#------------------------------------------------------------------------------ #$Date: 2024-06-08 02:11:15 +0300 (Sat, 08 Jun 2024) $ #$Revision: 292266 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/18/1571805.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_1571805 loop_ _publ_author_name 'Ye, Shounuan' 'Chen, Tianyi' 'Yu, Jinyang' 'Wang, Shanlu' 'Li, Shuixing' 'Wang, Jingxi' 'Fu, Yuang' 'Zhu, Yuxuan' 'Wang, Mengting' 'Lu, Xinhui' 'Ma, Zaifei' 'Li, Chang-Zhi' 'Shi, Minmin' 'Chen, Hongzheng' _publ_section_title ; Enhanced crystal network and charge transfer of non-fused ring electron acceptor via interchain interaction enable efficient and stable organic solar cells ; _journal_name_full 'Energy & Environmental Science' _journal_paper_doi 10.1039/D4EE02027H _journal_year 2024 _chemical_formula_moiety 'C84 H75 F4 N4 O6 S6, C42 H38 F2 N2 O3 S3' _chemical_formula_sum 'C126 H113 F6 N6 O9 S9' _chemical_formula_weight 2257.76 _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_Hall '-P 1' _space_group_name_H-M_alt 'P -1' _atom_sites_solution_hydrogens geom _audit_creation_date 2024-03-11 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2024-05-08 deposited with the CCDC. 2024-06-07 downloaded from the CCDC. ; _cell_angle_alpha 98.961(5) _cell_angle_beta 96.362(4) _cell_angle_gamma 98.914(5) _cell_formula_units_Z 2 _cell_length_a 15.5739(12) _cell_length_b 18.8499(15) _cell_length_c 20.1648(13) _cell_measurement_reflns_used 9864 _cell_measurement_temperature 170(2) _cell_measurement_theta_max 66.390 _cell_measurement_theta_min 2.900 _cell_volume 5721.3(7) _computing_cell_refinement 'SAINT V8.40B (?, 2016)' _computing_data_reduction 'SAINT V8.40B (?, 2016)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _diffrn_ambient_temperature 170.0 _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.993 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54178 _diffrn_reflns_av_R_equivalents 0.1159 _diffrn_reflns_av_unetI/netI 0.2119 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.993 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 63824 _diffrn_reflns_point_group_measured_fraction_full 0.993 _diffrn_reflns_point_group_measured_fraction_max 0.993 _diffrn_reflns_theta_full 66.594 _diffrn_reflns_theta_max 66.594 _diffrn_reflns_theta_min 2.240 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.199 _exptl_absorpt_correction_T_max 0.7531 _exptl_absorpt_correction_T_min 0.3544 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1369 before and 0.0915 after correction. The Ratio of minimum to maximum transmission is 0.4706. The \l/2 correction factor is Not present. ; _exptl_crystal_density_diffrn 1.311 _exptl_crystal_F_000 2362 _refine_diff_density_max 1.157 _refine_diff_density_min -0.839 _refine_diff_density_rms 0.112 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.204 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 1408 _refine_ls_number_reflns 20079 _refine_ls_number_restraints 234 _refine_ls_restrained_S_all 1.203 _refine_ls_R_factor_all 0.2413 _refine_ls_R_factor_gt 0.1847 _refine_ls_shift/su_max 0.009 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+20.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.4266 _refine_ls_wR_factor_ref 0.4694 _reflns_Friedel_coverage 0.000 _reflns_number_gt 10035 _reflns_number_total 20079 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d4ee02027h2.cif _cod_data_source_block cu_20240308ysn_h_0m_a _cod_database_code 1571805 _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, All C(H,H) groups At 1.5 times of: All C(H,H,H) groups 2. Restrained distances C18-C8 1.5 with sigma of 0.02 C8-C5 = C8-C10 1.41 with sigma of 0.02 N4-C5 = N11-C10 1.1 with sigma of 0.02 C01U-N01C = C8-N11 2.5 with sigma of 0.02 C8-N4 2.7 with sigma of 0.02 C01Y-C01M = C8-C18 1.33 with sigma of 0.02 C18-C03Z = C18-C03C 1.45 with sigma of 0.02 3. Uiso/Uaniso restraints and constraints Uanis(N4) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(N11) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(F19) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02I) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C01S) \\sim Ueq, Uanis(C021) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(F20) \\sim Ueq, Uanis(F19) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(C047) \\sim Ueq, Uanis(C048) \\sim Ueq, Uanis(C03P) \\sim Ueq, Uanis(C044) \\sim Ueq, Uanis(C045) \\sim Ueq, Uanis(C042) \\sim Ueq, Uanis(C040) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(N11) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(O17) \\sim Ueq, Uanis(C03U) \\sim Ueq, Uanis(C03Y) \\sim Ueq, Uanis(C03Z) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C03W) \\sim Ueq, Uanis(C03V) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C03C) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C02I) \\sim Ueq, Uanis(C02T) \\sim Ueq, Uanis(C034) \\sim Ueq, Uanis(C03D) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C03X) \\sim Ueq, Uanis(C043) \\sim Ueq, Uanis(C041) \\sim Ueq, Uanis(C03Q) \\sim Ueq, Uanis(C046) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 4.a Ternary CH refined with riding coordinates: C01Z(H01Z), C02K(H02V), C02L(H02L), C03L(H03Q), C03P(H03U), C040(H040) 4.b Secondary CH2 refined with riding coordinates: C01L(H01A,H01B), C023(H02N,H02P), C025(H02A,H02B), C029(H02T,H02U), C02J(H02C, H02D), C02M(H02,H), C02P(H02I,H02J), C02V(H02K,H02M), C031(H03Y,HA), C032(H03A, H03B), C033(H03C,H03D), C034(H03E,H03F), C035(H03G,H03H), C03D(H03L,H03M), C03E(H03,HD), C03N(H4AA,HI), C03R(H6AA,HL), C03X(H03W,H03X), C041(H04A,H04B), C043(H04F,H04G) 4.c Aromatic/amide H refined with riding coordinates: C1(H1), C2(H2), C016(H016), C16(H16), C15(H15), C01B(H01C), C01E(H01E), C01W(H01W), C026(H026), C26(H26), C02G(H02G), C02O(H02O), C02W(H02W), C02X(H02X), C02Y(H02Y), C02Z(H02Z), C030(H030), C036(H036), C039(H039), C03F(H0AA), C03K(H3AA), C03Q(H03V) 4.d Fitted hexagon refined as free rotating group: C16(C03W,C03V,C15,C03Y,C03Z) 4.e Idealised Me refined as rotating group: C027(H02Q,H02R,H02S), C02N(H02E,H02F,H02H), C03A(H03Z,HB,HC), C03B(H03I,H03J, H03K), C03H(H1AA,HE,HF), C03I(H2AA,HG,HH), C03J(H03N,H03O,H03P), C03M(H03R, H03S,H03T), C03O(H5AA,HJ,HK), C042(H04C,H04D,H04E), C044(H04H,H04I,H04J), C045(H04K,H04L,H04M), C046(H04N,H04O,H04P), C047(H04Q,H04R,H04S), C048(H04T, H04U,H04V) ; _shelx_res_file ; TITL cu_20240308YSN_H_0m_a.res in P-1 cu_20240308ysn_h_0m_a.res created by SHELXL-2016/6 at 16:22:19 on 11-Mar-2024 REM Old TITL cu_20240308YSN_H_0m in P-1 REM SHELXT solution in P-1: R1 0.299, Rweak 0.027, Alpha 0.111 REM 0.000 for 0 systematic absences, Orientation as input REM Formula found by SHELXT: C120 F6 N13 O6 S9 CELL 1.54178 15.5739 18.8499 20.1648 98.961 96.362 98.914 ZERR 2 0.0012 0.0015 0.0013 0.005 0.004 0.005 LATT 1 SFAC C H F N O S UNIT 252 226 12 12 18 18 DFIX 1.5 C18 C8 DFIX 1.41 C8 C5 C8 C10 DFIX 1.1 N4 C5 N11 C10 DFIX 2.5 C01U N01C C8 N11 DFIX 2.7 C8 N4 DFIX 1.33 C01Y C01M C8 C18 DFIX 1.45 C18 C03Z C18 C03C ISOR 0.01 0.02 N4 C5 