2899 0.0023 3 13 4 1.5095 -0.0002 3 13 5 4.8082 0.0007 3 13 6 -0.5758 0.0005 3 13 7 -0.7980 -0.0001 3 13 8 2.3883 0.0003 3 13 9 -3.3027 0.0009 3 13 10 1.1343 -0.0005 3 13 11 2.0523 -0.0007 3 13 12 -1.9809 0.0005 3 13 13 1.8306 0.0004 3 13 14 1.3682 0.0002 3 13 15 -2.7270 0.0002 3 13 16 2.1693 -0.0013 3 13 17 -1.4971 0.0015 3 14 3 -1.5575 0.0022 3 14 4 11.0619 0.0016 3 14 5 -4.9923 -0.0010 3 14 6 2.6609 -0.0006 3 14 7 4.6204 -0.0008 3 14 8 -5.6034 0.0008 3 14 9 -2.3077 -0.0002 3 14 10 1.7307 0.0005 3 14 11 -0.4701 0.0005 3 14 12 0.8458 0.0002 3 14 13 0.3008 0.0002 3 14 14 3.8023 0.0002 3 14 15 1.6998 -0.0003 3 14 16 0.5110 0.0001 3 14 17 -0.9099 -0.0007 3 15 3 1.4274 0.0010 3 15 4 -3.8016 0.0002 3 15 5 -0.6397 -0.0005 3 15 6 2.8941 0.0005 3 15 7 -0.9794 -0.0008 3 15 8 0.4306 -0.0001 3 15 9 0.5463 -0.0002 3 15 10 -2.6778 -0.0013 3 15 11 1.6025 0.0010 3 15 12 1.8754 0.0001 3 15 13 -1.9809 -0.0001 3 15 14 2.0743 0.0006 3 15 15 1.7404 0.0002 3 15 16 -1.4954 0.0004 3 15 17 -0.2076 -0.0011 3 16 3 -0.7379 0.0002 3 16 4 2.3646 -0.0001 3 16 5 3.3137 -0.0003 3 16 6 -3.0535 0.0003 3 16 7 4.0524 0.0014 3 16 8 1.8694 -0.0011 3 16 9 -1.2408 0.0003 3 16 10 -2.2983 -0.0003 3 16 11 -2.2792 -0.0005 3 16 12 1.0531 -0.0001 3 16 13 0.3803 0.0001 3 16 14 -2.2088 0.0000 3 16 15 -3.5725 0.0005 3 16 16 1.1169 0.0027 3 16 17 2.0240 -0.0012 3 17 3 -2.0546 0.0016 3 17 4 -1.1808 -0.0001 3 17 5 -1.2240 -0.0004 3 17 6 -0.0820 -0.0001 3 17 7 -0.5734 0.0005 3 17 8 0.7754 0.0000 3 17 9 0.6733 -0.0008 3 17 10 -2.7440 0.0008 3 17 11 -0.4146 -0.0002 3 17 12 -0.0991 -0.0002 3 17 13 -0.3838 -0.0004 3 17 14 -0.7080 -0.0002 3 17 15 1.4624 0.0015 3 17 16 -0.2597 0.0000 3 18 3 -9.6964 -0.0002 3 18 4 -0.6023 0.0007 3 18 5 -0.9008 -0.0007 3 18 6 -2.9645 -0.0014 3 18 7 0.6369 0.0011 3 18 8 4.2522 0.0003 3 18 9 -0.5748 -0.0008 3 18 10 3.0991 -0.0001 3 18 11 -3.3483 -0.0005 3 18 12 -1.7322 -0.0002 3 18 13 0.6057 -0.0002 3 18 14 -0.3376 -0.0002 3 18 15 4.6135 0.0024 3 18 16 -1.4835 -0.0027 3 19 3 -0.5141 0.0007 3 19 4 1.4426 -0.0000 3 19 5 -2.7796 -0.0001 3 19 6 2.4096 0.0002 3 19 7 -0.8218 -0.0007 3 19 8 1.0986 -0.0003 3 19 9 -0.5491 0.0000 3 19 10 -0.2493 -0.0002 3 19 11 -1.2398 0.0003 3 19 12 1.0201 -0.0002 3 19 13 1.0378 -0.0003 3 19 14 -1.0313 0.0007 3 19 15 0.7670 -0.0000 3 19 16 0.1495 0.0008 3 20 3 3.4016 0.0011 3 20 4 -3.2781 -0.0001 3 20 5 0.5886 -0.0009 3 20 6 1.8612 -0.0002 3 20 7 -3.6551 0.0008 3 20 8 1.0972 -0.0003 3 20 9 2.5703 0.0002 3 20 10 -1.5924 -0.0002 3 20 11 0.9720 -0.0003 3 20 12 -2.2276 0.0002 3 20 13 2.2366 -0.0006 3 20 14 -0.9778 0.0001 3 20 15 -0.8243 -0.0010 3 21 3 2.8220 0.0006 3 21 4 0.6241 0.0006 3 21 5 -0.3388 -0.0002 3 21 6 -3.3142 -0.0006 3 21 7 -2.9968 -0.0001 3 21 8 -1.5102 0.0011 3 21 9 0.7258 -0.0005 3 21 10 -0.0059 -0.0005 3 21 11 -1.6516 -0.0006 3 21 12 -0.6955 0.0003 3 21 13 -0.2392 0.0007 3 21 14 0.1834 -0.0003 3 21 15 -0.9476 0.0018 3 22 3 0.7284 0.0006 3 22 4 2.0081 0.0003 3 22 5 -2.7783 -0.0007 3 22 6 -1.9299 -0.0005 3 22 7 -0.9913 -0.0002 3 22 8 -2.5183 0.0001 3 22 9 2.4363 0.0010 3 22 10 -0.3765 -0.0006 3 22 11 0.6087 -0.0002 3 22 12 -0.3202 -0.0002 3 22 13 -0.2075 -0.0013 3 22 14 0.8126 0.0001 3 23 3 -0.4680 0.0005 3 23 4 3.9937 0.0001 3 23 5 1.9863 -0.0005 3 23 6 2.5324 0.0003 3 23 7 0.1786 0.0006 3 23 8 -1.0758 0.0003 3 23 9 -0.5206 -0.0006 3 23 10 1.1669 0.0001 3 23 11 2.3534 -0.0002 3 23 12 -1.8420 0.0000 3 23 13 0.2249 -0.0005 3 23 14 1.5746 0.0000 3 24 3 -0.9522 -0.0000 3 24 4 2.4035 0.0010 3 24 5 1.6351 -0.0002 3 24 6 1.2561 -0.0005 3 24 7 -2.3843 0.0008 3 24 8 -3.8950 0.0005 3 24 9 0.7450 -0.0005 3 24 10 2.8308 -0.0003 3 24 11 1.4998 0.0006 3 24 12 2.9832 -0.0016 3 24 13 1.0273 0.0001 3 25 3 -3.3036 0.0001 3 25 4 -0.5161 0.0006 3 25 5 4.6173 0.0001 3 25 6 0.1512 -0.0003 3 25 7 4.1181 0.0000 3 25 8 1.3273 0.0003 3 25 9 -2.5031 0.0002 3 25 10 0.2299 0.0002 3 25 11 1.3704 -0.0007 3 25 12 1.2898 -0.0006 3 25 13 -0.8703 -0.0000 3 26 3 0.7138 0.0008 3 26 4 0.9388 0.0003 3 26 5 -2.2123 0.0001 3 26 6 -2.3778 -0.0002 3 26 7 -1.0114 0.0008 3 26 8 -1.6725 -0.0002 3 26 9 -2.0080 0.0001 3 26 10 2.0290 -0.0007 3 26 11 -2.8619 0.0000 3 26 12 -0.7675 -0.0018 3 27 3 1.1663 0.0005 3 27 4 -2.9064 0.0004 3 27 5 1.2521 0.0001 3 27 6 -1.4579 0.0004 3 27 7 -3.5612 -0.0000 3 27 8 1.8182 0.0003 3 27 9 0.5013 -0.0007 3 27 10 -1.8434 0.0004 3 27 11 1.7834 -0.0006 3 27 12 2.7612 0.0031 3 28 3 -2.8904 0.0000 3 28 4 -0.2605 0.0004 3 28 5 4.4602 0.0005 3 28 6 -1.0746 0.0003 3 28 7 2.7617 0.0005 3 28 8 -4.0253 0.0004 3 28 9 -2.4973 0.0003 3 28 10 1.5486 -0.0013 3 28 11 -1.2054 0.0005 3 29 3 -1.3174 0.0011 3 29 4 -1.1223 0.0003 3 29 5 -0.5776 -0.0002 3 29 6 3.9296 -0.0007 3 29 7 0.4895 0.0000 3 29 8 -0.1736 0.0016 3 29 9 2.1758 -0.0001 3 29 10 -2.0049 -0.0006 3 30 3 -1.5152 -0.0008 3 30 4 0.6790 0.0009 3 30 5 0.3100 -0.0006 3 30 6 0.2187 -0.0005 3 30 7 1.7938 0.0001 3 30 8 2.0744 0.0010 3 30 9 -1.2657 0.0005 3 31 3 -1.3531 0.0001 3 31 4 0.9098 -0.0000 3 31 5 -4.2777 -0.0004 3 31 6 0.4045 0.0000 3 31 7 -3.2045 0.0000 3 31 8 -3.1019 -0.0008 3 32 3 -2.9774 -0.0010 3 32 4 -0.0994 -0.0001 3 32 5 1.4225 -0.0017 3 32 6 1.8563 0.0011 3 32 7 -0.1904 0.0013 3 33 3 -0.0909 -0.0015 3 33 4 0.2338 -0.0013 3 33 5 -1.8290 0.0007 3 34 3 1.6876 -0.0034 3 34 4 0.5665 -0.0009 4 0 4 25.5363 -0.0077 4 0 6 5.7725 0.0080 4 0 8 -10.0602 -0.0027 4 0 10 4.7485 0.0120 4 0 12 -4.6321 0.0064 4 0 14 3.3869 0.0031 4 0 16 5.3231 -0.0122 4 0 18 -3.0388 0.0037 4 1 4 -9.9851 0.0005 4 1 5 3.1799 0.0048 4 1 6 4.3504 -0.0039 4 1 7 -10.8642 -0.0028 4 1 8 -4.3027 -0.0028 4 1 9 -3.0954 0.0031 4 1 10 -5.3713 0.0022 4 1 11 3.5772 0.0039 4 1 12 6.2096 -0.0045 4 1 13 -1.5730 0.0031 4 1 14 -4.3668 -0.0029 4 1 15 2.1575 -0.0044 4 1 16 1.9892 0.0004 4 1 17 -1.1526 0.0041 4 1 18 1.2174 0.0006 4 2 4 1.4378 -0.0011 4 2 5 9.4937 0.0029 4 2 6 -2.6564 0.0048 4 2 7 5.0796 -0.0034 4 2 8 3.1022 0.0010 4 2 9 -2.3940 -0.0006 4 2 10 2.5145 -0.0009 4 2 11 2.8266 -0.0029 4 2 12 0.6262 -0.0004 4 2 13 -3.0461 -0.0021 4 2 14 0.4794 0.0018 4 2 15 1.6287 -0.0011 4 2 16 -4.8682 0.0000 4 2 17 4.0198 0.0003 4 2 18 0.7698 0.0030 4 3 4 -2.7336 0.0050 4 3 5 -0.0197 -0.0011 4 3 6 11.9669 0.0011 4 3 7 1.7898 0.0030 4 3 8 -4.2650 -0.0012 4 3 9 -0.4503 -0.0003 4 3 10 -2.6056 -0.0049 4 3 11 0.0008 0.0030 4 3 12 0.5444 0.0008 4 3 13 -1.5739 0.0027 4 3 14 -1.1405 -0.0011 4 3 15 -0.7912 -0.0040 4 3 16 -1.2842 0.0020 4 3 17 2.8843 0.0028 4 3 18 -2.7420 -0.0021 4 4 4 -5.6148 -0.0044 4 4 5 0.8539 -0.0006 4 4 6 3.9545 -0.0024 4 4 7 0.8038 0.0034 4 4 8 -2.4841 0.0015 4 4 9 -4.5151 -0.0030 4 4 10 -0.4541 0.0007 4 4 11 0.9544 0.0010 4 4 12 3.1796 0.0024 4 4 13 -1.7485 -0.0006 4 4 14 -2.4708 -0.0015 4 4 15 -1.4328 0.0021 4 4 16 -1.9501 -0.0011 4 4 17 -1.9122 -0.0004 4 4 18 -0.8697 -0.0019 4 5 4 -5.5795 -0.0028 4 5 5 -8.0272 0.0019 4 5 6 4.9696 0.0014 4 5 7 9.1077 0.0005 4 5 8 1.3300 -0.0001 4 5 9 1.3062 -0.0003 4 5 10 -2.3792 0.0025 4 5 11 -5.0342 0.0010 4 5 12 5.4274 -0.0001 4 5 13 3.2849 0.0012 4 5 14 0.6210 0.0026 4 5 15 1.1650 -0.0030 4 5 16 -4.8156 -0.0027 4 5 17 -0.0480 -0.0003 4 5 18 -2.7339 0.0005 4 6 4 -2.1105 -0.0036 4 6 5 -6.4098 -0.0007 4 6 6 0.9455 0.0019 4 6 7 2.5500 0.0018 4 6 8 5.1829 -0.0006 4 6 9 0.0934 0.0003 4 6 10 -2.7923 0.0036 4 6 11 0.3652 0.0008 4 6 12 -0.4704 -0.0012 4 6 13 1.1750 0.0005 4 6 14 1.7000 0.0008 4 6 15 -0.9815 -0.0002 4 6 16 -2.6539 -0.0008 4 6 17 2.3397 -0.0005 4 6 18 -0.6653 -0.0023 4 7 4 -5.2853 0.0028 4 7 5 -3.2264 -0.0003 4 7 6 -3.8230 -0.0013 4 7 7 2.9818 -0.0018 4 7 8 1.6324 0.0003 4 7 9 -1.6644 -0.0004 4 7 10 2.3270 -0.0010 4 7 11 -1.1630 0.0007 4 7 12 -1.1887 0.0011 4 7 13 0.7087 -0.0004 4 7 14 -3.0989 -0.0005 4 7 15 -1.3035 -0.0023 4 7 16 1.8435 0.0007 4 7 17 -3.6725 0.0012 4 7 18 1.5457 -0.0011 4 8 4 9.8236 -0.0006 4 8 5 3.1548 0.0013 4 8 6 -4.7619 -0.0011 4 8 7 4.1687 0.0003 4 8 8 0.9709 0.0011 4 8 9 2.3356 -0.0007 4 8 10 -3.5581 -0.0009 4 8 11 0.9263 -0.0013 4 8 12 -1.9183 -0.0000 4 8 13 -1.1411 0.0011 4 8 14 1.2111 -0.0014 4 8 15 5.3987 0.0001 4 8 16 -0.7438 -0.0001 4 8 17 2.7552 -0.0009 4 8 18 -0.0557 0.0027 4 9 4 1.8430 0.0000 4 9 5 -5.6917 -0.0004 4 9 6 -4.8702 -0.0002 4 9 7 0.3344 -0.0013 4 9 8 0.6715 0.0003 4 9 9 2.5584 0.0003 4 9 10 1.3096 -0.0012 4 9 11 -0.1845 0.0015 4 9 12 0.3509 -0.0008 4 9 13 3.0138 -0.0005 4 9 14 3.6374 0.0025 4 9 15 -2.1610 -0.0010 4 9 16 1.5496 -0.0013 4 9 17 1.3350 -0.0000 4 9 18 -0.5767 -0.0015 4 10 4 0.4117 -0.0013 4 10 5 6.1239 -0.0019 4 10 6 -2.4074 0.0007 4 10 7 -0.2302 0.0015 4 10 8 1.7728 -0.0012 4 10 9 3.8362 0.0002 4 10 10 -0.9121 -0.0011 4 10 11 -3.4339 0.0005 4 10 12 0.9719 0.0005 4 10 13 0.0854 0.0002 4 10 14 -1.0114 0.0003 4 10 15 0.8376 0.0023 4 10 16 5.0870 -0.0011 4 10 17 -2.0260 0.0003 4 11 4 6.1191 -0.0024 4 11 5 2.1219 0.0015 4 11 6 -1.5308 0.0014 4 11 7 -2.2937 0.0002 4 