C8 C10 N11 C18 C03C C03U C03Y C03Z C16 C03W C03V C15 = F19 F20 O17 C02X C02I C034 C02T C01S C021 ISOR 0.001 0.002 F20 F19 ISOR 0.01 0.02 C047 C048 C03P C044 C045 C042 C040 ISOR 0.001 0.002 N11 C10 C8 C5 N4 C18 O17 C03U C03Y C03Z C16 C03W C03V C15 = C03C C02X C02I C02T C034 C03D C02P C03X C043 C041 C03Q C046 L.S. 10 PLAN 20 TEMP -103.15 BOND LIST 6 fmap 2 acta REM REM REM WGHT 0.000000 20.000000 FVAR 0.37503 S001 6 0.684358 0.944270 0.731396 11.00000 0.07943 0.09149 = 0.05524 0.01654 0.00882 0.02051 C1 1 0.893278 0.431389 1.009462 11.00000 0.06335 0.11483 = 0.06245 0.02350 0.01476 0.01839 AFIX 43 H1 2 0.890461 0.380921 0.993012 11.00000 -1.20000 AFIX 0 S002 6 0.921789 0.533473 1.132336 11.00000 0.07077 0.10098 = 0.05775 0.02463 0.00801 0.01690 C2 1 0.766258 0.925969 0.991431 11.00000 0.07927 0.09221 = 0.07127 0.01602 0.00824 0.02174 AFIX 43 H2 2 0.748386 0.971181 1.005841 11.00000 -1.20000 AFIX 0 S003 6 0.781045 0.827972 0.874734 11.00000 0.08085 0.10261 = 0.05839 0.02226 0.01031 0.02237 O3 5 0.888385 0.923554 0.627186 11.00000 0.12094 0.10343 = 0.12833 0.01128 -0.01484 0.01428 S004 6 0.945343 0.383612 1.261579 11.00000 0.08772 0.09189 = 0.05723 0.01992 0.00513 0.01545 O4 5 0.773517 0.677279 0.576606 11.00000 0.09416 0.08710 = 0.11603 0.01622 0.01320 0.03150 S005 6 0.947287 0.449099 1.573708 11.00000 0.07030 0.11082 = 0.05614 0.02240 0.00730 0.00986 O5 5 0.592297 0.964884 0.379281 11.00000 0.10523 0.13493 = 0.09438 0.02407 0.01741 0.01528 S006 6 0.758036 0.782263 0.430178 11.00000 0.08274 0.12373 = 0.05947 0.02058 0.01093 0.03869 O6 5 0.458178 0.734010 0.414226 11.00000 0.09161 0.13462 = 0.14372 0.05829 -0.00433 0.01938 S007 6 0.604063 0.865257 0.568293 11.00000 0.08566 0.11802 = 0.06094 0.02725 0.01398 0.03886 S008 6 0.688421 0.715993 0.264743 11.00000 0.09152 0.10627 = 0.07182 0.01620 0.01986 0.02438 C8 1 0.590615 0.679934 -0.143774 11.00000 0.13250 0.13301 = 0.13200 0.02308 0.01869 0.02239 S009 6 0.594660 0.838913 0.127590 11.00000 0.08022 0.14509 = 0.06091 0.02846 0.00778 0.01467 F00A 3 0.903929 0.810312 1.311443 11.00000 0.12812 0.13501 = 0.06309 0.03459 -0.00562 0.01263 F00E 3 0.941427 0.704602 1.222212 11.00000 0.12510 0.13698 = 0.08393 0.03839 -0.01055 0.02407 F00F 3 0.790298 0.568672 0.698033 11.00000 0.20688 0.19257 = 0.05815 0.04612 -0.00796 0.05342 O00H 5 0.835450 0.782661 0.988392 11.00000 0.10480 0.11762 = 0.06393 0.01669 0.00694 0.04003 C00K 1 0.939270 0.495238 1.202882 11.00000 0.05831 0.10383 = 0.04700 0.01887 0.00459 0.01505 C00M 1 0.934441 0.420762 1.188341 11.00000 0.07040 0.10832 = 0.05789 0.02654 0.00744 0.02711 C00O 1 0.920514 0.391230 1.118732 11.00000 0.06930 0.09202 = 0.05459 0.01996 0.00857 0.01834 C00P 1 0.721173 0.952463 0.876853 11.00000 0.08576 0.09666 = 0.05020 0.02253 0.01513 0.02936 C00Q 1 0.877999 0.549451 0.966345 11.00000 0.05839 0.11349 = 0.05604 0.01939 0.00677 0.01091 C00R 1 0.716455 0.920450 0.807605 11.00000 0.07552 0.08879 = 0.06372 0.01821 0.00469 0.01289 C00S 1 0.878356 0.469744 0.958679 11.00000 0.05745 0.10005 = 0.06046 0.02288 0.01023 0.01239 N00T 4 0.717477 1.080207 1.080140 11.00000 0.16407 0.11744 = 0.06614 0.00794 0.00899 0.05799 C00U 1 0.854409 0.378927 1.408462 11.00000 0.06448 0.10994 = 0.06000 0.02527 -0.00161 0.01783 C00Z 1 0.912141 0.449217 1.081541 11.00000 0.05903 0.11761 = 0.05593 0.02881 0.00556 0.01792 C011 1 0.754576 0.906602 0.921460 11.00000 0.08430 0.09413 = 0.05710 0.01977 0.00561 0.02277 N11 4 0.647930 0.586563 -0.086771 11.00000 0.12904 0.13158 = 0.12873 0.01960 0.02068 0.02005 C10 1 0.622596 0.628867 -0.109068 11.00000 0.11952 0.11988 = 0.11941 0.02026 0.01730 0.02018 C012 1 0.747634 0.852070 0.799721 11.00000 0.07233 0.09971 = 0.06409 0.02515 0.00600 0.02618 N013 4 0.805561 1.038116 1.273537 11.00000 0.12262 0.16807 = 0.07323 0.02822 0.02078 0.03625 C014 1 0.845825 0.727786 0.603972 11.00000 0.08784 0.10496 = 0.07051 0.01605 0.00664 0.04153 C015 1 0.970596 0.476338 1.383146 11.00000 0.05965 0.09989 = 0.06746 0.01127 -0.00024 0.01606 C016 1 0.627062 0.837381 0.270014 11.00000 0.07989 0.11278 = 0.05162 0.02290 0.01605 0.02433 AFIX 43 H016 2 0.608360 0.881726 0.286293 11.00000 -1.20000 AFIX 66 C16 1 0.515259 0.805818 -0.220196 11.00000 0.17179 0.17216 = 0.17171 0.03019 0.02388 0.02962 AFIX 43 H16 2 0.524797 0.767264 -0.253403 11.00000 -1.20000 AFIX 65 C03W 1 0.480801 0.864183 -0.240091 11.00000 0.14822 0.14872 = 0.14783 0.02647 0.02026 0.02523 C03V 1 0.466845 0.920594 -0.191504 11.00000 0.19562 0.19588 = 0.19586 0.03462 0.02720 0.03408 C15 1 0.487346 0.918639 -0.123022 11.00000 0.15230 0.15289 = 0.15225 0.02683 0.02112 0.02633 AFIX 43 H15 2 0.477807 0.957193 -0.089815 11.00000 -1.20000 AFIX 65 C03Y 1 0.521804 0.860274 -0.103125 11.00000 0.13593 0.13633 = 0.13583 0.02426 0.01896 0.02332 C03Z 1 0.535761 0.803864 -0.151711 11.00000 0.13943 0.13981 = 0.13918 0.02483 0.01930 0.02370 AFIX 0 C017 1 0.967753 0.471221 1.495891 11.00000 0.06343 0.11263 = 0.05910 0.02403 0.01313 0.01487 O17 5 0.550227 0.892273 0.014677 11.00000 0.13301 0.13772 = 0.13279 0.02495 0.01871 0.02319 C018 1 0.666938 0.803261 0.384183 11.00000 0.07665 0.11419 = 0.06347 0.03302 0.01638 0.04008 C18 1 0.569698 0.748039 -0.119442 11.00000 0.14074 0.14126 = 0.14050 0.02515 0.01961 0.02399 C019 1 0.657407 0.792965 0.311203 11.00000 0.07353 0.10278 = 0.06968 0.02334 0.01071 0.01710 F19 3 0.434722 0.979037 -0.207866 11.00000 0.20062 0.20545 = 0.19981 0.03820 0.02705 0.03300 C01A 1 0.956986 0.469236 1.311727 11.00000 0.06204 0.10894 = 0.06378 0.01177 0.01000 0.00320 C01B 1 0.847549 0.631750 0.878827 11.00000 0.10440 0.12168 = 0.06452 0.02933 0.00931 0.03639 AFIX 43 H01C 2 0.856507 0.675563 0.911135 11.00000 -1.20000 AFIX 0 N01C 4 0.832755 0.323697 0.726596 11.00000 0.13719 0.14858 = 0.07693 0.02120 0.01411 0.04005 C01E 1 0.741452 0.820578 0.731370 11.00000 0.08965 0.10386 = 0.05699 0.02318 0.01025 0.03441 AFIX 43 H01E 2 0.758412 0.775112 0.716415 11.00000 -1.20000 AFIX 0 C01F 1 0.852787 0.313455 1.431713 11.00000 0.08252 0.10418 = 0.06858 0.02433 -0.00620 0.01005 C01G 1 0.856205 0.813952 1.109949 11.00000 0.07487 0.11641 = 0.06346 0.01840 0.00637 0.01369 C01H 1 0.609208 0.831060 0.424882 11.00000 0.07559 0.11330 = 0.06336 0.02861 0.01750 0.03695 C01I 1 0.856160 0.563594 0.896670 11.00000 0.06893 0.11343 = 0.06490 0.02530 0.00632 0.01463 C01J 1 0.640359 0.835177 0.493390 11.00000 0.06824 0.11536 = 0.05304 0.02001 0.00515 0.02559 C01K 1 0.843406 0.499223 0.849255 11.00000 0.07044 0.11593 = 0.06587 0.02736 0.00444 0.02217 C01L 1 0.698689 1.026982 0.903191 11.00000 0.08310 0.08863 = 0.06432 0.01015 0.00349 0.02114 AFIX 23 H01A 2 0.650960 1.019311 0.931292 11.00000 -1.20000 H01B 2 0.750704 1.056244 0.933462 11.00000 -1.20000 AFIX 0 C01M 1 0.802572 0.925556 1.116174 11.00000 0.08116 0.12061 = 0.05511 0.02479 0.00621 0.02517 N01N 4 0.892095 0.264789 0.915963 11.00000 0.18270 0.12153 = 0.07125 0.01975 -0.00524 0.03324 C01O 1 0.797146 0.896062 1.044803 11.00000 0.08437 0.11739 = 0.05596 0.02484 0.00990 0.01649 C01Q 1 0.523768 0.849215 0.400625 11.00000 0.08097 0.11433 = 0.05187 