11 8 -0.5502 0.0011 4 11 9 -0.9723 0.0010 4 11 10 1.0537 -0.0011 4 11 11 1.6071 -0.0008 4 11 12 -1.2336 -0.0001 4 11 13 -0.8022 0.0001 4 11 14 -1.0139 0.0014 4 11 15 -2.1406 -0.0018 4 11 16 -2.6821 0.0003 4 11 17 1.1163 -0.0006 4 12 4 -11.0728 0.0003 4 12 5 2.4939 -0.0010 4 12 6 -0.6469 0.0024 4 12 7 -3.5555 -0.0004 4 12 8 2.8115 -0.0005 4 12 9 -0.3786 0.0002 4 12 10 3.5493 0.0009 4 12 11 0.6186 0.0004 4 12 12 -1.6018 -0.0012 4 12 13 1.3412 0.0010 4 12 14 0.4388 0.0013 4 12 15 0.9558 0.0010 4 12 16 -1.8745 -0.0007 4 12 17 1.2185 0.0002 4 13 4 -0.9342 0.0000 4 13 5 1.9465 0.0008 4 13 6 -1.8106 -0.0009 4 13 7 1.1835 -0.0009 4 13 8 0.0994 -0.0003 4 13 9 -0.1007 -0.0004 4 13 10 0.5990 -0.0001 4 13 11 0.5405 0.0007 4 13 12 0.3591 0.0005 4 13 13 -1.3285 0.0005 4 13 14 -0.7732 0.0013 4 13 15 0.0923 -0.0001 4 13 16 -2.6084 0.0006 4 13 17 3.4647 -0.0039 4 14 4 -1.1192 -0.0007 4 14 5 -3.3477 0.0009 4 14 6 2.9354 -0.0003 4 14 7 -3.3204 0.0001 4 14 8 -3.3803 0.0002 4 14 9 1.9765 -0.0003 4 14 10 1.2823 -0.0002 4 14 11 1.1862 -0.0005 4 14 12 -1.1291 0.0005 4 14 13 0.3451 0.0000 4 14 14 -1.2348 0.0003 4 14 15 1.6003 0.0002 4 14 16 0.7294 0.0009 4 14 17 0.3128 -0.0007 4 15 4 -2.2112 -0.0013 4 15 5 2.4806 0.0012 4 15 6 -1.7232 0.0001 4 15 7 -1.9307 0.0002 4 15 8 -1.0915 -0.0006 4 15 9 1.1693 -0.0002 4 15 10 1.5991 0.0003 4 15 11 2.9185 -0.0005 4 15 12 -0.4596 0.0006 4 15 13 2.3905 0.0009 4 15 14 2.5642 -0.0005 4 15 15 -0.5619 -0.0006 4 15 16 -3.0614 0.0002 4 16 4 3.1548 0.0002 4 16 5 -1.3681 -0.0011 4 16 6 3.0571 0.0010 4 16 7 0.3770 0.0002 4 16 8 -1.9871 0.0005 4 16 9 -2.3799 -0.0012 4 16 10 0.3428 -0.0002 4 16 11 2.8669 0.0002 4 16 12 2.2002 -0.0005 4 16 13 0.0982 0.0001 4 16 14 -2.0655 0.0003 4 16 15 -0.3437 0.0015 4 16 16 0.9157 -0.0020 4 17 4 -2.3490 -0.0001 4 17 5 2.1431 0.0008 4 17 6 0.1438 -0.0002 4 17 7 0.6213 -0.0003 4 17 8 -0.5346 -0.0011 4 17 9 -4.3207 0.0007 4 17 10 -0.1468 -0.0004 4 17 11 1.8188 0.0002 4 17 12 1.2581 0.0003 4 17 13 -1.7342 0.0000 4 17 14 -1.5832 0.0005 4 17 15 0.1218 0.0018 4 17 16 0.7104 -0.0028 4 18 4 -0.4542 -0.0008 4 18 5 -1.1664 -0.0011 4 18 6 -0.2132 0.0012 4 18 7 4.8046 0.0003 4 18 8 0.6933 -0.0002 4 18 9 -0.8860 -0.0001 4 18 10 -1.0161 0.0007 4 18 11 -1.2586 -0.0007 4 18 12 -0.7327 0.0001 4 18 13 -0.5317 -0.0000 4 18 14 2.8157 0.0009 4 18 15 -1.9236 -0.0002 4 19 4 -2.4927 -0.0007 4 19 5 -1.7854 -0.0004 4 19 6 1.6033 0.0001 4 19 7 2.3290 0.0001 4 19 8 -0.4770 -0.0002 4 19 9 1.6749 0.0001 4 19 10 -3.3466 -0.0009 4 19 11 0.5819 -0.0006 4 19 12 0.9856 -0.0006 4 19 13 -1.0009 0.0002 4 19 14 2.3068 0.0015 4 19 15 -0.0202 -0.0016 4 20 4 1.0453 -0.0008 4 20 5 1.3181 -0.0003 4 20 6 -1.4935 -0.0002 4 20 7 1.4149 -0.0005 4 20 8 3.3743 -0.0001 4 20 9 0.3937 -0.0003 4 20 10 -1.7713 -0.0003 4 20 11 0.2474 0.0000 4 20 12 -0.0979 -0.0010 4 20 13 -0.3391 0.0005 4 20 14 0.4008 0.0000 4 20 15 -0.8994 0.0006 4 21 4 0.8236 -0.0006 4 21 5 -1.9734 0.0003 4 21 6 -4.2790 0.0004 4 21 7 -0.2850 -0.0007 4 21 8 1.4599 -0.0006 4 21 9 -0.7961 0.0004 4 21 10 -1.3113 -0.0003 4 21 11 -2.0205 0.0004 4 21 12 0.2938 -0.0005 4 21 13 -1.8728 0.0001 4 21 14 -1.1789 0.0002 4 22 4 -2.2878 -0.0003 4 22 5 -2.3030 -0.0011 4 22 6 -1.5998 -0.0001 4 22 7 -1.7342 0.0005 4 22 8 0.8269 0.0003 4 22 9 0.0009 -0.0006 4 22 10 -2.4875 -0.0000 4 22 11 0.8382 -0.0006 4 22 12 -0.4568 -0.0003 4 22 13 -2.0136 -0.0008 4 22 14 -0.2628 -0.0000 4 23 4 -0.9489 -0.0008 4 23 5 -0.1465 -0.0003 4 23 6 0.6317 0.0008 4 23 7 -0.8454 0.0003 4 23 8 0.8467 0.0001 4 23 9 -0.0781 0.0000 4 23 10 0.8178 0.0000 4 23 11 -3.7732 0.0004 4 23 12 1.5736 -0.0009 4 23 13 1.1265 0.0011 4 24 4 -0.4862 -0.0005 4 24 5 0.7276 -0.0004 4 24 6 -2.4591 0.0009 4 24 7 -3.0708 0.0008 4 24 8 0.7345 -0.0002 4 24 9 3.5297 0.0001 4 24 10 -0.9091 0.0008 4 24 11 -1.2324 -0.0010 4 24 12 2.3530 -0.0005 4 24 13 -0.4852 -0.0023 4 25 4 4.6988 -0.0000 4 25 5 0.1397 0.0002 4 25 6 1.8112 0.0001 4 25 7 0.6059 0.0010 4 25 8 0.1353 -0.0002 4 25 9 0.5251 -0.0000 4 25 10 2.5798 0.0000 4 25 11 -0.2667 0.0000 4 25 12 -1.3316 0.0008 4 26 4 2.6269 -0.0005 4 26 5 -1.9398 0.0003 4 26 6 2.4812 0.0008 4 26 7 -1.4427 0.0007 4 26 8 -2.6298 -0.0000 4 26 9 2.6042 0.0003 4 26 10 -0.6340 -0.0011 4 26 11 -2.2308 -0.0009 4 26 12 1.0243 -0.0008 4 27 4 -0.5545 -0.0005 4 27 5 -0.7948 0.0004 4 27 6 -2.2831 0.0009 4 27 7 2.3175 0.0001 4 27 8 1.5443 -0.0002 4 27 9 -0.4845 0.0004 4 27 10 2.8458 -0.0004 4 27 11 3.2226 -0.0012 4 28 4 1.6799 0.0001 4 28 5 -2.0291 0.0009 4 28 6 -0.9831 0.0001 4 28 7 -2.2047 -0.0002 4 28 8 -0.5144 0.0001 4 28 9 1.1291 0.0006 4 28 10 2.5608 0.0001 4 29 4 0.7105 0.0003 4 29 5 1.4219 0.0007 4 29 6 -0.6981 0.0014 4 29 7 -1.0622 -0.0000 4 29 8 3.1855 0.0000 4 29 9 -0.4012 -0.0022 4 30 4 0.6084 0.0007 4 30 5 2.0023 0.0002 4 30 6 1.4816 0.0014 4 30 7 1.0004 0.0016 4 30 8 -0.3947 -0.0019 4 31 4 -4.4158 0.0010 4 31 5 -1.8573 -0.0008 4 31 6 -1.3798 0.0006 4 31 7 -2.3647 0.0022 4 32 4 -1.0111 -0.0001 4 32 5 1.8605 0.0016 4 32 6 -0.2758 0.0022 4 33 4 -0.3216 0.0006 4 33 5 -0.3675 0.0016 5 0 5 -8.7754 0.0106 5 0 7 -0.6602 0.0039 5 0 9 7.6213 0.0120 5 0 11 -5.3245 0.0056 5 0 13 6.5023 -0.0029 5 0 15 -4.3316 -0.0041 5 0 17 -1.4806 -0.0016 5 1 5 10.0116 0.0071 5 1 6 -13.8985 -0.0008 5 1 7 -12.7636 0.0020 5 1 8 1.1405 0.0003 5 1 9 -1.3739 0.0008 5 1 10 0.8438 0.0069 5 1 11 1.5430 0.0007 5 1 12 -0.2051 0.0015 5 1 13 -0.8102 -0.0044 5 1 14 -0.3769 -0.0040 5 1 15 1.0183 0.0018 5 1 17 -0.3555 -0.0019 5 1 18 2.2636 -0.0010 5 2 5 -3.7359 0.0010 5 2 6 -5.5507 -0.0026 5 2 7 1.1436 0.0004 5 2 8 -1.7480 -0.0001 5 2 9 1.0035 -0.0001 5 2 10 1.6174 0.0007 5 2 11 1.7657 -0.0024 5 2 12 -0.0919 -0.0003 5 2 13 -1.3556 0.0010 5 2 14 6.9513 -0.0025 5 2 15 -0.0561 -0.0036 5 2 17 1.6579 0.0012 5 2 18 -2.8708 0.0032 5 3 5 8.1908 0.0018 5 3 6 1.6702 -0.0026 5 3 7 -5.0661 0.0008 5 3 8 -0.4406 0.0019 5 3 9 -0.8894 -0.0031 5 3 10 -0.1035 -0.0024 5 3 11 0.1902 0.0003 5 3 12 -2.3095 0.0007 5 3 13 -0.5873 0.0046 5 3 14 1.2477 -0.0038 5 3 15 -1.1430 -0.0007 5 3 17 -2.0867 -0.0008 5 3 18 0.0518 -0.0018 5 4 5 6.9626 -0.0003 5 4 6 -4.4253 0.0029 5 4 7 -3.5578 -0.0019 5 4 8 -4.8072 -0.0012 5 4 9 1.2838 -0.0010 5 4 10 4.2808 -0.0007 5 4 11 -3.2495 0.0001 5 4 12 -3.1894 0.0026 5 4 13 -1.6427 -0.0009 5 4 14 -1.0745 0.0026 5 4 15 -2.4370 -0.0007 5 4 16 1.8779 0.0003 5 4 17 -0.0872 -0.0004 5 4 18 6.3349 0.0029 5 5 5 6.0373 -0.0004 5 5 6 9.7805 0.0015 5 5 7 -3.7244 0.0001 5 5 8 -3.6790 -0.0004 5 5 9 2.0021 -0.0014 5 5 10 -3.0567 -0.0010 5 5 11 3.4909 0.0009 5 5 12 2.9746 0.0001 5 5 13 -2.1816 0.0004 5 5 14 2.2846 -0.0023 5 5 15 -0.9942 -0.0003 5 5 16 -1.9174 0.0002 5 5 17 -1.3402 0.0011 5 6 5 8.7445 0.0013 5 6 6 3.0515 0.0016 5 6 7 1.7578 0.0008 5 6 8 1.9748 0.0018 5 6 9 -3.9886 0.0026 5 6 10 2.7508 -0.0008 5 6 11 3.0522 -0.0010 5 6 12 -1.1327 0.0004 5 6 13 1.2817 0.0004 5 6 14 1.6484 0.0000 5 6 15 -4.8136 -0.0011 5 6 16 2.2443 -0.0027 5 6 17 -2.7506 -0.0006 5 7 5 -2.5709 -0.0010 5 7 6 3.8572 -0.0013 5 7 7 5.1033 -0.0005 5 7 8 -3.5935 0.0003 5 7 9 -0.6580 0.0009 5 7 10 0.6526 0.0021 5 7 11 -2.0724 0.0001 5 7 12 2.7701 -0.0003 5 7 13 -0.4867 0.0012 5 7 14 -4.4360 -0.0019 5 7 15 2.5652 -0.0007 5 7 16 -3.1879 0.0000 5 7 17 -1.9022 -0.0021 5 8 5 -3.3923 -0.0004 5 8 6 6.2614 -0.0004 5 8 7 1.0273 -0.0009 5 8 8 1.0230 -0.0013 5 8 9 -1.7557 0.0003 5 8 10 -0.3074 -0.0008 5 8 11 1.3966 0.0003 5 8 12 -2.6903 0.0017 5 8 13 -3.8118 0.0001 5 8 14 3.4489 0.0007 5 8 15 1.1349 -0.0002 5 8 16 -1.8401 -0.0003 5 8 17 2.6679 0.0006 5 9 5 -7.0972 0.0008 5 9 6 2.8795 -0.0019 5 9 7 1.8380 0.0003 5 9 8 1.3892 0.0012 5 9 9 -0.6627 0.0007 5 9 10 3.3763 0.0002 5 9 11 -1.9846 0.0006 5 9 12 0.9816 0.0005 5 9 13 1.8762 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0.8758 0.0010 7 7 11 3.3702 -0.0005 7 7 12 0.8157 -0.0001 7 7 13 0.9133 0.0004 7 7 14 1.0316 0.0020 7 7 15 -0.0822 -0.0013 7 7 16 -1.8923 -0.0005 7 8 7 -0.2565 -0.0005 7 8 8 -2.0073 0.0011 7 8 9 1.8875 -0.0000 7 8 10 1.1587 0.0003 7 8 11 0.9031 0.0005 7 8 12 2.7307 0.0000 7 8 13 1.5781 -0.0006 7 8 14 0.7565 -0.0003 7 8 15 1.3008 -0.0014 7 8 16 1.0390 0.0030 7 9 7 0.1406 -0.0008 7 9 8 2.4504 0.0003 7 9 9 -1.6167 0.0010 7 9 10 -1.3529 0.0003 7 9 11 0.8332 0.0011 7 9 12 -0.3571 0.0005 7 9 13 0.5641 -0.0015 7 9 14 -1.4204 -0.0004 7 9 15 2.7708 -0.0001 7 9 16 -3.6521 -0.0007 7 10 7 2.8425 -0.0003 7 10 8 2.6772 -0.0007 7 10 9 -2.4777 -0.0002 7 10 10 2.9116 0.0006 7 10 11 -1.3172 0.0006 7 10 12 1.5173 -0.0002 7 10 13 2.1503 -0.0003 7 10 14 -0.6750 -0.0006 7 10 15 0.6583 0.0001 7 11 7 -1.2579 -0.0001 7 11 8 -2.1063 -0.0015 7 11 9 -0.6137 0.0003 7 11 10 -0.2954 0.0003 7 11 11 1.6377 -0.0002 7 11 12 0.0453 -0.0009 7 11 13 0.9632 0.0004 7 11 14 -2.7516 -0.0003 7 11 15 2.9794 0.0014 7 12 7 -2.5265 0.0000 7 12 8 1.7285 0.0000 7 12 9 -0.4573 -0.0006 7 12 10 2.1075 0.0004 7 12 11 -0.9796 -0.0003 7 12 12 2.0755 0.0006 7 12 13 1.9882 0.0008 7 12 14 0.2514 -0.0013 7 12 15 0.7985 0.0015 7 13 7 0.6050 -0.0008 7 13 8 3.2504 0.0003 7 13 9 0.6318 0.0007 7 13 10 -2.2183 -0.0004 7 13 11 -0.6569 0.0007 7 13 12 2.7985 -0.0003 7 13 13 -3.9165 0.0002 7 13 14 0.8793 -0.0016 7 13 15 -2.2612 0.0019 7 14 7 5.6961 0.0001 7 14 8 1.7868 0.0001 7 14 9 -0.2477 0.0007 7 14 10 -1.3002 -0.0002 7 14 11 0.6137 -0.0000 7 14 12 -2.5311 0.0008 7 14 13 0.5517 -0.0005 7 14 14 -0.8312 0.0024 7 15 7 -0.0762 -0.0006 7 15 8 -3.7714 -0.0004 7 15 9 1.8620 0.0000 7 15 10 0.3521 0.0007 7 15 11 -3.2953 -0.0002 7 15 12 -1.4263 0.0000 7 15 13 2.0293 0.0006 7 15 14 -0.2717 0.0003 7 16 7 -2.8956 0.0003 7 16 8 0.3655 0.0006 7 16 9 2.8755 -0.0009 7 16 10 -1.5312 0.0008 7 16 11 0.8985 -0.0002 7 16 12 -0.0782 0.0005 7 16 13 4.7695 0.0006 7 16 14 2.3164 0.0004 7 17 7 -0.9422 0.0008 7 17 8 1.1196 0.0007 7 17 9 -1.3022 0.0006 7 17 10 -0.2947 -0.0005 7 17 11 1.4292 0.0002 7 17 12 -2.0331 -0.0002 7 17 13 -2.2738 -0.0000 7 17 14 -0.6330 0.0008 7 18 7 -2.8435 0.0010 7 18 8 -0.4583 -0.0004 7 18 9 0.8937 -0.0002 7 18 10 0.4150 0.0005 7 18 11 -1.7921 -0.0007 7 18 12 -0.0186 0.0012 7 18 13 0.4889 0.0001 7 19 7 1.3961 -0.0002 7 19 8 -0.2280 -0.0002 7 19 9 0.1615 0.0011 7 19 10 -1.9805 -0.0001 7 19 11 0.3617 -0.0001 7 19 12 -0.4439 -0.0005 7 19 13 -0.9437 -0.0005 7 20 7 0.4013 0.0002 7 20 8 -1.8703 0.0007 7 20 9 2.1399 0.0001 7 20 10 2.1653 -0.0007 7 20 11 1.2563 -0.0003 7 20 12 -5.9156 0.0012 7 21 7 -1.7048 -0.0003 7 21 8 -2.7800 0.0002 7 21 9 2.0735 0.0004 7 21 10 0.7023 -0.0007 7 21 11 -1.6720 0.0011 7 21 12 2.0780 -0.0022 7 22 7 -2.1372 0.0009 7 22 8 -0.6018 -0.0004 7 22 9 -0.5328 -0.0004 7 22 10 1.1396 -0.0006 7 22 11 1.9184 0.0002 7 23 7 -0.6409 0.0000 7 23 8 -1.0282 0.0000 7 23 9 -2.7288 -0.0008 7 23 10 2.6829 -0.0003 7 23 11 -0.4372 0.0000 7 24 7 1.8554 0.0008 7 24 8 -1.3861 0.0004 7 24 9 -1.5298 -0.0003 7 24 10 4.7093 -0.0012 7 25 7 4.1642 -0.0002 7 25 8 1.5982 0.0002 7 25 9 -0.6215 0.0007 7 25 10 -1.6898 0.0002 7 26 7 0.8757 -0.0001 7 26 8 1.0826 -0.0004 7 26 9 -2.0334 -0.0001 7 27 7 0.4537 -0.0000 7 27 8 0.8472 0.0001 7 28 7 -0.7403 0.0016 8 0 8 0.7653 0.0148 8 0 10 -1.7987 -0.0018 8 0 12 -4.0527 -0.0101 8 0 14 -4.1378 -0.0001 8 1 8 3.7806 -0.0021 8 1 9 -2.1930 0.0038 8 1 10 0.4760 -0.0062 8 1 11 2.5973 -0.0088 8 1 12 2.1038 0.0046 8 1 13 0.4314 0.0034 8 1 14 -8.8609 -0.0030 8 1 15 1.3230 -0.0023 8 2 8 -2.1731 -0.0015 8 2 9 0.4285 -0.0006 8 2 10 1.4276 -0.0003 8 2 11 0.2493 -0.0029 8 2 12 -2.5686 -0.0004 8 2 13 -2.0578 0.0013 8 2 14 0.5143 0.0000 8 2 15 0.5448 0.0023 8 3 8 5.2328 0.0005 8 3 9 3.1001 0.0021 8 3 10 2.3312 0.0019 8 3 11 1.0570 -0.0025 8 3 12 0.6870 -0.0004 8 3 13 0.1787 -0.0007 8 3 14 3.1266 -0.0019 8 3 15 -2.4929 -0.0002 8 4 8 1.5330 -0.0000 8 4 9 -0.4201 0.0032 8 4 10 1.0844 -0.0006 8 4 11 0.3524 0.0015 8 4 12 1.0550 -0.0025 8 4 13 -1.0521 0.0006 8 4 14 -4.9668 0.0017 8 4 15 -0.9273 0.0000 8 5 8 -0.4243 0.0000 8 5 9 2.4091 0.0015 8 5 10 -1.8702 0.0002 8 5 11 0.0346 -0.0019 8 5 12 -0.5536 0.0010 8 5 13 -1.8527 -0.0007 8 5 14 -1.8471 0.0000 8 5 15 1.2463 -0.0005 8 6 8 0.3280 0.0012 8 6 9 -1.3585 -0.0016 8 6 10 -3.3403 0.0002 8 6 11 0.2396 -0.0003 8 6 12 -3.4567 -0.0013 8 6 13 1.9700 0.0013 8 6 14 -2.5529 -0.0001 8 6 15 -0.8257 0.0002 8 7 8 -1.4936 0.0011 8 7 9 0.1818 0.0010 8 7 10 1.3217 0.0006 8 7 11 -0.6419 -0.0002 8 7 12 -0.1981 0.0004 8 7 13 -1.4656 0.0007 8 7 14 0.2783 -0.0004 8 7 15 -0.8138 -0.0007 8 8 8 3.4860 0.0004 8 8 9 -0.5037 -0.0000 8 8 10 1.2954 0.0008 8 8 11 -0.0222 0.0006 8 8 12 -0.3765 -0.0017 8 8 13 2.2518 0.0015 8 8 14 2.6136 -0.0010 8 8 15 0.3215 -0.0014 8 9 8 -2.3833 -0.0002 8 9 9 -0.4793 0.0006 8 9 10 0.9696 0.0000 8 9 11 0.9252 -0.0018 8 9 12 1.0323 0.0014 8 9 13 -1.5918 0.0009 8 9 14 -1.3356 -0.0006 8 9 15 -0.8172 0.0011 8 10 8 -1.1937 0.0000 8 10 9 2.1524 -0.0003 8 10 10 -1.6871 -0.0002 8 10 11 0.4691 0.0008 8 10 12 0.5148 -0.0016 8 10 13 -0.5530 0.0008 8 10 14 2.2475 -0.0010 8 10 15 -2.2394 -0.0008 8 11 8 -3.5712 -0.0008 8 11 9 -1.2076 0.0005 8 11 10 -0.0174 -0.0001 8 11 11 1.8722 -0.0002 8 11 12 -0.9698 0.0009 8 11 13 2.1673 -0.0004 8 11 14 0.7529 0.0009 8 12 8 -0.6668 0.0002 8 12 9 2.2131 -0.0009 8 12 10 2.0069 0.0002 8 12 11 0.5774 0.0005 8 12 12 2.2104 0.0002 8 12 13 -1.4376 0.0002 8 12 14 0.0379 0.0022 8 13 8 2.3125 -0.0003 8 13 9 -0.7237 -0.0000 8 13 10 -1.6598 -0.0005 8 13 11 3.5756 -0.0013 8 13 12 -0.1477 -0.0005 8 13 13 -1.2653 -0.0004 8 13 14 0.1180 0.0017 8 14 8 0.2645 0.0005 8 14 9 -3.4483 -0.0008 8 14 10 3.0116 0.0001 8 14 11 -0.4783 -0.0003 8 14 12 -1.3014 -0.0006 8 14 13 0.4343 -0.0008 8 14 14 -1.0109 0.0027 8 15 8 1.4209 -0.0001 8 15 9 0.0081 0.0004 8 15 10 -1.0389 0.0000 8 15 11 -2.8294 -0.0001 8 15 12 0.8652 -0.0005 8 15 13 -2.7602 0.0008 8 16 8 4.6876 -0.0005 8 16 9 0.2067 -0.0001 8 16 10 -1.6324 -0.0001 8 16 11 0.5211 0.0005 8 16 12 2.9665 0.0009 8 16 13 0.9733 -0.0010 8 17 8 1.6018 -0.0002 8 17 9 -0.5557 -0.0008 8 17 10 1.1455 0.0002 8 17 11 -1.2073 0.0001 8 17 12 0.8903 -0.0004 8 17 13 0.4500 0.0002 8 18 8 -0.1916 -0.0006 8 18 9 1.6247 -0.0005 8 18 10 0.1144 -0.0001 8 18 11 -0.2660 0.0010 8 18 12 -0.3780 -0.0004 8 19 8 -0.2685 -0.0008 8 19 9 -2.6113 0.0003 8 19 10 0.3544 -0.0007 8 19 11 1.8849 -0.0004 8 19 12 -0.1333 -0.0004 8 20 8 1.2986 0.0002 8 20 9 -0.5441 -0.0001 8 20 10 1.7879 0.0003 8 20 11 -3.9197 0.0005 8 21 8 2.5160 0.0011 8 21 9 0.2133 -0.0004 8 21 10 -4.1384 -0.0005 8 21 11 -1.5046 0.0010 8 22 8 3.4082 -0.0005 8 22 9 1.2510 -0.0002 8 22 10 -0.5437 0.0004 8 22 11 4.0461 -0.0024 8 23 8 -1.1749 -0.0002 8 23 9 -1.3756 0.0006 8 23 10 -2.3459 0.0010 8 24 8 -0.7702 -0.0008 8 24 9 4.0842 -0.0007 8 25 8 0.9597 -0.0004 8 25 9 3.7041 -0.0016 8 26 8 -2.6864 -0.0022 9 0 9 -3.0803 -0.0101 9 0 11 -8.9934 -0.0049 9 0 13 6.3064 0.0032 9 0 15 0.2381 0.0027 9 1 9 -1.2376 -0.0002 9 1 10 1.5016 -0.0044 9 1 11 1.2832 -0.0012 9 1 12 2.3641 0.0023 9 1 13 -4.2863 -0.0013 9 1 14 1.9515 -0.0042 9 1 15 3.7562 0.0014 9 2 9 -0.5082 -0.0037 9 2 10 -0.8393 -0.0020 9 2 11 -3.2102 0.0016 9 2 12 -2.9666 0.0010 9 2 13 -3.3114 -0.0021 9 2 14 3.6466 0.0012 9 2 15 3.1187 0.0011 9 3 9 2.0729 0.0008 9 3 10 -1.6430 -0.0037 9 3 11 2.3703 0.0027 9 3 12 0.4377 0.0028 9 3 13 3.6482 -0.0045 9 3 14 1.3445 -0.0013 9 3 15 -5.1426 -0.0027 9 4 9 2.0756 -0.0024 9 4 10 1.7369 0.0014 9 4 11 0.7161 -0.0021 9 4 12 -3.1244 0.0001 9 4 13 -1.2481 0.0007 9 4 14 -2.5907 -0.0011 9 5 9 -0.0640 0.0008 9 5 10 0.8878 -0.0016 9 5 11 -0.5551 0.0014 9 5 12 -0.3887 -0.0003 9 5 13 0.1632 -0.0003 9 5 14 4.0747 -0.0006 9 6 9 -2.9717 -0.0012 9 6 10 0.5279 0.0007 9 6 11 -0.6267 0.0008 9 6 12 -0.1165 0.0016 9 6 13 -2.9832 -0.0001 9 6 14 -3.3279 -0.0009 9 7 9 0.9804 0.0002 9 7 10 -0.0719 -0.0009 9 7 11 -1.1836 0.0008 9 7 12 -2.3863 0.0010 9 7 13 -2.3972 -0.0000 9 7 14 -1.6207 -0.0009 9 8 9 1.4284 0.0008 9 8 10 -1.4941 0.0017 9 8 11 -1.8585 -0.0011 9 8 12 2.3039 0.0000 9 8 13 4.9993 0.0005 9 8 14 0.2353 -0.0005 9 9 9 2.5245 0.0014 9 9 10 0.1058 -0.0016 9 9 11 0.0778 0.0003 9 9 12 -1.7594 0.0009 9 9 13 -2.3512 -0.0005 9 9 14 0.4840 -0.0008 9 10 9 -1.7702 -0.0006 9 10 10 -0.0706 -0.0012 9 10 11 -0.0318 0.0006 9 10 12 -2.1263 0.0009 9 10 13 0.6894 -0.0009 9 10 14 2.9137 0.0018 9 11 9 -2.3108 -0.0004 9 11 10 0.9793 -0.0000 9 11 11 0.2843 0.0005 9 11 12 2.6138 0.0014 9 11 13 0.4468 -0.0018 9 12 9 1.7086 0.0003 9 12 10 0.9271 0.0008 9 12 11 -1.9722 0.0005 9 12 12 1.2633 -0.0013 9 12 13 -1.8656 0.0004 9 13 9 -0.7682 -0.0000 9 13 10 0.5589 -0.0003 9 13 11 2.1754 -0.0010 9 13 12 -1.1169 0.0020 9 13 13 -0.3931 -0.0006 9 14 9 -0.2164 -0.0001 9 14 10 1.6033 -0.0002 9 14 11 1.1764 -0.0003 9 14 12 -0.1067 0.0007 9 14 13 0.9081 0.0027 9 15 9 1.1296 -0.0000 9 15 10 -2.6279 -0.0013 9 15 11 0.0944 0.0002 9 15 12 -1.2945 -0.0008 9 16 9 -1.3725 0.0000 9 16 10 -2.0110 -0.0004 9 16 11 -0.6574 0.0005 9 16 12 -0.8972 0.0001 9 17 9 -0.7032 0.0001 9 17 10 -0.1698 -0.0002 9 17 11 2.1012 -0.0007 9 17 12 2.1762 -0.0014 9 18 9 1.2384 -0.0002 9 18 10 0.1858 0.0001 9 18 11 -1.2203 -0.0011 9 19 9 -0.5453 -0.0004 9 19 10 0.9451 0.0000 9 19 11 -1.7396 -0.0016 9 20 9 3.3996 0.0011 9 20 10 1.1682 -0.0010 9 21 9 -2.5127 0.0003 9 21 10 -2.7187 0.0006 9 22 9 -2.1151 -0.0012 9 23 9 -3.0430 0.0001 10 0 10 -8.9450 0.0028 10 0 12 4.0308 -0.0063 10 0 14 -3.5788 0.0039 10 1 10 -0.9269 0.0024 10 1 11 3.7376 0.0005 10 1 12 2.0820 0.0027 10 1 13 0.4625 -0.0037 10 1 14 -0.5970 0.0026 10 2 10 -3.2877 -0.0027 10 2 11 -3.3686 -0.0020 10 2 12 -1.3981 -0.0008 10 2 13 2.3103 0.0012 10 2 14 4.3972 0.0023 10 3 10 0.7858 -0.0011 10 3 11 2.8634 0.0013 10 3 12 1.3870 -0.0021 10 3 13 3.4483 -0.0028 10 3 14 0.5050 -0.0012 10 4 10 3.0424 0.0005 10 4 11 -5.2243 0.0007 10 4 12 -1.5382 -0.0021 10 4 13 -1.0382 -0.0005 10 4 14 -3.9153 0.0010 10 5 10 -1.2746 -0.0010 