0.02304 0.01079 0.03490 C01R 1 0.693631 0.846282 0.614033 11.00000 0.10008 0.12559 = 0.05035 0.03687 0.01001 0.05207 C01S 1 0.657535 0.744497 0.189511 11.00000 0.08097 0.10520 = 0.06829 0.01089 0.01552 0.00643 C01T 1 0.707811 0.862969 0.687654 11.00000 0.10279 0.08592 = 0.06274 0.01071 0.01537 0.03718 C01U 1 0.858641 0.368612 0.854746 11.00000 0.07119 0.11689 = 0.05884 0.01365 0.00863 0.01711 C01V 1 0.838197 0.799701 0.602837 11.00000 0.08398 0.11019 = 0.05844 0.02344 0.01313 0.04017 C01W 1 0.892240 0.755554 1.130971 11.00000 0.08737 0.10524 = 0.07735 0.02626 -0.00052 0.01861 AFIX 43 H01W 2 0.904761 0.716716 1.099553 11.00000 -1.20000 AFIX 0 C01Y 1 0.779441 0.987777 1.144960 11.00000 0.10249 0.10812 = 0.05521 0.02036 0.01341 0.02474 C01Z 1 0.700803 0.464179 1.305044 11.00000 0.06682 0.12518 = 0.10093 0.03635 -0.01370 0.03233 AFIX 13 H01Z 2 0.677853 0.420496 1.268947 11.00000 -1.20000 AFIX 0 C020 1 0.741637 1.039435 1.107036 11.00000 0.10748 0.13734 = 0.06165 0.01254 0.01628 0.02501 F20 3 0.465042 0.868988 -0.306929 11.00000 0.20860 0.21303 = 0.20454 0.04028 0.02784 0.03109 C021 1 0.626523 0.810153 0.200489 11.00000 0.07694 0.09718 = 0.06860 0.01529 0.01080 0.01021 C022 1 0.777088 0.384423 1.365486 11.00000 0.07048 0.11425 = 0.07486 0.02121 -0.00837 0.00698 C023 1 0.942585 0.262890 1.133124 11.00000 0.08741 0.08269 = 0.07572 0.01224 0.00779 0.01352 AFIX 23 H02N 2 0.895518 0.256172 1.161960 11.00000 -1.20000 H02P 2 0.998385 0.284001 1.163084 11.00000 -1.20000 AFIX 0 F23 3 0.817236 0.691568 0.787874 11.00000 0.17841 0.14731 = 0.08550 0.04048 0.00962 0.07072 C024 1 0.876380 0.311096 0.888864 11.00000 0.09924 0.10877 = 0.06956 0.01042 0.00703 0.01204 C24 1 0.859257 0.438503 0.886003 11.00000 0.06082 0.12107 = 0.05493 0.03219 0.00747 0.00829 C025 1 0.671145 1.071201 0.852092 11.00000 0.08861 0.09449 = 0.07148 0.01460 0.00801 0.03100 AFIX 23 H02A 2 0.615282 1.044997 0.824779 11.00000 -1.20000 H02B 2 0.715931 1.075629 0.821055 11.00000 -1.20000 AFIX 0 O25 5 0.893745 0.594119 1.018500 11.00000 0.09409 0.11090 = 0.06868 0.02763 0.00449 0.02787 C026 1 0.853710 0.872414 1.225417 11.00000 0.09685 0.10095 = 0.07567 0.02253 0.00671 0.00912 AFIX 43 H026 2 0.840514 0.910330 1.257499 11.00000 -1.20000 AFIX 0 C26 1 0.954482 0.523555 1.273737 11.00000 0.06825 0.10637 = 0.05065 0.01986 0.00385 0.01629 AFIX 43 H26 2 0.961990 0.573947 1.292451 11.00000 -1.20000 AFIX 0 C027 1 0.731201 0.527039 1.273230 11.00000 0.10020 0.13664 = 0.12777 0.05112 -0.00405 0.04436 AFIX 137 H02Q 2 0.757672 0.568981 1.308532 11.00000 -1.50000 H02R 2 0.681249 0.539280 1.245999 11.00000 -1.50000 H02S 2 0.774904 0.514674 1.243995 11.00000 -1.50000 AFIX 0 C27 1 0.929101 0.438578 1.427368 11.00000 0.05784 0.09697 = 0.05118 0.01822 0.00116 0.00938 C028 1 0.888347 0.815065 1.245651 11.00000 0.09839 0.11653 = 0.06132 0.01818 0.00010 0.01761 O28 5 0.926944 0.308522 1.474017 11.00000 0.08654 0.10294 = 0.06522 0.02869 0.00101 0.02486 C029 1 0.921909 0.314193 1.085941 11.00000 0.10293 0.09465 = 0.05715 0.01440 0.00663 0.02662 AFIX 23 H02T 2 0.863814 0.293889 1.058942 11.00000 -1.20000 H02U 2 0.965789 0.315537 1.053989 11.00000 -1.20000 AFIX 0 O29 5 0.779180 0.450850 1.346893 11.00000 0.07312 0.10253 = 0.06668 0.02424 -0.00795 0.02024 C02B 1 0.831305 0.825084 1.040878 11.00000 0.07863 0.10170 = 0.08328 0.02990 0.02108 0.01946 C02C 1 0.721408 0.809829 0.505218 11.00000 0.08534 0.10526 = 0.05661 0.01790 0.01119 0.02822 C02D 1 0.794169 1.014283 1.216166 11.00000 0.10947 0.12093 = 0.08230 0.02888 0.02539 0.04468 C02E 1 0.838858 0.872665 1.156453 11.00000 0.08643 0.10977 = 0.05394 0.02416 -0.01434 0.00245 C02F 1 0.752277 0.817332 0.574611 11.00000 0.06602 0.10272 = 0.05908 0.02861 0.00942 0.03039 C02G 1 0.926406 0.710394 0.632351 11.00000 0.08953 0.14738 = 0.07746 0.03568 0.01150 0.04290 AFIX 43 H02G 2 0.933832 0.661260 0.631992 11.00000 -1.20000 AFIX 0 C02H 1 0.844501 0.345613 0.781700 11.00000 0.09687 0.13223 = 0.06231 0.01535 0.00922 0.01724 C02I 1 0.627727 0.762251 0.080144 11.00000 0.08952 0.09005 = 0.08904 0.01529 0.01278 0.01523 C02J 1 0.638004 1.192376 0.829151 11.00000 0.08582 0.10163 = 0.08706 0.03022 0.02011 0.02636 AFIX 23 H02C 2 0.686311 1.196031 0.801137 11.00000 -1.20000 H02D 2 0.583837 1.167000 0.799038 11.00000 -1.20000 AFIX 0 C02K 1 0.925196 0.243467 1.508085 11.00000 0.11555 0.12707 = 0.07969 0.05176 0.00859 0.03821 AFIX 13 H02V 2 0.906298 0.198188 1.473162 11.00000 -1.20000 AFIX 0 C02L 1 0.779043 0.602211 0.552703 11.00000 0.11562 0.11875 = 0.07822 0.02171 0.00144 0.03967 AFIX 13 H02L 2 0.813879 0.583022 0.588445 11.00000 -1.20000 AFIX 0 C02M 1 0.950547 0.188517 1.092420 11.00000 0.09219 0.07972 = 0.08787 0.01889 0.00198 0.02043 AFIX 23 H02 2 0.893935 0.166510 1.063901 11.00000 -1.20000 H 2 0.995831 0.195553 1.062117 11.00000 -1.20000 AFIX 0 C02N 1 0.821086 0.595399 0.489029 11.00000 0.11997 0.15763 = 0.09552 0.02716 0.01777 0.05554 AFIX 137 H02E 2 0.789669 0.618087 0.455523 11.00000 -1.50000 H02F 2 0.818554 0.543700 0.470712 11.00000 -1.50000 H02H 2 0.882475 0.619964 0.499296 11.00000 -1.50000 AFIX 0 C02O 1 0.363456 0.882357 0.354835 11.00000 0.07109 0.15137 = 0.09262 0.03529 0.00802 0.03587 AFIX 43 H02O 2 0.308963 0.894271 0.338214 11.00000 -1.20000 AFIX 0 C02P 1 0.667804 0.510459 0.068157 11.00000 0.11054 0.11093 = 0.11083 0.01934 0.01545 0.01949 AFIX 23 H02I 2 0.704452 0.503738 0.109292 11.00000 -1.20000 H02J 2 0.706379 0.516243 0.032795 11.00000 -1.20000 AFIX 0 C02Q 1 0.907745 0.758439 1.198513 11.00000 0.09875 0.14704 = 0.08968 0.06629 -0.00710 0.00925 C02R 1 0.825039 0.629243 0.810527 11.00000 0.13759 0.11938 = 0.08165 0.04646 0.01489 0.04780 C02S 1 0.811904 0.564342 0.762581 11.00000 0.14997 0.13491 = 0.04922 0.03793 -0.00535 0.03982 C02T 1 0.662496 0.714490 0.121456 11.00000 0.09184 0.09226 = 0.09167 0.01599 0.01276 0.01577 C02U 1 0.518192 0.916053 0.382393 11.00000 0.07571 0.12892 = 0.08890 0.03429 0.01598 0.02954 C02V 1 0.584655 1.387147 0.832458 11.00000 0.08674 0.09774 = 0.13576 0.01004 0.01232 0.01921 AFIX 23 H02K 2 0.640101 1.414977 0.859213 11.00000 -1.20000 H02M 2 0.540583 1.382004 0.863990 11.00000 -1.20000 AFIX 0 C02W 1 0.985748 0.840221 0.658802 11.00000 0.07608 0.12184 = 0.09338 0.01848 -0.00319 0.01798 AFIX 43 H02W 2 1.033746 0.878364 0.677235 11.00000 -1.20000 AFIX 0 C02X 1 0.616310 0.745929 0.007418 11.00000 0.10675 0.10745 = 0.10666 0.01860 0.01488 0.01830 AFIX 43 H02X 2 0.636892 0.702496 -0.008942 11.00000 -1.20000 AFIX 0 C02Y 1 0.364635 0.813909 0.371526 11.00000 0.07562 0.13556 = 0.09975 0.04195 -0.00564 0.02237 AFIX 43 H02Y 2 0.312556 0.778964 0.367716 11.00000 -1.20000 AFIX 0 C02Z 1 0.438531 0.933714 0.361501 11.00000 0.11556 0.14683 = 0.09122 0.04684 0.01964 0.06715 AFIX 43 H02Z 2 0.435207 0.980988 0.351717 11.00000 -1.20000 AFIX 0 C030 1 0.991981 0.767008 0.659874 11.00000 0.10602 0.14694 = 0.07275 0.02264 -0.00215 0.04664 AFIX 43 H030 2 1.044994 0.756441 0.681018 11.00000 -1.20000 AFIX 0 C031 1 0.975143 0.137678 1.139583 11.00000 0.09448 0.09407 = 0.10851 0.02484 0.00595 0.02029 AFIX 23 H03Y 2 