10 5 11 -0.3168 -0.0000 10 5 12 3.5837 0.0007 10 5 13 2.3175 -0.0011 10 6 10 1.3922 0.0026 10 6 11 1.5787 0.0000 10 6 12 -2.6449 -0.0012 10 6 13 -1.8374 0.0025 10 7 10 1.0400 -0.0005 10 7 11 -2.1043 0.0013 10 7 12 -3.4174 0.0006 10 7 13 -3.0562 -0.0019 10 8 10 -0.8192 0.0015 10 8 11 3.7870 0.0005 10 8 12 2.3094 0.0011 10 8 13 -1.1973 0.0005 10 9 10 -1.2423 -0.0011 10 9 11 -0.2090 0.0004 10 9 12 -1.3227 -0.0001 10 9 13 -1.2816 0.0003 10 10 10 -0.5931 0.0006 10 10 11 -1.6961 0.0004 10 10 12 2.6676 0.0012 10 10 13 2.7488 0.0001 10 11 10 1.7017 0.0011 10 11 11 2.1437 0.0006 10 11 12 -1.0591 -0.0004 10 11 13 4.5621 0.0041 10 12 10 -0.4324 0.0000 10 12 11 -0.3379 -0.0005 10 12 12 -0.3178 -0.0009 10 13 10 -1.4356 -0.0002 10 13 11 1.9469 -0.0003 10 13 12 -0.5683 -0.0016 10 14 10 2.5481 -0.0017 10 14 11 0.1839 0.0022 10 14 12 0.6600 -0.0020 10 15 10 2.6199 0.0004 10 15 11 -0.3961 -0.0008 10 16 10 -2.4550 0.0012 10 16 11 -1.4297 -0.0002 10 17 10 1.7165 0.0002 10 17 11 3.8561 0.0001 10 18 10 -0.2876 -0.0013 10 19 10 -3.3604 0.0003 11 0 11 -2.6611 -0.0114 11 0 13 -2.1491 0.0005 11 1 11 1.5962 -0.0002 11 1 12 -0.0978 -0.0022 11 1 13 -2.0818 0.0030 11 2 11 -0.3326 -0.0017 11 2 12 0.2734 -0.0007 11 2 13 -0.1647 -0.0003 11 3 11 3.0042 0.0013 11 3 12 0.9812 -0.0028 11 3 13 3.3754 0.0006 11 4 11 -2.8189 0.0002 11 4 12 1.5251 -0.0014 11 4 13 0.3594 -0.0001 11 5 11 2.5661 0.0004 11 5 12 3.8548 -0.0027 11 6 11 -1.6060 -0.0009 11 6 12 -1.1600 0.0019 11 7 11 -4.1190 -0.0001 11 7 12 -0.2702 0.0016 11 8 11 -0.4489 0.0014 11 8 12 -3.3778 -0.0008 11 9 11 -6.0888 -0.0004 11 9 12 -2.2594 0.0028 11 10 11 3.9554 0.0010 11 10 12 -0.9303 -0.0018 11 11 11 -0.4553 0.0009 11 12 11 -2.4284 0.0023 11 13 11 1.7503 -0.0002 11 14 11 0.4386 -0.0024 12 0 12 -0.2582 -0.0040 12 1 12 -1.7748 0.0029 12 2 12 -1.2245 -0.0022 0 0 0 0.0 0.0 ; _shelx_fab_checksum 89676 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group N1 N 0.41565(15) 0.49396(7) 0.74710(13) 0.0396(6) Uani 1 1 d . . . . . B1 B 0.4651(2) 0.45361(11) 0.76415(19) 0.0390(9) Uani 1 1 d . . . . . C1 C 0.2348(2) 0.43481(12) 0.94336(18) 0.0535(9) Uani 1 1 d . . . . . H1 H 0.222649 0.415643 0.977798 0.064 Uiso 1 1 calc R U . . . N2 N 0.43711(14) 0.42873(7) 0.81651(12) 0.0372(6) Uani 1 1 d . . . . . B2 B 0.9390(2) 0.33214(11) 0.6597(2) 0.0480(10) Uani 1 1 d . . . . . C2 C 0.1898(2) 0.47282(13) 0.92092(19) 0.0573(9) Uani 1 1 d . . . . . H2 H 0.146564 0.479254 0.939225 0.069 Uiso 1 1 calc R U . . . C3 C 0.20659(19) 0.50278(11) 0.87074(18) 0.0471(8) Uani 1 1 d . . . . . N3 N 0.52648(15) 0.44028(8) 0.73423(13) 0.0420(6) Uani 1 1 d . . . . . C4 C 0.1638(2) 0.54287(11) 0.84206(19) 0.0549(9) Uani 1 1 d . . . . . H4 H 0.119465 0.552175 0.857047 0.066 Uiso 1 1 calc R U . . . N4 N 0.62532(16) 0.39162(8) 0.59029(15) 0.0506(7) Uani 1 1 d . . . . . C5 C 0.1866(2) 0.56793(11) 0.79292(19) 0.0539(9) Uani 1 1 d . . . . . H5 H 0.156808 0.594477 0.773946 0.065 Uiso 1 1 calc R U . . . N5 N 0.77338(17) 0.45466(9) 0.75366(16) 0.0569(7) Uani 1 1 d . . . . . N6 N 0.87691(16) 0.35846(8) 0.67352(16) 0.0508(7) Uani 1 1 d . . . . . C6 C 0.25284(19) 0.55628(10) 0.76863(17) 0.0448(8) Uani 1 1 d . . . . . H6 H 0.267796 0.574598 0.734790 0.054 Uiso 1 1 calc R U . . . N7 N 0.97912(15) 0.34037(8) 0.60590(15) 0.0456(7) Uani 1 1 d . . . . . C7 C 0.29454(18) 0.51720(10) 0.79633(16) 0.0397(7) Uani 1 1 d . . . . . C8 C 0.26917(18) 0.49136(10) 0.84627(16) 0.0398(7) Uani 1 1 d . . . . . N8 N 0.97584(16) 0.29115(8) 0.69907(16) 0.0536(7) Uani 1 1 d . . . . . C9 C 0.31718(18) 0.45173(10) 0.86812(16) 0.0407(8) Uani 1 1 d . . . . . C00P C 0.2985(2) 0.42311(10) 0.91720(17) 0.0476(8) Uani 1 1 d . . . . . H00P H 0.328189 0.396165 0.932756 0.057 Uiso 1 1 calc R U . . . C10 C 0.37456(18) 0.45373(10) 0.82756(16) 0.0398(7) Uani 1 1 d . . . . . C11 C 0.36251(18) 0.49183(9) 0.78667(16) 0.0381(7) Uani 1 1 d . . . . . C12 C 0.42277(18) 0.53520(9) 0.71000(17) 0.0396(7) Uani 1 1 d . . . . . C13 C 0.47195(19) 0.56925(10) 0.75516(17) 0.0422(8) Uani 1 1 d . . . . . C15 C 0.4378(2) 0.61406(11) 0.6433(2) 0.0562(9) Uani 1 1 d . . . . . H15 H 0.442955 0.641317 0.620299 0.067 Uiso 1 1 calc R U . . . C14 C 0.4787(2) 0.60803(10) 0.7194(2) 0.0520(9) Uani 1 1 d . . . . . H14 H 0.512636 0.631214 0.748375 0.062 Uiso 1 1 calc R U . . . C16 C 0.3889(2) 0.58048(11) 0.59985(19) 0.0538(9) Uani 1 1 d . . . . . H16 H 0.361494 0.584706 0.546922 0.065 Uiso 1 1 calc R U . . . C17 C 0.3794(2) 0.54012(10) 0.63315(18) 0.0470(8) Uani 1 1 d . . . . . C019 C 1.0864(2) 0.41591(11) 0.65494(19) 0.0584(10) Uani 1 1 d . . . . . H019 H 1.096010 0.385677 0.678093 0.070 Uiso 1 1 calc R U . . . C19 C 0.3576(2) 0.48923(14) 0.5238(2) 0.0865(14) Uani 1 1 d . . . . . H19A H 0.322143 0.465615 0.493368 0.130 Uiso 1 1 calc R U . . . H19B H 0.414323 0.478067 0.548090 0.130 Uiso 1 1 calc R U . . . H19C H 0.357697 0.514318 0.490956 0.130 Uiso 1 1 calc R U . . . C18 C 0.3244(2) 0.50430(11) 0.58434(19) 0.0586(10) Uani 1 1 d . . . . . H18 H 0.325611 0.478330 0.617518 0.070 Uiso 1 1 calc R U . . . C20 C 0.2346(2) 0.52060(12) 0.5496(2) 0.0646(10) Uani 1 1 d . . . . . H20A H 0.232164 0.546562 0.517748 0.097 Uiso 1 1 calc R U . . . H20B H 0.214542 0.528683 0.590089 0.097 Uiso 1 1 calc R U . . . H20C H 0.199670 0.496993 0.518621 0.097 Uiso 1 1 calc R U . . . C21 C 0.5197(2) 0.56313(11) 0.83909(18) 0.0520(9) Uani 1 1 d . . . . . H21 H 0.498640 0.535516 0.855202 0.062 Uiso 1 1 calc R U . . . C22 C 0.6118(2) 0.55631(13) 0.8539(2) 0.0728(11) Uani 1 1 d . . . . . H22A H 0.619050 0.529582 0.827501 0.109 Uiso 1 1 calc R U . . . H22B H 0.642213 0.552960 0.908387 0.109 Uiso 1 1 calc R U . . . H22C H 0.633345 0.582015 0.835168 0.109 Uiso 1 1 calc R U . . . C24 C 0.46398(18) 0.38803(9) 0.85942(16) 0.0388(7) Uani 1 1 d . . . . . C23 C 0.5061(2) 0.60132(11) 0.8862(2) 0.0640(10) Uani 1 1 d . . . . . H23A H 0.528529 0.628698 0.873327 0.096 Uiso 1 1 calc R U . . . H23B H 0.534601 0.594843 0.940169 0.096 Uiso 1 1 calc R U . . . H23C H 0.446617 0.604942 0.875465 0.096 Uiso 1 1 calc R U . . . C025 C 0.8929(2) 0.23848(12) 0.7382(3) 0.0732(12) Uani 1 1 d . . . . . C25 C 0.53996(19) 0.38802(9) 0.92033(16) 0.0426(8) Uani 1 1 d . . . . . C26 C 0.5608(2) 0.34982(11) 0.96398(18) 0.0546(9) Uani 1 1 d . . . . . H26 H 0.611785 0.348561 1.005845 0.065 Uiso 1 1 calc R U . . . C27 C 0.5084(2) 0.31363(11) 0.9474(2) 0.0628(10) Uani 1 1 d . . . . . H27 H 0.522605 0.288299 0.979319 0.075 Uiso 1 1 calc R U . . . C28 C 0.4362(2) 0.31385(11) 0.88553(19) 0.0590(10) Uani 1 1 d . . . . . H28 H 0.402011 0.288230 0.873630 0.071 Uiso 1 1 calc R U . . . C29 C 0.4126(2) 0.35133(10) 0.83986(17) 0.0462(8) Uani 1 1 d . . . . . C30 C 0.3352(2) 0.35036(11) 0.76874(19) 0.0601(10) Uani 1 1 d . . . . . H30 H 0.317317 0.381713 0.755166 0.072 Uiso 1 1 calc R U . . . C31 C 0.3540(3) 0.33071(18) 0.7038(2) 0.1085(17) Uani 1 1 d . . . . . H31A H 0.304332 0.332075 0.657708 0.163 Uiso 1 1 calc R U . . . H31B H 0.371111 0.299763 0.715196 0.163 Uiso 1 1 calc R U . . . H31C H 0.398949 0.347488 0.696193 0.163 Uiso 1 1 calc R U . . . C32 C 0.2630(2) 0.32578(13) 0.7784(2) 0.0786(12) Uani 1 1 d . . . . . H32A H 0.212624 0.330978 0.734046 0.118 Uiso 1 1 calc R U . . . H32B H 0.254634 0.336533 0.823959 0.118 Uiso 1 1 calc R U . . . H32C H 0.275196 0.293982 0.783445 0.118 Uiso 1 1 calc R U . . . C33 C 0.59799(19) 0.42777(10) 0.93785(18) 0.0491(8) Uani 1 1 d . . . . . H33 H 0.591907 0.442051 0.888467 0.059 Uiso 1 1 calc R U . . . C34 C 0.6889(2) 0.41619(13) 0.9770(2) 0.0695(11) Uani 1 1 d . . . . . H34A H 0.703983 0.392673 0.948715 0.104 Uiso 1 1 calc R U . . . H34B H 0.698453 0.405928 1.028598 0.104 Uiso 1 1 calc R U . . . H34C H 0.722870 0.442477 0.979049 0.104 Uiso 1 1 calc R U . . . C35 C 0.5725(2) 0.46211(11) 0.98498(19) 0.0608(10) Uani 1 1 d . . . . . H35A H 0.606819 0.488704 0.991098 0.091 Uiso 1 1 calc R U . . . H35B H 0.580295 0.449658 1.034892 0.091 Uiso 1 1 calc R U . . . H35C H 0.513967 0.469938 0.959085 0.091 Uiso 1 1 calc R U . . . C36 C 0.5586(2) 0.39743(10) 0.74368(17) 0.0457(8) Uani 1 1 d . . . . . H36 H 0.538111 0.376818 0.770572 0.055 Uiso 1 1 calc R U . . . C37 C 0.6161(2) 0.38357(10) 0.71753(18) 0.0497(9) Uani 1 1 d . . . . . H37 H 0.636671 0.354290 0.730038 0.060 Uiso 1 1 calc R U . . . C38 C 0.6509(2) 0.41065(10) 0.66981(18) 0.0480(8) Uani 1 1 d . . . . . C39 C 0.61396(19) 0.45666(10) 0.66316(17) 0.0468(8) Uani 1 1 d . . . . . H39 H 0.632123 0.478350 0.636235 0.056 Uiso 1 1 calc R U . . . C40 C 0.55890(19) 0.46856(10) 0.69185(17) 0.0449(8) Uani 1 1 d . . . . . H40 H 0.539185 0.498200 0.683805 0.054 Uiso 1 1 calc R U . . . C41 C 0.6477(2) 0.34559(11) 0.5864(2) 0.0625(10) Uani 1 1 d . . . . . H41A H 0.635998 0.337385 0.533471 0.094 Uiso 1 1 calc R U . . . H41B H 0.615285 0.326725 0.607546 0.094 Uiso 1 1 calc R U . . . H41C H 0.706977 0.341577 0.615583 0.094 Uiso 1 1 calc R U . . . C42 C 0.5357(2) 0.39542(12) 0.5494(2) 0.0654(10) Uani 1 1 d . . . . . H42A H 0.519904 0.426773 0.543840 0.098 Uiso 1 1 calc R U . . . H42B H 0.506227 0.380163 0.577895 0.098 Uiso 1 1 calc R U . . . H42C H 0.521061 0.381886 0.499252 0.098 Uiso 1 1 calc R U . . . C43 C 0.7504(2) 0.41415(10) 0.70316(18) 0.0500(8) Uani 1 1 d . . . . . C44 C 0.7546(2) 0.45208(13) 0.8235(2) 0.0672(10) Uani 1 1 d . . . . . H44A H 0.697001 0.442451 0.811009 0.101 Uiso 1 1 calc R U . . . H44B H 0.762170 0.481324 0.847516 0.101 Uiso 1 1 calc R U . . . H44C H 0.792003 0.430760 0.858337 0.101 Uiso 1 1 calc R U . . . C46 C 0.78230(19) 0.42047(10) 0.64027(18) 0.0485(8) Uani 1 1 d . . . . . H46 H 0.759450 0.444135 0.605986 0.058 Uiso 1 1 calc R U . . . C47 C 0.7911(2) 0.37373(11) 0.74685(19) 0.0556(9) Uani 1 1 d . . . . . H47 H 0.773848 0.364010 0.786546 0.067 Uiso 1 1 calc R U . . . C48 C 0.8620(2) 0.46635(13) 0.7745(2) 0.0777(12) Uani 1 1 d . . . . . H48A H 0.873624 0.472611 0.728494 0.116 Uiso 1 1 calc R U . . . H48B H 0.896554 0.441546 0.801703 0.116 Uiso 1 1 calc R U . . . H48C H 0.874559 0.492639 0.807060 0.116 Uiso 1 1 calc R U . . . C49 C 0.8395(2) 0.39596(10) 0.62841(18) 0.0471(8) Uani 1 1 d . . . . . H49 H 0.856695 0.403682 0.587687 0.057 Uiso 1 1 calc R U . . . C50 C 0.8501(2) 0.35059(11) 0.7335(2) 0.0564(9) Uani 1 1 d . . . . . H50 H 0.875617 0.327088 0.767275 0.068 Uiso 1 1 calc R U . . . C51 C 0.97431(18) 0.37486(9) 0.55106(17) 0.0396(7) Uani 1 1 d . . . . . C52 C 0.9206(2) 0.36916(11) 0.4770(2) 0.0596(10) Uani 1 1 d . . . . . C53 C 0.9205(3) 0.40159(14) 0.4249(2) 0.0714(12) Uani 1 1 d . . . . . H53 H 0.883737 0.398703 0.373822 0.086 Uiso 1 1 calc R U . . . C54 C 0.9717(3) 0.43741(14) 0.4451(2) 0.0728(11) Uani 1 1 d . . . . . H54 H 0.970778 0.459010 0.408348 0.087 Uiso 1 1 calc R U . . . C55 C 1.0248(2) 0.44224(12) 0.5190(2) 0.0679(11) Uani 1 1 d . . . . . H55 H 1.060538 0.467253 0.532963 0.081 Uiso 1 1 calc R U . . . C56 C 1.02686(19) 0.41075(10) 0.57383(17) 0.0456(8) Uani 1 1 d . . . . . C58 C 1.0511(3) 0.44369(14) 0.7011(2) 0.0805(12) Uani 1 1 d . . . . . H58A H 1.040415 0.473632 0.679722 0.121 Uiso 1 1 calc R U . . . H58B H 1.090712 0.445186 0.753341 0.121 Uiso 1 1 calc R U . . . H58C H 0.999079 0.430522 0.700493 0.121 Uiso 1 1 calc R U . . . C59 C 1.1703(2) 0.43391(14) 0.6605(2) 0.0857(13) Uani 1 1 d . . . . . H59A H 1.191600 0.416554 0.627674 0.129 Uiso 1 1 calc R U . . . H59B H 1.209036 0.431845 0.712978 0.129 Uiso 1 1 calc R U . . . H59C H 1.164451 0.464965 0.644292 0.129 Uiso 1 1 calc R U . . . C60 C 0.8628(3) 0.32927(12) 0.4527(3) 0.0999(17) Uani 1 1 d . . . . . H60 H 0.876805 0.308467 0.496672 0.120 Uiso 1 1 calc R U . . . C61 C 0.7721(3) 0.34270(13) 0.4310(3) 0.0941(15) Uani 1 1 d . . . . . H61A H 0.758122 0.365024 0.390721 0.141 Uiso 1 1 calc R U . . . H61B H 0.763213 0.355078 0.475308 0.141 Uiso 1 1 calc R U . . . H61C H 0.736606 0.316636 0.412920 0.141 Uiso 1 1 calc R U . . . C62 C 0.8757(3) 0.30482(19) 0.3873(4) 0.183(4) Uani 1 1 d . . . . . H62A H 0.836879 0.279900 0.371603 0.275 Uiso 1 1 calc R U . . . H62B H 0.932749 0.293702 0.403776 0.275 Uiso 1 1 calc R U . . . H62C H 0.865753 0.325167 0.344616 0.275 Uiso 1 1 calc R U . . . C63 C 0.9619(2) 0.26485(11) 0.7575(2) 0.0620(10) Uani 1 1 d . . . . . C64 C 1.0213(3) 0.26765(12) 0.8319(2) 0.0700(11) Uani 1 1 d . . . . . C65 C 1.0078(3) 0.24139(15) 0.8871(3) 0.0878(14) Uani 1 1 d . . . . . H65 H 1.045735 0.242604 0.937935 0.105 Uiso 1 1 calc R U . . . C66 C 0.9409(4) 0.21415(16) 0.8687(4) 0.1014(17) Uani 1 1 d . . . . . H66 H 0.934282 0.195805 0.906903 0.122 Uiso 1 1 calc R U . . . C67 C 0.8825(3) 0.21223(13) 0.7965(4) 0.0911(15) Uani 1 1 d . . . . . H67 H 0.835431 0.193497 0.785747 0.109 Uiso 1 1 calc R U . . . C69 C 0.8301(2) 0.23713(12) 0.6588(3) 0.0811(13) Uani 1 1 d . . . . . H69 H 0.832449 0.266863 0.636347 0.097 Uiso 1 1 calc R U . . . C70 C 0.8542(3) 0.20397(16) 0.6106(3) 0.1137(18) Uani 1 1 d . . . . . H70A H 0.819929 0.208570 0.557168 0.171 Uiso 1 1 calc R U . . . H70B H 0.845568 0.173870 0.625678 0.171 Uiso 1 1 calc R U . . . H70C H 0.912822 0.207960 0.617616 0.171 Uiso 1 1 calc R U . . . C71 C 0.7398(3) 0.23075(16) 0.6522(3) 0.1165(19) Uani 1 1 d . . . . . H71A H 0.703308 0.232899 0.598965 0.175 Uiso 1 1 calc R U . . . H71B H 0.724907 0.253746 0.681590 0.175 Uiso 1 1 calc R U . . . H71C H 0.733471 0.201504 0.671989 0.175 Uiso 1 1 calc R U . . . C72 C 1.0935(2) 0.29900(14) 0.8522(2) 0.0747(11) Uani 1 1 d . . . . . H72 H 1.110673 0.300024 0.807144 0.090 Uiso 1 1 calc R U . . . C73 C 1.1679(3) 0.2842(2) 0.9169(3) 0.130(2) Uani 1 1 d . . . . . H73A H 1.182053 0.253789 0.907799 0.195 Uiso 1 1 calc R U . . . H73B H 1.156018 0.285151 0.963668 0.195 Uiso 1 1 calc R U . . . H73C H 1.214701 0.303821 0.921657 0.195 Uiso 1 1 calc R U . . . C74 C 1.0664(3) 0.34610(16) 0.8623(3) 0.1194(18) Uani 1 1 d . . . . . H74A H 1.110820 0.366950 0.864952 0.179 Uiso 1 1 calc R U . . . H74B H 1.054788 0.347784 0.909228 0.179 Uiso 1 1 calc R U . . . H74C H 1.016191 0.353737 0.819216 0.179 Uiso 1 1 calc R U . . . C75 C 1.03652(19) 0.30601(10) 0.61394(18) 0.0449(8) Uani 1 1 d . . . . . C76 C 1.0342(2) 0.27726(10) 0.6685(2) 0.0504(9) Uani 1 1 d . . . . . C77 C 1.09502(19) 0.24235(10) 0.6765(2) 0.0496(9) Uani 1 1 d . . . . . C78 C 1.1216(2) 0.20484(10) 0.7202(2) 0.0593(10) Uani 1 1 d . . . . . H78 H 1.098529 0.196342 0.756751 0.071 Uiso 1 1 calc R U . . . C79 C 1.1854(2) 0.17931(11) 0.7081(2) 0.0651(11) Uani 1 1 d . . . . . H79 H 1.203686 0.153100 0.737184 0.078 Uiso 1 1 calc R U . . . C80 C 1.2212(2) 0.19020(12) 0.6581(2) 0.0659(11) Uani 1 1 d . . . . . H80 H 1.264161 0.172238 0.653166 0.079 Uiso 1 1 calc R U . . . C81 C 1.1943(2) 0.22889(11) 0.6123(2) 0.0535(9) Uani 1 1 d . . . . . C82 C 1.13183(19) 0.25286(10) 0.62290(19) 0.0459(8) Uani 1 1 d . . . . . C83 C 1.2242(2) 0.24491(14) 0.5570(2) 0.0701(11) Uani 1 1 d . . . . . H83 H 1.266942 0.229286 0.547132 0.084 Uiso 1 1 calc R U . . . C84 C 1.1916(2) 0.28347(13) 0.5167(2) 0.0683(10) Uani 1 1 d . . . . . H84 H 1.212618 0.293622 0.479550 0.082 Uiso 1 1 calc R U . . . C85 C 1.1283(2) 0.30778(11) 0.52963(19) 0.0551(9) Uani 1 1 d . . . . . H85 H 1.107413 0.334197 0.502061 0.066 Uiso 1 1 calc R U . . . C86 C 1.09715(19) 0.29289(10) 0.58240(19) 0.0460(8) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 N1 0.0462(15) 0.0282(14) 0.0379(15) 0.0007(11) 0.0074(13) 0.0035(11) B1 0.044(2) 0.034(2) 0.032(2) -0.0023(15) 0.0048(17) -0.0004(16) C1 0.058(2) 0.061(2) 0.041(2) -0.0088(17) 0.0171(18) -0.0118(19) N2 0.0433(15) 0.0295(13) 0.0313(14) 0.0010(10) 0.0045(12) 0.0028(11) B2 0.047(2) 0.028(2) 0.063(3) 0.0080(17) 0.013(2) 0.0021(17) C2 0.052(2) 0.072(3) 0.046(2) -0.0138(19) 0.0156(18) -0.003(2) C3 0.0403(19) 0.051(2) 0.041(2) -0.0100(16) 0.0035(16) -0.0079(16) N3 0.0514(16) 0.0336(15) 0.0368(15) 0.0059(11) 0.0110(13) 0.0064(12) C4 0.049(2) 0.057(2) 0.053(2) -0.0140(18) 0.0115(18) 0.0050(18) N4 0.0501(18) 0.0463(17) 0.0489(17) -0.0027(13) 0.0102(14) 0.0098(13) C5 0.052(2) 0.047(2) 0.050(2) -0.0082(17) 0.0022(18) 0.0103(17) N5 0.0556(19) 0.0512(18) 0.0595(19) -0.0062(14) 0.0154(16) -0.0001(14) N6 0.0480(16) 0.0342(15) 0.069(2) 0.0157(13) 0.0195(15) 0.0110(13) C6 0.049(2) 0.0386(19) 0.0379(19) -0.0026(14) 0.0057(16) 0.0039(15) N7 0.0427(15) 0.0295(14) 0.0561(17) 0.0062(12) 0.0077(14) 0.0030(12) C7 0.0378(17) 0.0383(18) 0.0344(18) -0.0103(14) 0.0027(15) -0.0022(14) C8 0.0420(19) 0.0378(18) 0.0345(18) -0.0081(14) 0.0079(16) -0.0041(15) N8 0.0471(17) 0.0386(16) 0.072(2) 0.0179(14) 0.0182(16) 0.0061(13) C9 0.0457(19) 0.0365(18) 0.0312(17) -0.0078(14) 0.0032(15) -0.0066(15) C00P 0.057(2) 0.0420(19) 0.0337(18) -0.0036(14) 0.0037(17) -0.0066(16) C10 0.0422(18) 0.0370(18) 0.0330(17) -0.0045(14) 0.0051(15) -0.0036(15) C11 0.0434(18) 0.0299(17) 0.0346(17) -0.0033(13) 0.0062(16) -0.0006(14) C12 0.0422(18) 0.0333(17) 0.0397(19) 0.0052(14) 0.0104(15) 0.0039(14) C13 0.0463(19) 0.0344(18) 0.0410(19) 0.0027(14) 0.0099(16) 0.0055(15) C15 0.061(2) 0.042(2) 0.066(3) 0.0145(18) 0.022(2) 0.0024(17) C14 0.057(2) 0.0365(19) 0.058(2) 0.0054(16) 0.0157(19) -0.0041(16) C16 0.063(2) 0.047(2) 0.046(2) 0.0114(16) 0.0126(18) 0.0082(18) C17 0.055(2) 0.0373(19) 0.041(2) 0.0026(15) 0.0083(17) 0.0063(15) C019 0.070(2) 0.0320(18) 0.055(2) 0.0002(16) -0.001(2) -0.0053(17) C19 0.080(3) 0.091(3) 0.064(3) -0.030(2) -0.004(2) 0.029(2) C18 0.074(3) 0.040(2) 0.045(2) 0.0030(15) 0.0017(19) 0.0045(18) C20 0.062(2) 0.063(2) 0.057(2) 0.0000(18) 0.0075(19) -0.0057(19) C21 0.055(2) 0.0413(19) 0.051(2) -0.0033(15) 0.0077(18) -0.0055(16) C22 0.061(3) 0.090(3) 0.051(2) -0.015(2) -0.0006(19) 0.007(2) C24 0.0471(19) 0.0302(17) 0.0311(17) 0.0028(13) 0.0043(15) 0.0050(14) C23 0.078(3) 