0.926965 0.126932 1.166653 11.00000 -1.20000 HA 2 1.028338 0.162077 1.171318 11.00000 -1.20000 AFIX 0 C032 1 0.625732 1.267224 0.857570 11.00000 0.09507 0.10195 = 0.09121 0.02171 0.02215 0.02783 AFIX 23 H03A 2 0.680974 1.293590 0.885678 11.00000 -1.20000 H03B 2 0.579563 1.263699 0.887521 11.00000 -1.20000 AFIX 0 C033 1 0.658855 1.146791 0.882662 11.00000 0.09480 0.11121 = 0.07162 0.02097 0.01340 0.03274 AFIX 23 H03C 2 0.713078 1.171888 0.912854 11.00000 -1.20000 H03D 2 0.610501 1.142650 0.910601 11.00000 -1.20000 AFIX 0 C034 1 0.696868 0.648563 0.098484 11.00000 0.10452 0.10509 = 0.10437 0.01783 0.01499 0.01801 AFIX 23 H03E 2 0.744379 0.643586 0.133457 11.00000 -1.20000 H03F 2 0.723037 0.654192 0.056638 11.00000 -1.20000 AFIX 0 C035 1 0.599977 1.311494 0.803123 11.00000 0.08917 0.11163 = 0.11248 0.02356 0.01384 0.01385 AFIX 23 H03G 2 0.647060 1.316452 0.774090 11.00000 -1.20000 H03H 2 0.545775 1.284400 0.774077 11.00000 -1.20000 AFIX 0 C036 1 0.820547 0.501209 0.781526 11.00000 0.09996 0.12916 = 0.06822 0.02319 0.00725 0.00016 AFIX 43 H036 2 0.811083 0.457727 0.748753 11.00000 -1.20000 AFIX 0 C037 1 0.447680 0.799319 0.394464 11.00000 0.08003 0.11302 = 0.07957 0.02983 -0.00202 0.01937 C038 1 0.906220 0.854994 0.629577 11.00000 0.09509 0.09808 = 0.08688 0.01721 0.00184 0.02834 C039 1 0.781995 0.251754 1.409600 11.00000 0.11384 0.11509 = 0.11891 0.04390 -0.02500 -0.00967 AFIX 43 H039 2 0.784661 0.206057 1.423287 11.00000 -1.20000 AFIX 0 C03A 1 1.020253 0.247736 1.537062 11.00000 0.10115 0.14763 = 0.08745 0.04935 0.01202 0.04412 AFIX 137 H03Z 2 1.055748 0.242378 1.499977 11.00000 -1.50000 HB 2 1.024929 0.208544 1.563280 11.00000 -1.50000 HC 2 1.041556 0.295048 1.566669 11.00000 -1.50000 AFIX 0 C03B 1 0.553213 1.431326 0.779869 11.00000 0.12995 0.10564 = 0.14826 0.03565 -0.01159 0.02572 AFIX 137 H03I 2 0.595003 1.435087 0.747115 11.00000 -1.50000 H03J 2 0.549149 1.480303 0.802698 11.00000 -1.50000 H03K 2 0.495360 1.406865 0.756132 11.00000 -1.50000 AFIX 0 C03C 1 0.583470 0.777169 -0.043519 11.00000 0.10828 0.10891 = 0.10768 0.01887 0.01531 0.01836 C03D 1 0.629711 0.579779 0.084399 11.00000 0.11037 0.11074 = 0.11045 0.01924 0.01566 0.01917 AFIX 23 H03L 2 0.585851 0.582290 0.045738 11.00000 -1.20000 H03M 2 0.598693 0.576986 0.124447 11.00000 -1.20000 AFIX 0 C03E 1 1.053203 -0.050702 1.111592 11.00000 0.08768 0.09378 = 0.13830 0.00239 0.02393 0.00875 AFIX 23 H03 2 1.000969 -0.080631 1.082078 11.00000 -1.20000 HD 2 1.098900 -0.038931 1.082639 11.00000 -1.20000 AFIX 0 C03F 1 0.710509 0.262362 1.367752 11.00000 0.10943 0.12978 = 0.13893 0.05110 -0.04370 -0.02257 AFIX 43 H0AA 2 0.662339 0.223308 1.353494 11.00000 -1.20000 AFIX 0 C03H 1 0.863836 0.243728 1.560205 11.00000 0.09286 0.17834 = 0.11323 0.05839 0.01702 0.01332 AFIX 137 H1AA 2 0.879045 0.289821 1.592477 11.00000 -1.50000 HE 2 0.868821 0.202993 1.584399 11.00000 -1.50000 HF 2 0.803465 0.238541 1.537866 11.00000 -1.50000 AFIX 0 C03I 1 0.629990 0.476096 1.351995 11.00000 0.08464 0.19171 = 0.11559 0.02042 0.00414 0.02638 AFIX 137 H2AA 2 0.655865 0.512712 1.392096 11.00000 -1.50000 HG 2 0.607886 0.430007 1.366113 11.00000 -1.50000 HH 2 0.581469 0.493099 1.327445 11.00000 -1.50000 AFIX 0 C03J 1 0.611151 1.076214 0.453206 11.00000 0.18394 0.13281 = 0.09659 0.01241 -0.00794 0.04430 AFIX 137 H03N 2 0.625568 1.101977 0.416168 11.00000 -1.50000 H03O 2 0.641828 1.104926 0.496393 11.00000 -1.50000 H03P 2 0.547682 1.069457 0.454290 11.00000 -1.50000 AFIX 0 C03K 1 0.706623 0.328065 1.345827 11.00000 0.11896 0.12067 = 0.11064 0.04146 -0.03073 0.00614 AFIX 43 H3AA 2 0.656169 0.334179 1.317678 11.00000 -1.20000 AFIX 0 C03L 1 0.638733 1.004592 0.442347 11.00000 0.10939 0.17050 = 0.08250 0.04198 0.02190 0.05841 AFIX 13 H03Q 2 0.626680 0.977796 0.480330 11.00000 -1.20000 AFIX 0 C03M 1 0.684064 0.565161 0.543335 11.00000 0.12207 0.13246 = 0.12640 0.03411 0.03165 0.01015 AFIX 137 H03R 2 0.672475 0.543038 0.583045 11.00000 -1.50000 H03S 2 0.672271 0.527184 0.502713 11.00000 -1.50000 H03T 2 0.645916 0.601258 0.538177 11.00000 -1.50000 AFIX 0 C03N 1 0.992634 0.066141 1.100671 11.00000 0.08885 0.09460 = 0.13502 0.02298 0.00716 0.02929 AFIX 23 H4AA 2 0.937109 0.038669 1.073760 11.00000 -1.20000 HI 2 1.034543 0.077333 1.068666 11.00000 -1.20000 AFIX 0 C03O 1 1.086941 -0.093968 1.162905 11.00000 0.09476 0.09630 = 0.20414 0.03658 -0.00948 0.02121 AFIX 137 H5AA 2 1.115684 -0.131853 1.140340 11.00000 -1.50000 HJ 2 1.037746 -0.116800 1.183134 11.00000 -1.50000 HK 2 1.129256 -0.061286 1.198491 11.00000 -1.50000 AFIX 0 C03P 1 0.385475 0.697897 0.444926 11.00000 0.13912 0.13993 = 0.15150 0.03807 0.00398 0.02211 AFIX 13 H03U 2 0.345457 0.731275 0.461647 11.00000 -1.20000 AFIX 0 C03Q 1 0.679675 0.274067 0.100945 11.00000 0.13375 0.13376 = 0.13368 0.02333 0.01883 0.02322 AFIX 43 H03V 2 0.677711 0.242022 0.059268 11.00000 -1.20000 AFIX 0 C03R 1 1.029001 0.019354 1.146134 11.00000 0.08206 0.09918 = 0.16398 0.03439 -0.01068 0.01798 AFIX 23 H6AA 2 0.985272 0.006627 1.176372 11.00000 -1.20000 HL 2 1.082052 0.048652 1.175109 11.00000 -1.20000 AFIX 0 C03U 1 0.552139 0.841788 -0.035263 11.00000 0.12004 0.12070 = 0.11998 0.02144 0.01635 0.02046 C03X 1 0.597478 0.441849 0.043412 11.00000 0.13533 0.13562 = 0.13557 0.02370 0.01898 0.02369 AFIX 23 H03W 2 0.569318 0.444391 -0.002444 11.00000 -1.20000 H03X 2 0.551732 0.442317 0.073798 11.00000 -1.20000 AFIX 0 C040 1 0.951876 0.984219 0.642350 11.00000 0.14228 0.14001 = 0.13330 0.03065 0.01219 0.02340 AFIX 13 H040 2 0.983912 0.986920 0.688727 11.00000 -1.20000 AFIX 0 C041 1 0.658248 0.350299 0.104788 11.00000 0.13284 0.13311 = 0.13306 0.02309 0.01851 0.02333 AFIX 23 H04A 2 0.611063 0.354913 0.133458 11.00000 -1.20000 H04B 2 0.710787 0.385953 0.127360 11.00000 -1.20000 AFIX 0 C042 1 1.015970 0.987136 0.592663 11.00000 0.15587 0.18594 = 0.16853 0.05855 0.04167 0.00943 AFIX 137 H04C 2 1.057286 0.954157 0.600888 11.00000 -1.50000 H04D 2 1.048259 1.037069 0.597940 11.00000 -1.50000 H04E 2 0.984472 0.972097 0.546518 11.00000 -1.50000 AFIX 0 C043 1 0.630881 0.368887 0.040362 11.00000 0.15313 0.15323 = 0.15308 0.02686 0.02130 0.02664 AFIX 23 H04F 2 0.583642 0.329480 0.015269 11.00000 -1.20000 H04G 2 0.680995 0.370556 0.014087 11.00000 -1.20000 AFIX 0 C044 1 0.736220 1.018278 0.436614 11.00000 0.12155 0.18834 = 0.17180 -0.01470 0.02705 0.01834 AFIX 137 H04H 2 0.754410 0.972043 0.419815 11.00000 -1.50000 H04I 2 0.769480 1.039499 0.481302 11.00000 -1.50000 H04J 2 0.747602 1.052115 0.405030 11.00000 -1.50000 AFIX 0 C045 1 0.905629 1.048210 0.641657 11.00000 0.14711 0.14556 = 0.18767 0.01200 0.00627 0.03554 AFIX 137 H04K 2 0.867128 1.041795 0.598506 11.00000 -1.50000 H04L 2 0.949028 1.093008 0.646932 11.00000 -1.50000 H04M 2 0.870492 1.051671 0.679079 11.00000 -1.50000 AFIX 0 C046 1 0.703652 0.254131 0.167037 11.00000 0.15508 0.15517 = 0.15597 0.02701 0.02100 0.02817 AFIX 137 H04N 2 0.711150 0.202954 0.160673 11.00000 -1.50000 H04O 2 0.657104 0.260848 0.195163 11.00000 -1.50000 H04P 2 0.758740 0.285254 0.189488 11.00000 -1.50000 AFIX 0 C047 1 0.343152 0.638592 0.395428 11.00000 0.22773 0.20062 = 0.16965 0.06870 -0.00021 0.01381 AFIX 137 H04Q 2 0.316902 0.656483 0.356211 11.00000 -1.50000 H04R 2 0.297064 0.609531 0.414149 11.00000 -1.50000 H04S 2 0.385853 0.608235 0.381264 11.00000 -1.50000 AFIX 0 C048 1 0.433819 0.666367 0.501599 11.00000 0.25595 0.23222 = 0.17802 0.08539 0.01851 0.01602 AFIX 137 H04T 2 0.466003 0.629695 0.481364 11.00000 -1.50000 H04U 2 0.391009 0.643661 0.527558 11.00000 -1.50000 H04V 2 0.475117 0.705739 0.531834 11.00000 -1.50000 AFIX 0 N4 4 0.557746 0.645733 -0.277488 11.00000 0.31682 0.31665 = 0.31591 0.05563 0.04417 0.05433 C5 1 0.577957 0.659262 -0.219287 11.00000 0.26585 0.26592 = 0.26570 0.04685 0.03689 0.04619 HKLF 4 REM cu_20240308YSN_H_0m_a.res in P-1 REM R1 = 0.1847 for 10035 Fo > 4sig(Fo) and 0.2413 for all 20079 data REM 1408 parameters refined using 234 restraints END WGHT 0.2000 0.0000 REM Highest difference peak 1.157, deepest hole -0.839, 1-sigma level 0.112 Q1 1 0.6815 0.8049 0.8648 11.00000 0.05 1.16 Q2 1 0.6649 0.8773 0.4188 11.00000 0.05 1.15 Q3 1 0.4810 0.8327 -0.3140 11.00000 0.05 1.09 Q4 1 0.5505 0.7805 0.5704 11.00000 0.05 1.05 Q5 1 0.5242 0.8659 0.1276 11.00000 0.05 1.04 Q6 1 0.4384 0.9105 -0.2989 11.00000 0.05 1.04 Q7 1 0.4274 1.0258 -0.2087 11.00000 0.05 0.92 Q8 1 0.4386 0.9268 -0.2362 11.00000 0.05 0.91 Q9 1 0.4490 1.2871 0.7466 11.00000 0.05 0.90 Q10 1 0.6022 0.6176 -0.2732 11.00000 0.05 0.82 Q11 1 0.6834 1.0171 0.5147 11.00000 0.05 0.81 Q12 1 0.4982 0.8342 -0.2373 11.00000 0.05 0.75 Q13 1 0.5250 0.9326 0.0191 11.00000 0.05 0.73 Q14 1 0.6779 0.8892 0.5645 11.00000 0.05 0.73 Q15 1 0.4744 0.9613 -0.1152 11.00000 0.05 0.71 Q16 1 0.4720 0.8890 -0.2178 11.00000 0.05 0.67 Q17 1 0.5503 0.6878 -0.2201 11.00000 0.05 0.65 Q18 1 0.6399 0.6111 -0.0972 11.00000 0.05 0.63 Q19 1 0.5618 0.8081 -0.0431 11.00000 0.05 0.63 Q20 1 0.6047 0.6552 -0.1349 11.00000 0.05 0.63 ; _shelx_res_checksum 94679 _shelx_hkl_file ; -1 0 0 129.99 42.00 -1 0 0 124.99 42.00 1 0 0 147.09 42.00 1 0 0 144.69 42.00 1 0 0 161.58 42.00 -2 0 0 19.40 6.30 -2 0 0 21.80 6.40 2 0 0 21.90 6.30 -3 0 0 1092.59 302.17 3 0 0 945.61 302.07 -4 0 0 2272.47 656.63 -4 0 0 2183.18 656.53 4 0 0 2183.08 656.53 -5 0 0 77.89 21.10 -5 0 0 63.89 21.10 -5 0 0 68.69 21.00 5 0 0 70.19 21.00 -6 0 0 592.54 161.08 -6 0 0 494.65 160.88 -6 0 0 519.75 160.98 -6 0 0 577.54 161.08 6 0 0 536.85 160.88 -7 0 0 534.35 141.09 -7 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7.50 -15 7 0 11.30 9.00 14 -7 0 4.40 7.40 14 -7 0 -1.50 3.00 -14 7 0 0.10 3.70 -14 7 0 0.00 20.70 -14 7 0 6.70 7.60 -14 7 0 -8.80 6.40 13 -7 0 2.90 3.80 13 -7 0 13.30 7.30 -13 7 0 -10.20 6.70 -13 7 0 8.60 9.50 -13 7 0 -7.10 21.00 -13 7 0 8.90 8.30 -13 7 0 10.10 4.60 12 -7 0 213.98 62.79 12 -7 0 232.58 62.19 -12 7 0 195.68 71.39 -12 7 0 134.89 63.09 -12 7 0 193.28 62.69 -12 7 0 232.08 63.59 -12 7 0 213.98 62.39 11 -7 0 53.59 13.00 11 -7 0 30.00 12.00 -11 7 0 32.30 13.00 -11 7 0 33.30 13.90 -11 7 0 33.50 12.70 -11 7 0 94.99 25.50 10 -7 0 122.19 34.10 10 -7 0 89.29 33.60 -10 7 0 103.29 34.80 -10 7 0 129.39 33.80 -10 7 0 132.79 34.00 -10 7 0 64.89 34.70 9 -7 0 121.59 33.70 9 -7 0 115.19 33.40 -9 7 0 106.59 33.60 -9 7 0 104.49 34.40 -9 7 0 97.99 33.90 8 -7 0 144.89 37.20 -8 7 0 121.99 37.00 -8 7 0 110.79 37.40 -8 7 0 104.59 37.60 7 -7 0 365.86 104.09 -7 7 0 343.67 104.39 -7 7 0 337.97 104.19 6 -7 0 163.08 40.70 -6 7 0 124.09 40.60 -6 7 0 89.19 41.60 -6 7 0 137.29 40.90 5 -7 0 455.55 125.19 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39.70 -9 8 0 151.08 40.80 8 -8 0 456.25 122.49 -8 8 0 390.16 122.39 -8 8 0 376.06 122.59 -8 8 0 431.36 122.89 -7 8 0 106.99 36.50 -7 8 0 134.29 37.20 -7 8 0 137.69 36.90 6 -8 0 632.74 172.68 -6 8 0 602.94 172.98 -6 8 0 567.24 172.78 -6 8 0 528.45 172.58 5 -8 0 3.80 3.40 -5 8 0 -1.10 4.10 -5 8 0 3.60 3.00 -5 8 0 -1.60 3.50 4 -8 0 41.10 15.30 -4 8 0 59.29 15.70 3 -8 0 390.66 116.29 -3 8 0 393.96 116.29 -3 8 0 388.66 116.49 2 -8 0 7.80 3.40 -2 8 0 -0.30 3.30 -2 8 0 0.80 3.30 1 -8 0 187.28 49.10 -1 8 0 144.19 49.30 -1 8 0 153.18 49.10 0 -8 0 1114.19 327.47 0 8 0 1112.89 327.47 0 8 0 1079.49 327.67 -1 -8 0 162.58 51.99 1 8 0 183.48 52.69 1 8 0 183.08 51.99 -2 -8 0 961.30 288.97 -2 -8 0 1003.80 289.07 2 8 0 957.50 288.87 -3 -8 0 18.50 6.00 -3 -8 0 16.60 6.80 -4 -8 0 13.00 4.90 4 8 0 7.90 4.60 5 8 0 439.46 130.59 -6 -8 0 0.20 4.30 6 8 0 2.40 4.40 -7 -8 0 6.60 5.20 -7 -8 0 6.50 3.40 7 8 0 5.50 5.40 -8 -8 0 4.90 6.10 -8 -8 0 8.40 3.80 -8 -8 0 13.30 6.10 -9 -8 0 27.40 6.80 -9 -8 0 48.50 36.00 -9 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10 0 18.30 20.10 11 -10 0 53.09 13.70 11 -10 0 23.20 12.10 11 -10 0 23.80 13.00 -11 10 0 55.39 12.50 -11 10 0 16.90 14.00 -11 10 0 102.89 24.60 -11 10 0 34.60 14.80 10 -10 0 16.90 7.60 10 -10 0 15.30 6.50 10 -10 0 9.40 5.70 -10 10 0 18.90 17.90 -10 10 0 13.10 9.20 -10 10 0 12.10 8.30 -10 10 0 18.60 9.40 9 -10 0 160.08 45.50 9 -10 0 140.49 45.00 9 -10 0 139.39 45.20 -9 10 0 150.88 46.10 -9 10 0 139.49 45.20 -9 10 0 173.68 45.10 -9 10 0 162.98 45.70 -9 10 0 134.19 45.50 8 -10 0 18.40 10.20 8 -10 0 24.70 10.50 -8 10 0 53.79 11.80 -8 10 0 15.10 11.20 -8 10 0 21.90 10.30 -8 10 0 34.00 12.00 -8 10 0 43.40 10.70 7 -10 0 53.29 14.70 7 -10 0 26.70 13.60 -7 10 0 46.10 14.60 -7 10 0 45.00 13.70 -7 10 0 34.70 14.80 -7 10 0 54.09 14.10 -6 10 0 129.79 33.80 -6 10 0 111.09 34.10 -6 10 0 98.29 33.30 5 -10 0 147.69 36.60 -5 10 0 124.99 36.90 -5 10 0 96.89 36.40 4 -10 0 64.79 20.50 -4 10 0 56.89 20.60 -4 10 0 76.89 20.80 3 -10 0 19.50 6.10 -3 10 0 11.90 6.50 -3 10 0 12.10 6.20 2 -10 0 133.09 40.80 -2 10 0 146.99 41.30 -2 10 0 133.49 40.80 1 -10 0 1.60 3.60 -1 10 0 -0.20 3.80 -1 10 0 9.00 5.00 0 -10 0 186.58 53.79 0 10 0 173.38 53.79 -1 -10 0 52.39 15.90 -2 -10 0 -2.20 2.20 2 10 0 -4.80 3.70 3 10 0 190.48 56.99 -4 -10 0 27.90 14.30 -4 -10 0 54.69 13.80 -5 -10 0 -2.90 4.30 -5 -10 0 -1.30 2.70 5 10 0 -4.30 5.80 -6 -10 0 10.80 4.10 -6 -10 0 6.80 6.00 6 10 0 10.20 6.10 -7 -10 0 11.60 6.80 -7 -10 0 11.40 4.50 -8 -10 0 22.80 7.40 -8 -10 0 8.20 6.60 -8 -10 0 9.50 5.00 8 10 0 18.90 7.30 -9 -10 0 22.20 9.40 -9 -10 0 22.70 7.10 -9 -10 0 13.20 8.80 9 10 0 31.90 10.50 -10 -10 0 20.70 9.40 -10 -10 0 17.40 10.20 10 10 0 33.70 10.30 -11 -10 0 7.00 5.50 -11 -10 0 0.00 4.70 -12 -10 0 1.90 5.10 -12 -10 0 0.50 4.00 -13 -10 0 7.00 3.90 -13 -10 0 1.30 3.60 -14 -10 0 -0.60 2.20 -14 -10 0 -0.70 3.30 17 -11 0 -0.50 2.10 -17 11 0 1.70 2.10 16 -11 0 -2.40 2.10 -16 11 0 2.10 2.90 15 -11 0 5.70 3.40 -15 11 0 9.30 4.10 14 -11 0 13.80 6.50 -14 11 0 8.50 8.10 -14 11 0 28.80 6.90 13 -11 0 0.30 3.50 13 -11 0 -2.70 5.40 13 -11 0 -2.20 7.30 -13 11 0 6.90 4.60 -13 11 0 -7.30 6.60 -13 11 0 -2.70 9.10 12 -11 0 8.50 6.40 12 -11 0 11.60 4.80 -12 11 0 -2.00 8.10 -12 11 0 16.40 10.20 11 -11 0 172.38 50.09 11 -11 0 167.08 49.90 11 -11 0 142.29 50.99 -11 11 0 242.08 53.69 10 -11 0 69.89 25.10 10 -11 0 94.19 26.30 -10 11 0 75.69 26.80 -10 11 0 96.19 25.50 9 -11 0 18.30 7.20 9 -11 0 0.30 5.60 9 -11 0 4.30 5.00 -9 11 0 10.40 5.80 -9 11 0 1.20 7.30 -9 11 0 16.30 8.70 -9 11 0 13.20 5.20 8 -11 0 6.70 5.50 