0.054(2) 0.058(2) -0.0135(18) 0.022(2) -0.0108(19) C025 0.059(3) 0.050(2) 0.112(4) 0.029(2) 0.034(3) 0.013(2) C25 0.054(2) 0.0347(18) 0.0292(17) -0.0020(13) 0.0032(16) 0.0063(15) C26 0.058(2) 0.051(2) 0.037(2) 0.0030(16) -0.0049(16) 0.0077(18) C27 0.078(3) 0.041(2) 0.055(2) 0.0169(17) 0.007(2) 0.0117(19) C28 0.067(2) 0.0346(19) 0.059(2) 0.0059(16) 0.003(2) 0.0002(17) C29 0.057(2) 0.0298(17) 0.043(2) 0.0000(14) 0.0070(17) 0.0029(15) C30 0.057(2) 0.044(2) 0.054(2) 0.0030(17) -0.0102(19) -0.0075(17) C31 0.076(3) 0.180(5) 0.046(3) -0.026(3) -0.006(2) -0.030(3) C32 0.064(3) 0.079(3) 0.075(3) -0.013(2) 0.004(2) -0.011(2) C33 0.050(2) 0.050(2) 0.0354(19) -0.0005(15) 0.0011(16) 0.0002(16) C34 0.058(2) 0.080(3) 0.057(2) -0.0054(19) 0.0037(19) -0.005(2) C35 0.068(2) 0.053(2) 0.049(2) -0.0125(17) 0.0064(19) -0.0106(18) C36 0.057(2) 0.0349(18) 0.0421(19) 0.0050(14) 0.0138(17) 0.0078(16) C37 0.056(2) 0.0359(19) 0.052(2) 0.0099(15) 0.0130(18) 0.0091(16) C38 0.055(2) 0.0416(19) 0.046(2) 0.0027(15) 0.0163(17) 0.0095(16) C39 0.054(2) 0.0374(19) 0.048(2) 0.0065(14) 0.0169(18) 0.0087(16) C40 0.052(2) 0.0384(19) 0.0426(19) 0.0042(15) 0.0142(17) 0.0081(16) C41 0.069(2) 0.050(2) 0.071(3) -0.0015(18) 0.029(2) 0.0081(19) C42 0.064(3) 0.071(3) 0.057(2) -0.0075(19) 0.017(2) 0.004(2) C43 0.054(2) 0.044(2) 0.049(2) 0.0104(16) 0.0146(18) 0.0107(16) C44 0.064(2) 0.076(3) 0.059(3) -0.0083(19) 0.019(2) 0.004(2) C46 0.049(2) 0.0378(19) 0.053(2) 0.0096(15) 0.0112(17) 0.0137(16) C47 0.056(2) 0.053(2) 0.054(2) 0.0133(17) 0.0156(19) 0.0089(18) C48 0.068(3) 0.075(3) 0.082(3) -0.014(2) 0.017(2) -0.005(2) C49 0.052(2) 0.0343(18) 0.049(2) 0.0075(15) 0.0100(17) 0.0007(16) C50 0.055(2) 0.046(2) 0.064(2) 0.0197(17) 0.018(2) 0.0115(18) C51 0.0425(18) 0.0258(16) 0.0430(19) 0.0029(14) 0.0063(16) 0.0030(14) C52 0.063(2) 0.040(2) 0.053(2) -0.0088(17) -0.0061(19) 0.0104(17) C53 0.085(3) 0.070(3) 0.036(2) -0.003(2) -0.005(2) 0.026(2) C54 0.089(3) 0.073(3) 0.053(3) 0.022(2) 0.022(2) 0.010(2) C55 0.072(3) 0.053(2) 0.066(3) 0.0160(19) 0.010(2) -0.0072(19) C56 0.0452(19) 0.0357(18) 0.045(2) 0.0094(15) 0.0029(16) 0.0005(15) C58 0.074(3) 0.104(3) 0.050(2) -0.009(2) 0.006(2) -0.014(2) C59 0.058(3) 0.076(3) 0.098(3) -0.024(2) -0.002(2) -0.004(2) C60 0.097(3) 0.037(2) 0.102(3) -0.018(2) -0.040(3) 0.007(2) C61 0.087(3) 0.062(3) 0.100(3) -0.025(2) -0.006(3) -0.014(2) C62 0.100(4) 0.127(5) 0.236(7) -0.136(5) -0.045(4) 0.049(4) C63 0.055(2) 0.039(2) 0.101(3) 0.023(2) 0.038(2) 0.0083(18) C64 0.077(3) 0.053(2) 0.079(3) 0.028(2) 0.026(3) 0.026(2) C65 0.099(4) 0.067(3) 0.107(4) 0.037(3) 0.049(3) 0.026(3) C66 0.116(4) 0.071(3) 0.133(5) 0.054(3) 0.064(4) 0.036(3) C67 0.084(3) 0.053(3) 0.157(5) 0.030(3) 0.068(4) 0.011(2) C69 0.063(3) 0.041(2) 0.143(4) 0.004(2) 0.042(3) -0.0021(19) C70 0.061(3) 0.097(4) 0.158(5) -0.012(3) 0.010(3) 0.009(3) C71 0.063(3) 0.091(4) 0.192(6) 0.013(3) 0.042(3) -0.004(3) C72 0.061(3) 0.080(3) 0.073(3) 0.020(2) 0.012(2) 0.005(2) C73 0.083(3) 0.179(6) 0.112(4) 0.060(4) 0.015(3) 0.030(4) C74 0.095(4) 0.093(4) 0.147(5) -0.030(3) 0.015(3) 0.012(3) C75 0.0391(18) 0.0282(17) 0.059(2) 0.0007(15) 0.0072(17) 0.0001(14) C76 0.043(2) 0.0320(18) 0.071(2) 0.0057(17) 0.0138(18) 0.0019(15) C77 0.0380(18) 0.0276(18) 0.069(2) -0.0027(16) 0.0017(18) 0.0021(14) C78 0.050(2) 0.038(2) 0.077(3) 0.0057(18) 0.0072(19) 0.0079(17) C79 0.064(3) 0.037(2) 0.072(3) 0.0024(18) -0.004(2) 0.0142(18) C80 0.060(2) 0.050(2) 0.068(3) -0.015(2) -0.002(2) 0.0118(19) C81 0.051(2) 0.048(2) 0.046(2) -0.0150(17) -0.0011(18) 0.0022(17) C82 0.0422(19) 0.0308(18) 0.051(2) -0.0094(15) -0.0002(17) 0.0015(15) C83 0.065(3) 0.081(3) 0.055(3) -0.018(2) 0.011(2) 0.020(2) C84 0.067(3) 0.072(3) 0.064(3) -0.004(2) 0.021(2) 0.013(2) C85 0.056(2) 0.051(2) 0.049(2) -0.0110(17) 0.0077(19) 0.0015(18) C86 0.0411(19) 0.0356(19) 0.051(2) -0.0061(15) 0.0046(17) -0.0026(15) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag B1 N1 C12 132.6(3) . . ? C11 N1 B1 107.1(2) . . ? C11 N1 C12 119.4(2) . . ? N1 B1 N2 105.6(3) . . ? N3 B1 N1 127.5(3) . . ? N3 B1 N2 126.9(3) . . ? C2 C1 H1 118.9 . . ? C2 C1 C00P 122.2(3) . . ? C00P C1 H1 118.9 . . ? C10 N2 B1 106.8(2) . . ? C10 N2 C24 118.8(2) . . ? C24 N2 B1 134.2(2) . . ? N6 B2 N7 127.9(3) . . ? N6 B2 N8 126.2(3) . . ? N7 B2 N8 105.8(3) . . ? C1 C2 H2 119.5 . . ? C1 C2 C3 120.9(3) . . ? C3 C2 H2 119.5 . . ? C4 C3 C2 126.6(3) . . ? C8 C3 C2 116.5(3) . . ? C8 C3 C4 116.9(3) . . ? C36 N3 B1 122.0(3) . . ? C36 N3 C40 114.2(3) . . ? C40 N3 B1 123.8(2) . . ? C3 C4 H4 120.2 . . ? C5 C4 C3 119.6(3) . . ? C5 C4 H4 120.2 . . ? C41 N4 C38 115.1(2) . . ? C41 N4 C42 107.4(3) . . ? C42 N4 C38 111.6(2) . . ? C4 C5 H5 118.4 . . ? C4 C5 C6 123.2(3) . . ? C6 C5 H5 118.4 . . ? C44 N5 C43 115.5(3) . . ? C44 N5 C48 108.4(3) . . ? C48 N5 C43 111.8(3) . . ? C49 N6 B2 122.6(3) . . ? C50 N6 B2 123.1(3) . . ? C50 N6 C49 114.3(3) . . ? C5 C6 H6 121.4 . . ? C7 C6 C5 117.3(3) . . ? C7 C6 H6 121.4 . . ? B2 N7 C51 135.2(3) . . ? C75 N7 B2 107.2(2) . . ? C75 N7 C51 117.6(3) . . ? C6 C7 C8 118.7(3) . . ? C6 C7 C11 136.8(3) . . ? C8 C7 C11 104.5(3) . . ? C3 C8 C7 124.3(3) . . ? C3 C8 C9 124.1(3) . . ? C7 C8 C9 111.6(3) . . ? C63 N8 B2 133.5(3) . . ? C76 N8 B2 106.8(3) . . ? C76 N8 C63 119.7(3) . . ? C8 C9 C10 104.3(3) . . ? C00P C9 C8 117.6(3) . . ? C00P C9 C10 138.1(3) . . ? C1 C00P H00P 120.7 . . ? C9 C00P C1 118.7(3) . . ? C9 C00P H00P 120.7 . . ? N2 C10 C9 140.2(3) . . ? C11 C10 N2 109.9(3) . . ? C11 C10 C9 109.9(3) . . ? N1 C11 C7 139.7(3) . . ? C10 C11 N1 110.7(3) . . ? C10 C11 C7 109.6(3) . . ? C13 C12 N1 117.9(3) . . ? C17 C12 N1 119.4(3) . . ? C17 C12 C13 122.6(3) . . ? C12 C13 C21 121.9(3) . . ? C14 C13 C12 117.4(3) . . ? C14 C13 C21 120.6(3) . . ? C14 C15 H15 120.0 . . ? C14 C15 C16 120.0(3) . . ? C16 C15 H15 120.0 . . ? C13 C14 H14 119.1 . . ? C15 C14 C13 121.8(3) . . ? C15 C14 H14 119.1 . . ? C15 C16 H16 119.6 . . ? C15 C16 C17 120.8(3) . . ? C17 C16 H16 119.6 . . ? C12 C17 C16 117.2(3) . . ? C12 C17 C18 123.2(3) . . ? C16 C17 C18 119.6(3) . . ? C56 C019 H019 107.1 . . ? C58 C019 H019 107.1 . . ? C58 C019 C56 112.3(3) . . ? C58 C019 C59 110.0(3) . . ? C59 C019 H019 107.1 . . ? C59 C019 C56 112.9(3) . . ? H19A C19 H19B 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? C17 C18 C19 110.3(3) . . ? C17 C18 H18 108.1 . . ? C17 C18 C20 110.4(3) . . ? C19 C18 H18 108.1 . . ? C19 C18 C20 111.7(3) . . ? C20 C18 H18 108.1 . . ? C18 C20 H20A 109.5 . . ? C18 C20 H20B 109.5 . . ? C18 C20 H20C 109.5 . . ? H20A C20 H20B 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C13 C21 H21 107.6 . . ? C13 C21 C22 110.2(3) . . ? C13 C21 C23 112.4(3) . . ? C22 C21 H21 107.6 . . ? C22 C21 C23 111.4(3) . . ? C23 C21 H21 107.6 . . ? C21 C22 H22A 109.5 . . ? C21 C22 H22B 109.5 . . ? C21 C22 H22C 109.5 . . ? H22A C22 H22B 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C25 C24 N2 118.4(2) . . ? C29 C24 N2 118.8(3) . . ? C29 C24 C25 122.7(3) . . ? C21 C23 H23A 109.5 . . ? C21 C23 H23B 109.5 . . ? C21 C23 H23C 109.5 . . ? H23A C23 H23B 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C63 C025 C67 117.4(4) . . ? C63 C025 C69 121.8(4) . . ? C67 C025 C69 120.9(4) . . ? C24 C25 C33 121.9(3) . . ? C26 C25 C24 117.0(3) . . ? C26 C25 C33 121.1(3) . . ? C25 C26 H26 119.5 . . ? C27 C26 C25 121.0(3) . . ? C27 C26 H26 119.5 . . ? C26 C27 H27 119.6 . . ? C28 C27 C26 120.7(3) . . ? C28 C27 H27 119.6 . . ? C27 C28 H28 119.7 . . ? C27 C28 C29 120.5(3) . . ? C29 C28 H28 119.7 . . ? C24 C29 C28 117.9(3) . . ? C24 C29 C30 121.9(3) . . ? C28 C29 C30 120.1(3) . . ? C29 C30 H30 107.6 . . ? C29 C30 C32 113.7(3) . . ? C31 C30 C29 110.6(3) . . ? C31 C30 H30 107.6 . . ? C31 C30 C32 109.6(3) . . ? C32 C30 H30 107.6 . . ? C30 C31 H31A 109.5 . . ? C30 C31 H31B 109.5 . . ? C30 C31 H31C 109.5 . . ? H31A C31 H31B 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C30 C32 H32A 109.5 . . ? C30 C32 H32B 109.5 . . ? C30 C32 H32C 109.5 . . ? H32A C32 H32B 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C25 C33 H33 107.3 . . ? C25 C33 C35 110.8(3) . . ? C34 C33 C25 114.2(3) . . ? C34 C33 H33 107.3 . . ? C34 C33 C35 109.6(3) . . ? C35 C33 H33 107.3 . . ? C33 C34 H34A 109.5 . . ? C33 C34 H34B 109.5 . . ? C33 C34 H34C 109.5 . . ? H34A C34 H34B 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C33 C35 H35A 109.5 . . ? C33 C35 H35B 109.5 . . ? C33 C35 H35C 109.5 . . ? H35A C35 H35B 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? N3 C36 H36 117.9 . . ? C37 C36 N3 124.2(3) . . ? C37 C36 H36 117.9 . . ? C36 C37 H37 117.6 . . ? C36 C37 C38 124.8(3) . . ? C38 C37 H37 117.6 . . ? N4 C38 C43 107.5(2) . . ? C37 C38 N4 110.8(3) . . ? C37 C38 C39 107.6(3) . . ? C37 C38 C43 113.9(3) . . ? C39 C38 N4 107.5(2) . . ? C39 C38 C43 109.4(3) . . ? C38 C39 H39 117.7 . . ? C40 C39 C38 124.5(3) . . ? C40 