8 -11 0 2.10 3.70 8 -11 0 -3.50 4.20 -8 11 0 1.80 9.70 -8 11 0 -4.20 6.80 -8 11 0 -5.90 5.10 -8 11 0 5.40 4.30 -8 11 0 6.40 3.60 7 -11 0 -0.40 4.50 7 -11 0 4.30 3.80 7 -11 0 23.60 6.70 -7 11 0 5.10 4.30 -7 11 0 -1.60 3.40 -7 11 0 -1.10 6.00 -7 11 0 2.40 6.20 -7 11 0 2.00 4.80 6 -11 0 25.40 15.50 6 -11 0 64.69 16.10 6 -11 0 42.00 15.40 -6 11 0 57.59 15.40 -6 11 0 48.40 15.50 -6 11 0 49.10 16.60 -6 11 0 55.49 16.20 5 -11 0 45.60 17.70 5 -11 0 75.09 18.30 -5 11 0 59.89 18.80 -5 11 0 49.80 17.90 -5 11 0 60.29 18.60 4 -11 0 -7.10 4.00 -4 11 0 1.90 5.20 -4 11 0 20.10 5.40 3 -11 0 16.30 6.40 -3 11 0 13.20 7.00 -3 11 0 15.60 6.70 2 -11 0 31.20 8.50 -2 11 0 10.30 8.80 -2 11 0 22.70 8.50 1 -11 0 27.30 7.60 -1 11 0 12.80 7.30 0 11 0 162.38 48.80 -1 -11 0 44.70 13.50 1 11 0 42.00 13.70 2 11 0 104.29 31.70 -3 -11 0 -3.90 4.40 -3 -11 0 1.00 4.80 3 11 0 0.20 5.00 -4 -11 0 0.20 4.30 -4 -11 0 4.10 2.90 4 11 0 -2.90 5.50 -5 -11 0 4.40 5.50 -5 -11 0 6.10 3.40 -6 -11 0 11.60 5.70 -6 -11 0 15.90 7.30 6 11 0 24.70 8.00 -7 -11 0 70.59 23.70 -7 -11 0 70.99 22.80 7 11 0 87.19 24.00 -8 -11 0 2.60 4.90 -8 -11 0 -0.30 2.00 -8 -11 0 -0.20 5.30 -9 -11 0 1.70 4.90 -9 -11 0 -8.60 5.90 9 11 0 12.50 6.30 -10 -11 0 -1.20 4.20 -10 -11 0 6.10 5.40 10 11 0 -13.90 6.60 -11 -11 0 3.80 4.10 -11 -11 0 -0.50 5.50 -12 -11 0 6.30 4.80 -12 -11 0 4.90 4.00 -13 -11 0 1.60 3.30 -13 -11 0 2.10 2.50 -14 -11 0 4.50 2.80 -14 -11 0 0.60 2.30 -17 12 0 -1.70 2.10 16 -12 0 -0.60 2.00 -16 12 0 0.50 2.30 15 -12 0 -0.10 2.60 -15 12 0 -1.50 3.10 14 -12 0 3.20 2.90 -14 12 0 3.60 3.90 13 -12 0 11.40 5.50 13 -12 0 7.00 4.20 13 -12 0 16.20 9.30 -13 12 0 8.30 4.60 -13 12 0 3.20 10.20 -13 12 0 3.30 6.80 12 -12 0 6.10 3.70 12 -12 0 4.40 7.40 12 -12 0 -0.10 4.50 -12 12 0 2.80 8.60 -12 12 0 -1.40 7.10 -12 12 0 -2.40 3.70 11 -12 0 17.80 8.10 11 -12 0 12.30 5.30 11 -12 0 5.60 5.90 -11 12 0 12.00 8.30 -11 12 0 18.50 10.10 -11 12 0 4.00 5.70 10 -12 0 216.28 61.49 10 -12 0 175.88 61.29 10 -12 0 236.68 61.89 -10 12 0 177.48 62.89 -10 12 0 207.58 61.49 9 -12 0 39.30 21.00 9 -12 0 69.09 20.60 -9 12 0 70.19 20.60 -9 12 0 90.69 22.70 8 -12 0 507.75 134.49 -8 12 0 486.75 134.59 -8 12 0 409.26 135.09 -8 12 0 389.96 134.19 -8 12 0 454.15 134.19 7 -12 0 8.20 5.60 7 -12 0 0.40 3.90 7 -12 0 -1.60 4.50 -7 12 0 0.90 4.30 -7 12 0 5.10 3.80 -7 12 0 11.40 6.70 -7 12 0 1.20 6.60 6 -12 0 -0.70 6.10 6 -12 0 2.40 4.30 6 -12 0 2.40 3.60 -6 12 0 4.60 6.20 -6 12 0 -4.80 3.10 -6 12 0 1.70 4.00 -6 12 0 2.60 6.00 5 -12 0 12.70 6.80 5 -12 0 27.60 7.70 5 -12 0 19.30 7.10 -5 12 0 16.20 6.50 -5 12 0 17.90 8.50 -5 12 0 17.70 7.00 4 -12 0 9.70 5.40 4 -12 0 8.20 5.20 4 -12 0 5.90 4.70 4 -12 0 4.20 4.30 -4 12 0 9.60 6.10 -4 12 0 7.80 6.90 3 -12 0 39.70 11.40 3 -12 0 29.10 11.90 -3 12 0 37.40 11.60 -3 12 0 16.80 11.90 2 -12 0 1.00 4.80 -2 12 0 6.70 5.30 1 -12 0 103.19 31.20 0 -12 0 68.79 18.20 0 -12 0 49.30 18.10 0 12 0 59.89 18.60 -1 -12 0 1.20 3.30 -1 -12 0 2.70 3.50 1 12 0 2.30 6.90 -2 -12 0 110.99 32.50 -2 -12 0 94.99 32.60 -2 -12 0 110.89 32.50 2 12 0 112.79 33.00 -3 -12 0 7.50 5.90 -3 -12 0 14.50 5.30 -3 -12 0 10.30 5.70 3 12 0 15.80 6.80 -4 -12 0 2.40 5.20 -4 -12 0 7.00 3.90 4 12 0 11.30 6.30 -5 -12 0 109.19 32.80 -5 -12 0 101.19 32.30 5 12 0 115.79 33.10 -6 -12 0 5.60 2.80 -6 -12 0 -1.90 5.30 6 12 0 0.90 6.70 -7 -12 0 -0.70 5.80 -7 -12 0 1.80 2.30 -8 -12 0 10.50 5.80 -8 -12 0 3.30 4.90 -8 -12 0 6.70 2.50 8 12 0 5.00 6.50 -9 -12 0 -5.00 5.50 -9 -12 0 0.10 4.50 9 12 0 1.10 8.60 -10 -12 0 5.00 5.30 -10 -12 0 1.00 4.20 -11 -12 0 3.50 3.70 -11 -12 0 -2.70 4.60 -12 -12 0 2.80 3.80 -12 -12 0 6.00 3.50 -13 -12 0 2.70 2.90 -13 -12 0 -2.10 2.00 16 -13 0 1.70 2.00 -16 13 0 1.40 2.10 15 -13 0 3.60 2.50 -15 13 0 2.50 3.00 14 -13 0 -1.80 2.60 14 -13 0 -1.90 3.80 -14 13 0 -7.00 3.00 13 -13 0 1.90 3.30 13 -13 0 -0.40 4.10 -13 13 0 4.60 3.80 12 -13 0 13.80 7.20 12 -13 0 21.00 8.10 -12 13 0 19.30 13.90 -12 13 0 30.00 7.60 11 -13 0 0.00 3.70 11 -13 0 -5.40 4.80 11 -13 0 9.40 7.30 -11 13 0 4.00 4.30 -11 13 0 9.30 9.30 10 -13 0 15.40 9.10 10 -13 0 48.90 10.90 10 -13 0 5.10 8.60 -10 13 0 27.90 8.90 -10 13 0 36.60 14.00 9 -13 0 12.50 7.60 9 -13 0 22.90 8.30 9 -13 0 33.20 9.70 -9 13 0 14.60 11.20 -9 13 0 18.00 7.70 8 -13 0 2.90 8.70 8 -13 0 9.50 8.10 8 -13 0 49.00 9.60 -8 13 0 32.30 12.00 -8 13 0 4.60 7.80 -8 13 0 30.70 10.90 7 -13 0 135.39 34.30 7 -13 0 96.79 34.40 -7 13 0 115.49 34.80 -7 13 0 92.59 34.30 -7 13 0 148.79 36.90 6 -13 0 -5.10 5.60 6 -13 0 0.30 4.30 6 -13 0 -1.60 4.00 -6 13 0 3.20 6.70 -6 13 0 1.90 4.40 -6 13 0 1.30 7.70 -6 13 0 0.00 3.60 -5 13 0 106.99 32.40 4 -13 0 4.60 4.80 4 -13 0 -1.30 4.40 4 -13 0 18.70 5.60 -4 13 0 2.50 6.20 -4 13 0 6.90 5.10 3 -13 0 9.80 5.90 3 -13 0 4.70 6.00 -3 13 0 27.50 7.60 -3 13 0 14.30 5.80 2 -13 0 421.46 122.59 2 -13 0 463.55 122.59 -2 13 0 357.56 122.79 1 -13 0 5.90 7.00 1 -13 0 15.40 7.20 1 -13 0 25.00 7.20 -1 13 0 26.30 8.30 0 -13 0 107.79 28.30 0 -13 0 98.69 28.40 0 -13 0 74.79 28.30 -1 -13 0 366.96 101.49 -1 -13 0 350.96 101.49 -1 -13 0 338.37 101.49 1 13 0 311.57 101.79 -2 -13 0 -0.20 3.50 -2 -13 0 -1.30 3.50 -2 -13 0 4.60 4.40 2 13 0 2.10 6.00 -3 -13 0 34.90 7.40 -3 -13 0 12.90 6.80 -3 -13 0 18.00 6.60 3 13 0 14.60 8.40 -4 -13 0 43.20 14.00 -4 -13 0 24.70 15.90 4 13 0 56.69 15.50 -5 -13 0 5.80 6.40 -5 -13 0 9.60 4.30 5 13 0 16.30 8.00 -6 -13 0 339.37 93.79 -6 -13 0 299.87 93.39 -7 -13 0 -4.40 5.30 -7 -13 0 -1.00 4.30 -7 -13 0 2.20 1.90 7 13 0 -4.80 6.50 -8 -13 0 -1.10 4.80 -8 -13 0 0.60 5.20 8 13 0 7.10 9.70 -9 -13 0 5.00 4.10 -9 -13 0 -0.10 5.10 -10 -13 0 -2.40 3.20 -10 -13 0 -0.90 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3.60 2.70 -13 -12 3 -0.50 3.80 -13 -12 3 6.00 3.00 -12 -12 3 0.70 4.10 -12 -12 3 3.90 3.30 -11 -12 3 -1.30 3.50 -11 -12 3 1.90 4.90 -10 -12 3 9.20 4.80 -10 -12 3 4.10 5.90 -9 -12 3 1.90 4.60 -9 -12 3 5.10 5.40 -8 -12 3 22.10 8.40 -8 -12 3 14.50 7.80 7 12 -3 5.20 5.30 -7 -12 3 5.30 5.90 -7 -12 3 0.60 5.20 6 12 -3 4.90 5.50 -6 -12 3 -1.80 5.60 -6 -12 3 3.60 3.10 -6 -12 3 11.80 3.20 5 12 -3 133.99 45.80 -5 -12 3 178.08 45.50 -5 -12 3 147.09 45.30 4 12 -3 1.40 4.90 -4 -12 3 -2.50 3.10 -4 -12 3 1.60 2.30 -4 -12 3 -8.60 4.60 3 12 -3 86.79 23.10 -3 -12 3 75.69 21.80 -3 -12 3 64.69 21.60 -3 -12 3 65.19 22.00 2 12 -3 -4.30 4.90 -2 -12 3 0.90 3.10 -2 -12 3 4.80 3.80 -2 -12 3 5.90 4.60 -2 -12 3 -2.10 4.50 1 12 -3 -2.80 4.60 -1 -12 3 2.80 3.40 -1 -12 3 -0.80 3.40 -1 -12 3 5.20 3.10 0 12 -3 26.70 9.90 0 -12 3 29.40 9.00 0 -12 3 24.20 9.10 0 -12 3 31.60 9.10 1 -12 3 61.39 18.40 1 -12 3 58.79 18.40 2 -12 3 5.50 5.40 2 -12 3 11.10 5.60 2 -12 3 21.80 5.70 -4 12 -3 5.40 6.70 4 -12 3 2.00 4.10 4 -12 3 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425.46 137.39 -1 9 -4 148.49 40.70 1 -9 4 122.99 40.60 -2 9 -4 309.77 80.19 2 -9 4 229.28 80.19 -3 9 -4 872.41 258.67 -3 9 -4 851.91 258.87 3 -9 4 886.51 258.67 -4 9 -4 11.30 5.20 -4 9 -4 6.40 5.20 4 -9 4 7.70 5.50 -5 9 -4 6.50 8.10 -5 9 -4 22.30 8.00 5 -9 4 31.00 8.20 -6 9 -4 63.59 22.60 6 -9 4 81.19 22.60 -7 9 -4 52.99 22.10 -7 9 -4 87.69 23.00 -7 9 -4 45.90 22.60 7 -9 4 68.09 22.10 7 -9 4 83.49 23.00 7 -9 4 92.69 22.00 -8 9 -4 6.80 4.70 -8 9 -4 21.30 7.10 -8 9 -4 8.10 6.50 8 -9 4 9.90 4.70 8 -9 4 8.90 5.50 8 -9 4 21.30 11.00 -9 9 -4 81.49 21.70 -9 9 -4 36.00 14.30 -9 9 -4 37.80 12.30 9 -9 4 29.10 12.30 9 -9 4 45.40 13.50 9 -9 4 38.20 12.30 -10 9 -4 41.00 19.70 -10 9 -4 12.30 9.40 -10 9 -4 17.00 10.70 -10 9 -4 32.20 9.70 10 -9 4 38.20 9.30 10 -9 4 18.30 9.30 10 -9 4 34.80 10.70 -11 9 -4 43.10 20.20 -11 9 -4 87.19 28.50 11 -9 4 40.00 19.10 11 -9 4 79.39 20.40 11 -9 4 69.39 18.80 -12 9 -4 6.20 4.50 -12 9 -4 7.70 16.90 -12 9 -4 -1.60 7.40 12 -9 4 20.60 7.80 12 -9 4 11.30 4.30 12 -9 4 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13 -8 4 7.80 4.10 13 -8 4 4.20 5.30 13 -8 4 14.10 7.90 -14 8 -4 25.90 15.40 -14 8 -4 23.90 12.60 -14 8 -4 66.79 28.00 14 -8 4 49.30 12.50 14 -8 4 53.49 15.20 -15 8 -4 39.00 12.40 -15 8 -4 36.00 24.00 -16 8 -4 -2.00 2.60 -16 8 -4 0.00 17.10 16 -8 4 4.10 3.00 -17 8 -4 8.00 2.90 17 -8 4 3.50 2.80 -16 -7 4 14.10 4.80 -16 -7 4 9.40 4.80 -15 -7 4 37.50 10.60 -15 -7 4 23.40 11.10 -14 -7 4 4.30 4.60 -14 -7 4 5.80 4.80 -13 -7 4 0.20 5.40 -13 -7 4 -3.40 5.40 -12 -7 4 18.40 8.30 -12 -7 4 11.30 16.60 -12 -7 4 19.90 8.60 -11 -7 4 5.10 6.40 -11 -7 4 1.40 6.10 -10 -7 4 2.10 5.50 -10 -7 4 3.30 6.10 9 7 -4 112.09 34.70 -9 -7 4 119.29 35.30 -9 -7 4 125.89 35.10 8 7 -4 9.20 4.10 -8 -7 4 7.20 5.30 -8 -7 4 11.70 5.90 7 7 -4 6.40 3.40 -7 -7 4 9.70 4.60 -7 -7 4 1.40 5.20 6 7 -4 5.00 2.90 5 7 -4 15.90 5.30 4 7 -4 286.37 85.09 3 7 -4 95.09 28.50 2 7 -4 236.68 70.39 1 7 -4 133.89 40.00 0 7 -4 20.50 5.90 0 -7 4 16.40 5.80 0 -7 4 14.20 5.90 -1 7 -4 1033.40 280.77 1 -7 4 858.81 280.77 -2 7 -4 360.26 104.09 -2 7 -4 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111.39 34.90 -3 -12 8 80.19 35.40 -3 -12 8 119.79 35.10 -3 -12 8 121.19 35.30 2 12 -8 -3.20 4.00 -2 -12 8 -1.40 1.90 -2 -12 8 0.80 1.50 -2 -12 8 4.40 2.70 -2 -12 8 1.30 3.70 1 12 -8 9.10 4.60 -1 -12 8 4.10 2.00 -1 -12 8 0.20 2.70 -1 -12 8 6.20 2.90 0 12 -8 -1.30 4.40 0 -12 8 -1.30 2.50 0 -12 8 2.60 2.40 0 -12 8 0.10 1.40 -1 12 -8 3.20 4.80 1 -12 8 3.00 1.60 1 -12 8 2.50 3.10 1 -12 8 0.20 2.70 1 -12 8 -2.60 2.70 -2 12 -8 12.50 6.40 2 -12 8 11.40 4.90 2 -12 8 14.40 4.70 2 -12 8 6.40 4.40 2 -12 8 12.70 3.80 -3 12 -8 28.80 8.30 3 -12 8 13.60 6.40 3 -12 8 25.50 6.60 3 -12 8 16.90 5.70 3 -12 8 15.90 6.40 -4 12 -8 21.30 6.30 4 -12 8 13.90 4.20 4 -12 8 -0.50 3.80 4 -12 8 -4.90 4.30 4 -12 8 9.70 4.00 4 -12 8 8.50 2.70 -5 12 -8 331.47 117.29 5 -12 8 464.05 116.99 5 -12 8 422.86 116.99 5 -12 8 431.16 116.99 5 -12 8 337.37 116.89 -6 12 -8 7.10 4.10 -6 12 -8 3.00 6.50 6 -12 8 4.20 4.70 6 -12 8 -3.20 3.20 6 -12 8 -2.30 4.70 6 -12 8 -3.80 5.20 -7 12 -8 9.90 7.60 -7 12 -8 6.20 5.00 7 -12 8 -1.10 4.00 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5.10 -6 -11 8 23.00 10.70 -6 -11 8 41.10 10.50 -6 -11 8 20.70 11.30 5 11 -8 131.79 39.40 -5 -11 8 145.29 39.60 -5 -11 8 131.19 39.80 -5 -11 8 107.29 40.00 4 11 -8 45.40 13.70 -4 -11 8 23.50 14.30 -4 -11 8 38.70 13.50 -4 -11 8 31.80 13.80 -4 -11 8 50.59 13.20 3 11 -8 -2.20 3.30 -3 -11 8 2.60 3.40 -3 -11 8 0.40 2.40 -3 -11 8 3.00 4.90 -3 -11 8 0.40 2.00 2 11 -8 47.70 13.50 -2 -11 8 42.00 13.10 -2 -11 8 49.00 12.60 -2 -11 8 29.90 12.70 -2 -11 8 37.90 12.90 1 11 -8 1.20 4.00 -1 -11 8 -1.90 2.10 -1 -11 8 -0.80 2.20 -1 -11 8 -1.90 1.30 0 11 -8 4.30 4.80 0 -11 8 5.50 3.30 0 -11 8 9.60 2.70 0 -11 8 6.20 3.20 -1 11 -8 83.59 24.10 1 -11 8 86.19 23.50 1 -11 8 70.69 23.30 1 -11 8 46.50 23.70 1 -11 8 98.89 23.50 2 -11 8 14.90 5.70 2 -11 8 14.30 5.70 2 -11 8 27.10 6.90 -3 11 -8 10.00 6.30 3 -11 8 10.40 3.40 3 -11 8 8.30 2.50 3 -11 8 3.60 3.70 3 -11 8 3.10 3.30 3 -11 8 2.70 3.80 -4 11 -8 42.60 12.90 4 -11 8 45.20 12.10 4 -11 8 30.70 12.20 4 -11 8 44.20 11.70 4 -11 8 23.00 12.00 -5 11 -8 -1.20 4.20 -5 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10.30 6.60 -7 7 -9 2.50 5.60 -7 7 -9 -4.60 3.40 7 -7 9 5.80 3.60 7 -7 9 1.40 2.70 -8 7 -9 -1.50 6.10 -8 7 -9 6.90 16.60 -8 7 -9 8.10 4.10 8 -7 9 6.50 4.00 8 -7 9 5.40 7.30 8 -7 9 0.90 3.30 -9 7 -9 1.30 6.10 -9 7 -9 2.70 4.20 -9 7 -9 5.80 19.20 9 -7 9 4.80 3.90 9 -7 9 5.90 8.20 9 -7 9 -4.70 4.20 -10 7 -9 32.80 12.60 -10 7 -9 37.00 14.20 -10 7 -9 62.89 24.30 10 -7 9 50.19 12.50 10 -7 9 32.70 12.30 -11 7 -9 17.50 11.60 -11 7 -9 21.50 9.70 -11 7 -9 30.90 23.40 11 -7 9 21.80 9.50 11 -7 9 46.20 9.60 11 -7 9 29.50 12.80 -12 7 -9 32.50 21.60 -12 7 -9 97.99 18.50 -12 7 -9 81.89 33.50 12 -7 9 34.70 17.90 12 -7 9 60.79 17.90 -13 7 -9 1.00 3.90 -13 7 -9 -1.10 15.90 13 -7 9 1.50 3.60 13 -7 9 -1.70 3.80 -14 7 -9 0.50 14.40 -14 7 -9 1.40 3.30 14 -7 9 -0.90 3.10 14 -7 9 4.40 3.90 -15 7 -9 2.00 12.20 -15 7 -9 9.70 3.60 15 -7 9 0.60 4.40 15 -7 9 5.60 3.50 -16 7 -9 -0.80 10.10 -16 7 -9 0.70 2.00 16 -7 9 2.10 2.30 -16 -6 9 1.10 3.50 -16 -6 9 1.80 2.20 -15 -6 9 -0.30 3.30 -15 -6 9 5.00 4.60 -14 -6 9 -4.40 3.90 -14 -6 9 0.00 5.00 -13 -6 9 41.90 18.20 -13 -6 9 82.39 18.80 -13 -6 9 58.79 17.60 -12 -6 9 11.70 5.50 -12 -6 9 2.10 1.90 -12 -6 9 9.00 4.20 -12 -6 9 8.80 6.40 -11 -6 9 -10.20 5.90 -11 -6 9 1.30 3.50 -11 -6 9 0.20 5.00 -11 -6 9 4.20 3.50 -11 -6 9 15.50 6.40 -10 -6 9 69.19 18.70 -10 -6 9 65.69 17.70 -10 -6 9 53.99 17.70 -10 -6 9 46.20 18.50 -10 -6 9 44.10 18.20 -9 -6 9 23.30 8.40 -9 -6 9 27.90 8.40 -9 -6 9 22.60 9.60 -9 -6 9 20.60 9.30 -9 -6 9 31.70 9.50 -8 -6 9 27.60 11.00 -8 -6 9 35.30 11.60 -8 -6 9 23.80 11.80 -8 -6 9 42.80 11.80 -8 -6 9 39.60 10.90 -7 -6 9 5.20 4.00 -7 -6 9 0.20 2.70 -7 -6 9 2.50 6.00 -7 -6 9 3.00 2.60 -7 -6 9 4.60 4.80 -6 -6 9 130.39 43.60 -6 -6 9 136.89 43.40 -6 -6 9 161.88 43.60 -6 -6 9 150.48 43.50 -5 -6 9 21.00 6.90 -4 -6 9 1.90 2.40 -3 -6 9 279.87 83.19 2 6 -9 252.47 73.19 -2 -6 9 240.58 73.19 1 6 -9 407.76 110.09 -1 -6 9 336.67 109.99 0 6 -9 1105.29 301.57 0 -6 9 926.81 301.57 -1 6 -9 4.90 4.30 1 -6 9 14.50 4.10 -2 6 -9 893.41 261.17 2 -6 9 865.41 261.17 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6 -9 -11.30 14.60 -15 6 -9 -1.40 2.50 -16 6 -9 2.70 2.30 -16 6 -9 -10.30 11.20 16 -6 9 1.60 2.10 -16 -5 9 5.00 3.50 -16 -5 9 -1.30 2.70 -15 -5 9 2.20 3.40 -15 -5 9 -1.10 5.20 -14 -5 9 7.10 6.30 -14 -5 9 0.90 4.60 -14 -5 9 9.10 3.60 -13 -5 9 2.70 3.60 -13 -5 9 12.00 8.40 -13 -5 9 -4.10 4.30 -13 -5 9 3.80 6.10 -12 -5 9 177.38 44.90 -12 -5 9 168.28 45.00 -12 -5 9 124.89 44.20 -11 -5 9 57.49 11.30 -11 -5 9 18.80 6.50 -11 -5 9 13.50 8.20 -11 -5 9 15.40 6.30 -11 -5 9 2.60 7.40 -10 -5 9 -1.00 7.00 -10 -5 9 8.90 4.00 -10 -5 9 9.00 5.60 -10 -5 9 5.10 4.90 -10 -5 9 6.30 6.20 -9 -5 9 -2.60 4.00 -9 -5 9 1.10 2.90 -9 -5 9 -6.20 4.30 -9 -5 9 -2.10 4.70 -9 -5 9 2.00 2.80 -8 -5 9 261.17 70.29 -8 -5 9 217.98 69.99 -8 -5 9 232.18 70.09 -7 -5 9 46.00 12.90 -7 -5 9 21.50 13.20 -7 -5 9 44.30 13.00 -7 -5 9 44.90 13.30 -7 -5 9 45.30 13.40 -6 -5 9 55.29 16.90 -5 -5 9 89.19 26.80 -4 -5 9 34.00 10.60 -3 -5 9 3.90 2.20 -2 -5 9 551.74 163.78 1 5 -9 460.25 135.69 -1 -5 9 453.55 135.59 0 5 -9 39.00 13.70 0 -5 9 52.09 13.50 0 -5 9 42.70 13.20 -1 5 -9 531.35 163.78 1 -5 9 571.94 163.78 -2 5 -9 19.30 7.80 -2 5 -9 24.40 7.20 2 -5 9 19.10 7.20 -3 5 -9 169.48 49.50 -3 5 -9 