C39 H39 117.7 . . ? N3 C40 H40 117.8 . . ? C39 C40 N3 124.5(3) . . ? C39 C40 H40 117.8 . . ? N4 C41 H41A 109.5 . . ? N4 C41 H41B 109.5 . . ? N4 C41 H41C 109.5 . . ? H41A C41 H41B 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? N4 C42 H42A 109.5 . . ? N4 C42 H42B 109.5 . . ? N4 C42 H42C 109.5 . . ? H42A C42 H42B 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? N5 C43 C38 107.5(2) . . ? C46 C43 N5 108.2(3) . . ? C46 C43 C38 110.2(3) . . ? C47 C43 N5 110.2(3) . . ? C47 C43 C38 112.7(3) . . ? C47 C43 C46 107.9(3) . . ? N5 C44 H44A 109.5 . . ? N5 C44 H44B 109.5 . . ? N5 C44 H44C 109.5 . . ? H44A C44 H44B 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? C43 C46 H46 117.3 . . ? C49 C46 C43 125.4(3) . . ? C49 C46 H46 117.3 . . ? C43 C47 H47 117.9 . . ? C50 C47 C43 124.2(3) . . ? C50 C47 H47 117.9 . . ? N5 C48 H48A 109.5 . . ? N5 C48 H48B 109.5 . . ? N5 C48 H48C 109.5 . . ? H48A C48 H48B 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? N6 C49 H49 118.3 . . ? C46 C49 N6 123.4(3) . . ? C46 C49 H49 118.3 . . ? N6 C50 H50 117.7 . . ? C47 C50 N6 124.5(3) . . ? C47 C50 H50 117.7 . . ? C52 C51 N7 118.7(3) . . ? C56 C51 N7 118.6(3) . . ? C56 C51 C52 122.6(3) . . ? C51 C52 C53 117.4(3) . . ? C51 C52 C60 122.0(3) . . ? C53 C52 C60 120.6(3) . . ? C52 C53 H53 119.2 . . ? C54 C53 C52 121.7(3) . . ? C54 C53 H53 119.2 . . ? C53 C54 H54 120.1 . . ? C53 C54 C55 119.8(3) . . ? C55 C54 H54 120.1 . . ? C54 C55 H55 119.6 . . ? C54 C55 C56 120.7(3) . . ? C56 C55 H55 119.6 . . ? C51 C56 C019 121.8(3) . . ? C51 C56 C55 117.7(3) . . ? C55 C56 C019 120.5(3) . . ? C019 C58 H58A 109.5 . . ? C019 C58 H58B 109.5 . . ? C019 C58 H58C 109.5 . . ? H58A C58 H58B 109.5 . . ? H58A C58 H58C 109.5 . . ? H58B C58 H58C 109.5 . . ? C019 C59 H59A 109.5 . . ? C019 C59 H59B 109.5 . . ? C019 C59 H59C 109.5 . . ? H59A C59 H59B 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C52 C60 H60 108.0 . . ? C52 C60 C62 110.8(5) . . ? C61 C60 C52 111.7(3) . . ? C61 C60 H60 108.0 . . ? C61 C60 C62 110.3(3) . . ? C62 C60 H60 108.0 . . ? C60 C61 H61A 109.5 . . ? C60 C61 H61B 109.5 . . ? C60 C61 H61C 109.5 . . ? H61A C61 H61B 109.5 . . ? H61A C61 H61C 109.5 . . ? H61B C61 H61C 109.5 . . ? C60 C62 H62A 109.5 . . ? C60 C62 H62B 109.5 . . ? C60 C62 H62C 109.5 . . ? H62A C62 H62B 109.5 . . ? H62A C62 H62C 109.5 . . ? H62B C62 H62C 109.5 . . ? C025 C63 N8 118.9(4) . . ? C025 C63 C64 123.3(4) . . ? C64 C63 N8 117.8(3) . . ? C63 C64 C72 122.0(3) . . ? C65 C64 C63 117.0(4) . . ? C65 C64 C72 121.0(4) . . ? C64 C65 H65 119.7 . . ? C66 C65 C64 120.6(5) . . ? C66 C65 H65 119.7 . . ? C65 C66 H66 118.9 . . ? C65 C66 C67 122.1(4) . . ? C67 C66 H66 118.9 . . ? C025 C67 H67 120.2 . . ? C66 C67 C025 119.6(4) . . ? C66 C67 H67 120.2 . . ? C025 C69 H69 106.0 . . ? C025 C69 C70 111.4(3) . . ? C025 C69 C71 115.5(4) . . ? C70 C69 H69 106.0 . . ? C70 C69 C71 111.3(4) . . ? C71 C69 H69 106.0 . . ? C69 C70 H70A 109.5 . . ? C69 C70 H70B 109.5 . . ? C69 C70 H70C 109.5 . . ? H70A C70 H70B 109.5 . . ? H70A C70 H70C 109.5 . . ? H70B C70 H70C 109.5 . . ? C69 C71 H71A 109.5 . . ? C69 C71 H71B 109.5 . . ? C69 C71 H71C 109.5 . . ? H71A C71 H71B 109.5 . . ? H71A C71 H71C 109.5 . . ? H71B C71 H71C 109.5 . . ? C64 C72 H72 106.0 . . ? C64 C72 C74 110.7(3) . . ? C73 C72 C64 114.4(4) . . ? C73 C72 H72 106.0 . . ? C73 C72 C74 112.9(4) . . ? C74 C72 H72 106.0 . . ? C72 C73 H73A 109.5 . . ? C72 C73 H73B 109.5 . . ? C72 C73 H73C 109.5 . . ? H73A C73 H73B 109.5 . . ? H73A C73 H73C 109.5 . . ? H73B C73 H73C 109.5 . . ? C72 C74 H74A 109.5 . . ? C72 C74 H74B 109.5 . . ? C72 C74 H74C 109.5 . . ? H74A C74 H74B 109.5 . . ? H74A C74 H74C 109.5 . . ? H74B C74 H74C 109.5 . . ? N7 C75 C86 138.7(3) . . ? C76 C75 N7 109.9(3) . . ? C76 C75 C86 111.4(3) . . ? N8 C76 C77 140.8(3) . . ? C75 C76 N8 110.3(3) . . ? C75 C76 C77 108.8(3) . . ? C78 C77 C76 136.7(4) . . ? C78 C77 C82 118.4(3) . . ? C82 C77 C76 104.9(3) . . ? C77 C78 H78 121.4 . . ? C77 C78 C79 117.1(4) . . ? C79 C78 H78 121.4 . . ? C78 C79 H79 118.0 . . ? C80 C79 C78 123.9(3) . . ? C80 C79 H79 118.0 . . ? C79 C80 H80 120.2 . . ? C79 C80 C81 119.7(4) . . ? C81 C80 H80 120.2 . . ? C82 C81 C80 116.3(4) . . ? C82 C81 C83 116.5(3) . . ? C83 C81 C80 127.2(4) . . ? C77 C82 C86 111.2(3) . . ? C81 C82 C77 124.6(3) . . ? C81 C82 C86 124.2(3) . . ? C81 C83 H83 119.7 . . ? C84 C83 C81 120.6(3) . . ? C84 C83 H83 119.7 . . ? C83 C84 H84 119.2 . . ? C83 C84 C85 121.6(4) . . ? C85 C84 H84 119.2 . . ? C84 C85 H85 120.3 . . ? C86 C85 C84 119.3(3) . . ? C86 C85 H85 120.3 . . ? C82 C86 C75 103.6(3) . . ? C85 C86 C75 138.6(3) . . ? C85 C86 C82 117.8(3) . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag N1 B1 1.456(4) . ? N1 C11 1.380(4) . ? N1 C12 1.456(4) . ? B1 N2 1.459(4) . ? B1 N3 1.429(4) . ? C1 H1 0.9500 . ? C1 C2 1.365(5) . ? C1 C00P 1.406(4) . ? N2 C10 1.395(4) . ? N2 C24 1.454(3) . ? B2 N6 1.434(4) . ? B2 N7 1.445(5) . ? B2 N8 1.466(4) . ? C2 H2 0.9500 . ? C2 C3 1.416(5) . ? C3 C4 1.420(4) . ? C3 C8 1.366(4) . ? N3 C36 1.393(4) . ? N3 C40 1.418(4) . ? C4 H4 0.9500 . ? C4 C5 1.363(5) . ? N4 C38 1.520(4) . ? N4 C41 1.451(4) . ? N4 C42 1.464(4) . ? C5 H5 0.9500 . ? C5 C6 1.423(4) . ? N5 C43 1.514(4) . ? N5 C44 1.473(4) . ? N5 C48 1.480(4) . ? N6 C49 1.425(4) . ? N6 C50 1.394(4) . ? C6 H6 0.9500 . ? C6 C7 1.383(4) . ? N7 C51 1.452(4) . ? N7 C75 1.405(4) . ? C7 C8 1.412(4) . ? C7 C11 1.468(4) . ? C8 C9 1.429(4) . ? N8 C63 1.450(4) . ? N8 C76 1.396(4) . ? C9 C00P 1.389(4) . ? C9 C10 1.458(4) . ? C00P H00P 0.9500 . ? C10 C11 1.360(4) . ? C12 C13 1.409(4) . ? C12 C17 1.383(4) . ? C13 C14 1.378(4) . ? C13 C21 1.514(4) . ? C15 H15 0.9500 . ? C15 C14 1.369(4) . ? C15 C16 1.384(4) . ? C14 H14 0.9500 . ? C16 H16 0.9500 . ? C16 C17 1.408(4) . ? C17 C18 1.514(4) . ? C019 H019 1.0000 . ? C019 C56 1.517(4) . ? C019 C58 1.491(5) . ? C019 C59 1.515(5) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C19 C18 1.525(5) . ? C18 H18 1.0000 . ? C18 C20 1.532(5) . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21 1.0000 . ? C21 C22 1.528(5) . ? C21 C23 1.527(4) . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C24 C25 1.400(4) . ? C24 C29 1.384(4) . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C025 C63 1.369(5) . ? C025 C67 1.422(6) . ? C025 C69 1.505(6) . ? C25 C26 1.388(4) . ? C25 C33 1.522(4) . ? C26 H26 0.9500 . ? C26 C27 1.381(5) . ? C27 H27 0.9500 . ? C27 C28 1.369(5) . ? C28 H28 0.9500 . ? C28 C29 1.393(4) . ? C29 C30 1.518(4) . ? C30 H30 1.0000 . ? C30 C31 1.502(5) . ? C30 C32 1.519(5) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33 1.0000 . ? C33 C34 1.516(5) . ? C33 C35 1.533(4) . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36 0.9500 . ? C36 C37 1.327(4) . ? C37 H37 0.9500 . ? C37 C38 1.496(4) . ? C38 C39 1.515(4) . ? C38 C43 1.607(5) . ? C39 H39 0.9500 . ? C39 C40 1.305(4) . ? C40 H40 0.9500 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 C46 1.495(4) . ? C43 C47 1.500(4) . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C46 H46 0.9500 . ? C46 C49 1.317(4) . ? C47 H47 0.9500 . ? C47 C50 1.332(4) . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? C49 H49 0.9500 . ? C50 H50 0.9500 . ? C51 C52 1.385(4) . ? C51 C56 1.379(4) . ? C52 C53 1.389(5) . ? C52 C60 1.526(5) . ? C53 H53 0.9500 . ? C53 C54 1.362(5) . ? C54 H54 0.9500 . ? C54 C55 1.376(5) . ? C55 H55 0.9500 . ? C55 C56 1.398(4) . ? C58 H58A 0.9800 . ? C58 H58B 0.9800 . ? C58 H58C 0.9800 . ? C59 H59A 0.9800 . ? C59 H59B 0.9800 . ? C59 H59C 0.9800 . ? C60 H60 1.0000 . ? C60 C61 1.524(6) . ? C60 C62 1.525(7) . ? C61 H61A 0.9800 . ? C61 H61B 0.9800 . ? C61 H61C 0.9800 . ? C62 H62A 0.9800 . ? C62 H62B 0.9800 . ? C62 H62C 0.9800 . ? C63 C64 1.416(5) . ? C64 C65 1.396(5) . ? C64 C72 1.501(5) . ? C65 H65 0.9500 . ? C65 C66 1.357(6) . ? C66 H66 0.9500 . ? C66 C67 1.377(7) . ? C67 H67 0.9500 . ? C69 H69 1.0000 . ? C69 C70 1.511(6) . ? C69 C71 1.532(5) . ? C70 H70A 0.9800 . ? C70 H70B 0.9800 . ? C70 H70C 0.9800 . ? C71 H71A 0.9800 . ? C71 H71B 0.9800 . ? C71 H71C 0.9800 . ? C72 H72 1.0000 . ? C72 C73 1.489(5) . ? C72 C74 1.530(6) . ? C73 H73A 0.9800 . ? C73 H73B 0.9800 . ? C73 H73C 0.9800 . ? C74 H74A 0.9800 . ? C74 H74B 0.9800 . ? C74 H74C 0.9800 . ? C75 C76 1.360(4) . ? C75 C86 1.436(4) . ? C76 C77 1.457(4) . ? C77 C78 1.379(4) . ? C77 C82 1.415(5) . ? C78 H78 0.9500 . ? C78 C79 1.430(5) . ? C79 H79 0.9500 . ? C79 C80 1.347(5) . ? C80 H80 0.9500 . ? C80 C81 1.428(5) . ? C81 C82 1.373(4) . ? C81 C83 1.410(5) . ? C82 C86 1.441(4) . ? C83 H83 0.9500 . ? C83 C84 1.395(5) . ? C84 H84 0.9500 . ? C84 C85 1.412(5) . ? C85 H85 0.9500 . ? C85 C86 1.370(4) . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 B1 N2 C10 0.6(3) . . . . ? N1 B1 N2 C24 -174.6(3) . . . . ? N1 B1 N3 C36 -167.8(3) . . . . ? N1 B1 N3 C40 11.2(5) . . . . ? N1 C12 C13 C14 179.6(3) . . . . ? N1 C12 C13 C21 2.8(4) . . . . ? N1 C12 C17 C16 -179.5(3) . . . . ? N1 C12 C17 C18 -0.4(5) . . . . ? B1 N1 C11 C7 -176.6(3) . . . . ? B1 N1 C11 C10 0.4(3) . . . . ? B1 N1 C12 C13 -88.4(4) . . . . ? B1 N1 C12 C17 93.8(4) . . . . ? B1 N2 C10 C9 178.5(3) . . . . ? B1 N2 C10 C11 -0.4(3) . . . . ? B1 N2 C24 C25 70.1(4) . . . . ? B1 N2 C24 C29 -111.7(4) . . . . ? B1 N3 C36 C37 -179.4(3) . . . . ? B1 N3 C40 C39 -178.9(3) . . . . ? C1 C2 C3 C4 178.8(3) . . . . ? C1 C2 C3 C8 0.4(5) . . . . ? N2 B1 N3 C36 10.1(5) . . . . ? N2 B1 N3 C40 -171.0(3) . . . . ? N2 C10 C11 N1 0.0(3) . . . . ? N2 C10 C11 C7 177.9(2) . . . . ? N2 C24 C25 C26 174.9(3) . . . . ? N2 C24 C25 C33 -5.7(4) . . . . ? N2 C24 C29 C28 -174.7(3) . . . . ? N2 C24 C29 C30 8.6(4) . . . . ? B2 N6 C49 C46 179.9(3) . . . . ? B2 N6 C50 C47 -178.3(3) . . . . ? B2 N7 C51 C52 -93.3(4) . . . . ? B2 N7 C51 C56 90.4(4) . . . . ? B2 N7 C75 C76 0.3(3) . . . . ? B2 N7 C75 C86 -178.6(4) . . . . ? B2 N8 C63 C025 76.0(5) . . . . ? B2 N8 C63 C64 -104.5(4) . . . . ? B2 N8 C76 C75 0.0(4) . . . . ? B2 N8 C76 C77 178.4(4) . . . . ? C2 C1 C00P C9 1.4(5) . . . . ? C2 C3 C4 C5 -178.9(3) . . . . ? C2 C3 C8 C7 -179.9(3) . . . . ? C2 C3 C8 C9 0.1(4) . . . . ? C3 C4 C5 C6 -0.7(5) . . . . ? C3 C8 C9 C00P 0.2(4) . . . . ? C3 C8 C9 C10 179.2(3) . . . . ? N3 B1 N2 C10 -177.7(3) . . . . ? N3 B1 N2 C24 7.2(5) . . . . ? N3 C36 C37 C38 -4.3(5) . . . . ? C4 C3 C8 C7 1.5(4) . . . . ? C4 C3 C8 C9 -178.5(3) . . . . ? C4 C5 C6 C7 0.8(5) . . . . ? N4 C38 C39 C40 116.5(3) . . . . ? N4 C38 C43 N5 146.2(2) . . . . ? N4 C38 C43 C46 28.5(3) . . . . ? N4 C38 C43 C47 -92.2(3) . . . . ? C5 C6 C7 C8 0.2(4) . . . . ? C5 C6 C7 C11 178.2(3) . . . . ? N5 C43 C46 C49 115.9(3) . . . . ? N5 C43 C47 C50 -113.1(4) . . . . ? N6 B2 N7 C51 1.0(6) . . . . ? N6 B2 N7 C75 178.9(3) . . . . ? N6 B2 N8 C63 2.3(6) . . . . ? N6 B2 N8 C76 -179.1(3) . . . . ? C6 C7 C8 C3 -1.4(4) . . . . ? C6 C7 C8 C9 178.7(2) . . . . ? C6 C7 C11 N1 -0.4(6) . . . . ? C6 C7 C11 C10 -177.4(3) . . . . ? N7 B2 N6 C49 6.3(5) . . . . ? N7 B2 N6 C50 -171.4(3) . . . . ? N7 B2 N8 C63 -178.5(3) . . . . ? N7 B2 N8 C76 0.2(3) . . . . ? N7 C51 C52 C53 -176.7(3) . . . . ? N7 C51 C52 C60 3.9(5) . . . . ? N7 C51 C56 C019 -2.6(5) . . . . ? N7 C51 C56 C55 176.1(3) . . . . ? N7 C75 C76 N8 -0.2(4) . . . . ? N7 C75 C76 C77 -179.2(2) . . . . ? N7 C75 C86 C82 179.1(3) . . . . ? N7 C75 C86 C85 0.5(7) . . . . ? C7 C8 C9 C00P -179.8(3) . . . . ? C7 C8 C9 C10 -0.8(3) . . . . ? C8 C3 C4 C5 -0.5(4) . . . . ? C8 C7 C11 N1 177.7(3) . . . . ? C8 C7 C11 C10 0.7(3) . . . . ? C8 C9 C00P C1 -0.9(4) . . . . ? C8 C9 C10 N2 -177.5(3) . . . . ? C8 C9 C10 C11 1.3(3) . . . . ? N8 B2 N6 C49 -174.7(3) . . . . ? N8 B2 N6 C50 7.6(5) . . . . ? N8 B2 N7 C51 -178.2(3) . . . . ? N8 B2 N7 C75 -0.3(3) . . . . ? N8 C63 C64 C65 -178.7(3) . . . . ? N8 C63 C64 C72 4.4(5) . . . . ? N8 C76 C77 C78 1.8(7) . . . . ? N8 C76 C77 C82 -178.8(4) . . . . ? C9 C10 C11 N1 -179.2(2) . . . . ? C9 C10 C11 C7 -1.3(3) . . . . ? C00P C1 C2 C3 -1.1(5) . . . . ? C00P C9 C10 N2 1.2(6) . . . . ? C00P C9 C10 C11 180.0(3) . . . . ? C10 N2 C24 C25 -104.6(3) . . . . ? C10 N2 C24 C29 73.6(3) . . . . ? C10 C9 C00P C1 -179.5(3) . . . . ? C11 N1 B1 N2 -0.6(3) . . . . ? C11 N1 B1 N3 177.6(3) . . . . ? C11 N1 C12 C13 78.7(3) . . . . ? C11 N1 C12 C17 -99.2(3) . . . . ? C11 C7 C8 C3 -180.0(3) . . . . ? C11 C7 C8 C9 0.1(3) . . . . ? C12 N1 B1 N2 167.6(3) . . . . ? C12 N1 B1 N3 -14.2(5) . . . . ? C12 N1 C11 C7 13.3(5) . . . . ? C12 N1 C11 C10 -169.7(2) . . . . ? C12 C13 C14 C15 1.6(5) . . . . ? C12 C13 C21 C22 103.9(3) . . . . ? C12 C13 C21 C23 -131.3(3) . . . . ? C12 C17 C18 C19 -117.4(3) . . . . ? C12 C17 C18 C20 118.6(3) . . . . ? C13 C12 C17 C16 2.7(5) . . . . ? C13 C12 C17 C18 -178.2(3) . . . . ? C15 C16 C17 C12 -1.9(5) . . . . ? C15 C16 C17 C18 178.9(3) . . . . ? C14 C13 C21 C22 -72.8(4) . . . . ? C14 C13 C21 C23 52.0(4) . . . . ? C14 C15 C16 C17 1.1(5) . . . . ? C16 C15 C14 C13 -0.9(5) . . . . ? C16 C17 C18 C19 61.7(4) . . . . ? C16 C17 C18 C20 -62.3(4) . . . . ? C17 C12 C13 C14 -2.6(5) . . . . ? C17 C12 C13 C21 -179.4(3) . . . . ? C21 C13 C14 C15 178.4(3) . . . . ? C24 N2 C10 C9 -5.5(5) . . . . ? C24 N2 C10 C11 175.7(2) . . . . ? C24 C25 C26 C27 0.1(5) . . . . ? C24 C25 C33 C34 -152.1(3) . . . . ? C24 C25 C33 C35 83.6(4) . . . . ? C24 C29 C30 C31 93.0(4) . . . . ? C24 C29 C30 C32 -143.1(3) . . . . ? C025 C63 C64 C65 0.8(5) . . . . ? C025 C63 C64 C72 -176.1(3) . . . . ? C25 C24 C29 C28 3.4(5) . . . . ? C25 C24 C29 C30 -173.2(3) . . . . ? C25 C26 C27 C28 2.8(5) . . . . ? C26 C25 C33 C34 27.2(4) . . . . ? C26 C25 C33 C35 -97.1(3) . . . . ? C26 C27 C28 C29 -2.7(5) . . . . ? C27 C28 C29 C24 -0.4(5) . . . . ? C27 C28 C29 C30 176.3(3) . . . . ? C28 C29 C30 C31 -83.5(4) . . . . ? C28 C29 C30 C32 40.3(5) . . . . ? C29 C24 C25 C26 -3.3(5) . . . . ? C29 C24 C25 C33 176.1(3) . . . . ? C33 C25 C26 C27 -179.3(3) . . . . ? C36 N3 C40 C39 0.2(4) . . . . ? C36 C37 C38 N4 -112.7(3) . . . . ? C36 C37 C38 C39 4.5(4) . . . . ? C36 C37 C38 C43 125.9(3) . . . . ? C37 C38 C39 C40 -2.9(4) . . . . ? C37 C38 C43 N5 -90.6(3) . . . . ? C37 C38 C43 C46 151.7(3) . . . . ? C37 C38 C43 C47 31.0(4) . . . . ? C38 C39 C40 N3 0.8(5) . . . . ? C38 C43 C46 C49 -126.8(3) . . . . ? C38 C43 C47 C50 126.8(4) . . . . ? C39 C38 C43 N5 29.8(3) . . . . ? C39 C38 C43 C46 -87.9(3) . . . . ? C39 C38 C43 C47 151.4(3) . . . . ? C40 N3 C36 C37 1.5(4) . . . . ? C41 N4 C38 C37 -56.2(3) . . . . ? C41 N4 C38 C39 -173.5(3) . . . . ? C41 N4 C38 C43 68.8(3) . . . . ? C42 N4 C38 C37 66.5(3) . . . . ? C42 N4 C38 C39 -50.9(3) . . . . ? C42 N4 C38 C43 -168.5(3) . . . . ? C43 C38 C39 C40 -127.0(3) . . . . ? C43 C46 C49 N6 2.4(5) . . . . ? C43 C47 C50 N6 -5.6(6) . . . . ? C44 N5 C43 C38 67.3(3) . . . . ? C44 N5 C43 C46 -173.7(3) . . . . ? C44 N5 C43 C47 -55.9(4) . . . . ? C46 C43 C47 C50 4.8(5) . . . . ? C47 C43 C46 C49 -3.3(4) . . . . ? C48 N5 C43 C38 -168.1(3) . . . . ? C48 N5 C43 C46 -49.0(3) . . . . ? C48 N5 C43 C47 68.7(4) . . . . ? C49 N6 C50 C47 3.8(5) . . . . ? C50 N6 C49 C46 -2.2(4) . . . . ? C51 N7 C75 C76 178.7(3) . . . . ? C51 N7 C75 C86 -0.2(5) . . . . ? C51 C52 C53 C54 0.8(6) . . . . ? C51 C52 C60 C61 111.8(4) . . . . ? C51 C52 C60 C62 -124.8(4) . . . . ? C52 C51 C56 C019 -178.8(3) . . . . ? C52 C51 C56 C55 0.0(5) . . . . ? C52 C53 C54 C55 -0.5(6) . . . . ? C53 C52 C60 C61 -67.6(5) . . . . ? C53 C52 C60 C62 55.7(5) . . . . ? C53 C54 C55 C56 -0.1(6) . . . . ? C54 C55 C56 C019 179.1(3) . . . . ? C54 C55 C56 C51 0.3(5) . . . . ? C56 C51 C52 C53 -0.5(5) . . . . ? C56 C51 C52 C60 -179.9(3) . . . . ? C58 C019 C56 C51 -94.6(4) . . . . ? C58 C019 C56 C55 86.7(4) . . . . ? C59 C019 C56 C51 140.4(3) . . . . ? C59 C019 C56 C55 -38.3(4) . . . . ? C60 C52 C53 C54 -179.8(4) . . . . ? C63 N8 C76 C75 178.9(3) . . . . ? C63 N8 C76 C77 -2.7(6) . . . . ? C63 C025 C67 C66 -0.1(6) . . . . ? C63 C025 C69 C70 86.4(5) . . . . ? C63 C025 C69 C71 -145.4(4) . . . . ? C63 C64 C65 C66 1.0(6) . . . . ? C63 C64 C72 C73 -152.2(4) . . . . ? C63 C64 C72 C74 78.9(5) . . . . ? C64 C65 C66 C67 -2.3(7) . . . . ? C65 C64 C72 C73 31.0(6) . . . . ? C65 C64 C72 C74 -97.9(4) . . . . ? C65 C66 C67 C025 1.9(7) . . . . ? C67 C025 C63 N8 178.3(3) . . . . ? C67 C025 C63 C64 -1.2(5) . . . . ? C67 C025 C69 C70 -93.8(5) . . . . ? C67 C025 C69 C71 34.4(5) . . . . ? C69 C025 C63 N8 -1.9(5) . . . . ? C69 C025 C63 C64 178.6(3) . . . . ? C69 C025 C67 C66 -180.0(4) . . . . ? C72 C64 C65 C66 177.9(4) . . . . ? C75 N7 C51 C52 88.9(3) . . . . ? C75 N7 C51 C56 -87.4(3) . . . . ? C75 C76 C77 C78 -179.8(4) . . . . ? C75 C76 C77 C82 -0.3(3) . . . . ? C76 N8 C63 C025 -102.5(4) . . . . ? C76 N8 C63 C64 77.0(4) . . . . ? C76 C75 C86 C82 0.3(3) . . . . ? C76 C75 C86 C85 -178.4(4) . . . . ? C76 C77 C78 C79 179.8(3) . . . . ? C76 C77 C82 C81 178.6(3) . . . . ? C76 C77 C82 C86 0.5(3) . . . . ? C77 C78 C79 C80 1.1(5) . . . . ? C77 C82 C86 C75 -0.5(3) . . . . ? C77 C82 C86 C85 178.5(3) . . . . ? C78 C77 C82 C81 -1.8(5) . . . . ? C78 C77 C82 C86 -179.9(3) . . . . ? C78 C79 C80 C81 -1.2(5) . . . . ? C79 C80 C81 C82 -0.2(5) . . . . ? C79 C80 C81 C83 -179.5(3) . . . . ? C80 C81 C82 C77 1.7(5) . . . . ? C80 C81 C82 C86 179.5(3) . . . . ? C80 C81 C83 C84 -179.9(3) . . . . ? C81 C82 C86 C75 -178.6(3) . . . . ? C81 C82 C86 C85 0.4(4) . . . . ? C81 C83 C84 C85 0.2(6) . . . . ? C82 C77 C78 C79 0.4(4) . . . . ? C82 C81 C83 C84 0.8(5) . . . . ? C83 C81 C82 C77 -178.9(3) . . . . ? C83 C81 C82 C86 -1.1(5) . . . . ? C83 C84 C85 C86 -0.9(5) . . . . ? C84 C85 C86 C75 179.1(3) . . . . ? C84 C85 C86 C82 0.6(4) . . . . ? C86 C75 C76 N8 179.0(3) . . . . ? C86 C75 C76 C77 0.0(4) . . . . ? 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 _smtbx_masks_void_content 1 -0.177 -0.434 -0.177 2820.4 443.6 ?