174.08 49.30 3 -5 9 151.58 49.40 -4 5 -9 15.50 6.80 4 -5 9 18.00 6.90 -5 5 -9 210.48 64.49 5 -5 9 218.58 64.39 -6 5 -9 12.50 6.00 6 -5 9 16.10 6.40 6 -5 9 9.10 3.90 -7 5 -9 206.48 55.99 -7 5 -9 129.89 64.69 7 -5 9 207.58 55.69 7 -5 9 157.08 56.19 -8 5 -9 45.30 11.30 -8 5 -9 13.10 11.20 -8 5 -9 41.10 10.50 -8 5 -9 34.80 23.00 8 -5 9 19.90 10.10 8 -5 9 37.60 11.70 -9 5 -9 31.40 8.90 -9 5 -9 13.40 7.30 -9 5 -9 26.80 20.90 -9 5 -9 3.10 8.70 9 -5 9 13.70 7.20 9 -5 9 39.00 9.90 -10 5 -9 15.70 12.60 -10 5 -9 42.20 24.50 -10 5 -9 38.20 11.20 10 -5 9 47.40 13.20 10 -5 9 28.50 11.10 -11 5 -9 54.59 21.60 -11 5 -9 59.39 22.70 -11 5 -9 72.39 34.60 11 -5 9 95.49 23.60 11 -5 9 74.69 21.60 -12 5 -9 98.49 24.30 -12 5 -9 57.89 25.20 -12 5 -9 60.99 38.60 -13 5 -9 2.60 5.20 -13 5 -9 3.50 19.10 13 -5 9 14.50 4.50 13 -5 9 6.60 5.60 -14 5 -9 24.20 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3.00 -11 -14 10 -1.40 2.90 -10 -14 10 -2.40 3.40 -10 -14 10 0.80 3.00 -9 -14 10 3.80 3.80 -9 -14 10 2.60 4.80 -9 -14 10 6.30 2.30 -8 -14 10 0.20 3.00 -8 -14 10 6.30 4.60 -8 -14 10 7.20 4.10 -7 -14 10 -0.80 4.40 -7 -14 10 0.60 3.10 -7 -14 10 -0.20 4.30 -6 -14 10 3.60 3.50 -6 -14 10 7.60 4.60 -6 -14 10 0.70 5.00 -5 -14 10 63.89 17.90 -5 -14 10 52.89 17.60 -4 -14 10 9.00 2.40 -4 -14 10 -5.20 4.00 -4 -14 10 0.40 4.60 -3 -14 10 2.90 4.10 -3 -14 10 -2.20 3.40 -3 -14 10 -1.40 1.80 2 14 -10 58.89 14.60 -2 -14 10 31.60 13.90 -2 -14 10 44.50 13.30 -2 -14 10 38.30 13.60 1 14 -10 1.90 4.80 -1 -14 10 -0.10 1.70 -1 -14 10 2.90 3.80 -1 -14 10 1.30 2.10 -1 -14 10 1.90 3.10 0 14 -10 1.20 5.20 0 -14 10 -1.10 2.80 0 -14 10 2.60 2.60 0 -14 10 -0.40 1.60 -1 14 -10 17.30 8.20 1 -14 10 25.60 6.60 1 -14 10 12.20 6.40 1 -14 10 18.40 5.80 -2 14 -10 -1.70 6.50 2 -14 10 -0.10 3.10 2 -14 10 -1.50 1.80 2 -14 10 -1.00 3.20 3 -14 10 232.98 65.59 3 -14 10 202.88 65.69 3 -14 10 219.98 65.79 -4 14 -10 6.70 7.70 4 -14 10 3.70 2.10 4 -14 10 -1.80 3.50 4 -14 10 -0.10 4.60 4 -14 10 -2.30 3.60 5 -14 10 113.59 26.20 5 -14 10 70.39 26.10 5 -14 10 81.09 26.20 6 -14 10 166.88 62.99 6 -14 10 244.58 62.89 6 -14 10 209.38 62.89 -7 14 -10 6.10 7.90 -7 14 -10 5.80 4.40 7 -14 10 2.90 4.40 7 -14 10 5.50 5.00 7 -14 10 -0.20 3.80 -8 14 -10 0.20 3.80 -8 14 -10 10.00 9.40 8 -14 10 6.50 5.00 8 -14 10 -0.30 3.90 -9 14 -10 27.00 10.40 -9 14 -10 81.49 19.40 9 -14 10 16.20 10.10 9 -14 10 46.10 10.60 -10 14 -10 29.10 7.10 10 -14 10 22.60 7.00 10 -14 10 8.60 6.60 -11 14 -10 -0.20 2.80 11 -14 10 1.20 3.10 11 -14 10 -1.30 2.80 -12 14 -10 1.50 2.80 12 -14 10 2.90 3.50 12 -14 10 1.60 2.80 -13 14 -10 -0.20 2.30 13 -14 10 1.10 2.60 13 -14 10 3.80 2.60 -12 -13 10 0.00 2.80 -12 -13 10 0.10 2.80 -11 -13 10 5.80 3.40 -11 -13 10 -3.30 2.90 -10 -13 10 -1.00 1.00 -10 -13 10 -2.30 3.40 -10 -13 10 1.50 4.00 -9 -13 10 15.80 6.20 -9 -13 10 22.70 6.80 -9 -13 10 10.70 5.40 -8 -13 10 2.20 3.00 -8 -13 10 1.10 4.20 -8 -13 10 -4.30 4.80 -7 -13 10 2.80 5.60 -7 -13 10 5.00 3.90 -7 -13 10 -0.20 6.00 -6 -13 10 112.09 28.80 -6 -13 10 100.49 29.20 -6 -13 10 52.69 29.30 -5 -13 10 5.00 5.00 -5 -13 10 10.60 4.30 -5 -13 10 2.70 4.50 -4 -13 10 59.39 16.70 -4 -13 10 46.30 16.90 3 13 -10 8.30 4.50 -3 -13 10 1.90 4.20 -3 -13 10 4.10 2.30 -3 -13 10 6.30 3.40 2 13 -10 -4.70 4.20 -2 -13 10 -0.60 3.70 -2 -13 10 -0.40 2.90 -2 -13 10 1.80 1.90 -2 -13 10 -0.70 1.70 1 13 -10 3.20 4.70 -1 -13 10 0.60 2.10 -1 -13 10 0.80 3.50 -1 -13 10 1.50 2.70 -1 -13 10 1.40 2.10 0 13 -10 3.00 4.90 0 -13 10 -4.80 2.50 0 -13 10 -1.90 2.90 -1 13 -10 8.50 5.70 1 -13 10 2.00 2.40 1 -13 10 4.20 4.20 1 -13 10 -0.40 3.10 2 -13 10 224.88 70.69 2 -13 10 229.58 70.69 2 -13 10 251.27 70.59 -3 13 -10 0.50 6.90 3 -13 10 -0.10 2.00 3 -13 10 3.10 4.20 3 -13 10 1.00 3.20 3 -13 10 1.90 3.50 -4 13 -10 97.49 30.40 4 -13 10 99.39 29.00 4 -13 10 92.69 29.30 4 -13 10 92.49 29.40 4 -13 10 100.29 29.30 -5 13 -10 24.40 11.60 5 -13 10 33.10 8.90 5 -13 10 22.80 9.90 5 -13 10 23.40 9.40 5 -13 10 28.60 9.50 -6 13 -10 2.40 4.50 -6 13 -10 -1.50 7.70 6 -13 10 -0.70 5.00 6 -13 10 -2.00 4.20 6 -13 10 1.00 4.00 -7 13 -10 99.59 33.90 7 -13 10 119.69 33.60 -8 13 -10 3.10 4.40 -8 13 -10 15.00 8.70 8 -13 10 -0.60 3.60 8 -13 10 -0.80 4.80 -9 13 -10 14.30 5.10 9 -13 10 8.80 4.70 9 -13 10 0.50 4.90 -10 13 -10 4.50 3.70 10 -13 10 8.20 4.30 10 -13 10 2.10 3.60 -11 13 -10 2.00 3.40 11 -13 10 -4.20 3.10 11 -13 10 6.60 3.50 -12 13 -10 0.20 2.80 12 -13 10 0.10 2.70 12 -13 10 2.10 3.20 -13 13 -10 -0.10 2.80 13 -13 10 3.10 2.80 13 -13 10 7.60 3.10 -14 13 -10 -0.30 2.00 14 -13 10 1.80 2.20 14 -13 10 2.70 2.30 -13 -12 10 -3.80 2.60 -13 -12 10 -1.40 2.50 -12 -12 10 -1.30 3.60 -12 -12 10 0.10 3.20 -11 -12 10 6.20 4.30 -11 -12 10 5.40 4.90 -10 -12 10 14.10 5.90 -10 -12 10 11.80 6.60 -9 -12 10 10.00 5.50 -9 -12 10 9.30 4.60 -9 -12 10 5.70 6.60 -8 -12 10 48.00 16.00 -8 -12 10 44.80 16.70 -7 -12 10 0.70 7.20 -7 -12 10 14.60 5.60 -7 -12 10 20.00 6.60 -6 -12 10 4.60 7.40 -6 -12 10 12.50 6.70 -6 -12 10 18.30 6.00 -5 -12 10 24.50 9.20 -5 -12 10 16.10 8.90 -5 -12 10 19.30 8.30 -5 -12 10 28.20 7.60 4 12 -10 0.60 3.10 -4 -12 10 13.60 3.00 -4 -12 10 3.20 4.40 -4 -12 10 9.00 3.60 3 12 -10 31.60 8.20 -3 -12 10 23.50 7.70 -3 -12 10 22.10 7.20 -3 -12 10 13.50 8.00 2 12 -10 5.10 4.10 -2 -12 10 0.70 3.90 -2 -12 10 -0.70 1.50 -2 -12 10 -0.40 1.60 -2 -12 10 4.10 2.90 1 12 -10 21.00 5.80 -1 -12 10 6.90 4.20 -1 -12 10 10.00 4.50 0 12 -10 161.08 50.09 0 -12 10 179.68 49.70 0 -12 10 159.88 49.60 0 -12 10 169.18 49.70 -1 12 -10 10.20 5.50 1 -12 10 5.10 3.30 1 -12 10 -1.10 3.10 1 -12 10 6.90 2.40 -2 12 -10 13.30 6.20 2 -12 10 7.40 4.30 2 -12 10 2.50 4.00 2 -12 10 10.10 3.10 2 -12 10 6.90 3.80 -3 12 -10 300.07 88.49 3 -12 10 284.87 87.99 3 -12 10 308.07 88.09 -4 12 -10 -0.10 6.30 4 -12 10 -2.70 3.70 4 -12 10 5.20 4.10 4 -12 10 3.10 2.60 4 -12 10 3.40 4.50 -5 12 -10 252.87 67.59 5 -12 10 219.38 66.89 5 -12 10 226.58 66.99 5 -12 10 191.78 66.69 5 -12 10 257.57 66.99 -6 12 -10 17.90 7.60 -6 12 -10 31.80 9.40 6 -12 10 11.50 6.30 6 -12 10 10.20 7.00 6 -12 10 11.10 7.00 -7 12 -10 621.04 193.68 -7 12 -10 701.23 193.08 7 -12 10 627.44 192.98 -8 12 -10 27.60 11.80 -8 12 -10 55.69 13.70 8 -12 10 25.20 11.30 8 -12 10 33.20 11.70 -9 12 -10 14.10 5.20 9 -12 10 6.20 4.60 9 -12 10 -2.30 6.70 9 -12 10 22.40 5.50 -10 12 -10 6.70 4.30 10 -12 10 1.30 3.30 10 -12 10 2.00 4.40 10 -12 10 -2.10 10.50 -11 12 -10 -0.60 3.70 11 -12 10 -1.10 3.40 11 -12 10 3.40 3.80 -12 12 -10 2.80 3.40 12 -12 10 -3.40 3.20 12 -12 10 -1.90 3.00 -13 12 -10 3.20 3.50 13 -12 10 0.60 3.10 13 -12 10 5.20 3.10 -14 12 -10 1.90 2.30 14 -12 10 2.80 2.50 14 -12 10 -4.40 2.20 -13 -11 10 0.50 3.00 -13 -11 10 0.70 3.70 -12 -11 10 2.30 3.80 -12 -11 10 1.20 3.20 -11 -11 10 2.70 4.30 -11 -11 10 -4.90 4.00 -10 -11 10 53.59 14.80 -10 -11 10 37.70 15.60 -10 -11 10 44.70 15.80 -9 -11 10 0.40 6.30 -9 -11 10 0.40 0.90 -9 -11 10 -1.70 3.50 -9 -11 10 6.80 6.30 -8 -11 10 8.90 5.80 -8 -11 10 -0.30 3.50 -8 -11 10 -6.20 5.00 -7 -11 10 398.56 118.59 -6 -11 10 0.00 4.90 -6 -11 10 4.60 3.80 -6 -11 10 3.30 5.30 -6 -11 10 6.10 2.40 -5 -11 10 10.70 9.60 -5 -11 10 18.80 9.50 -5 -11 10 38.50 8.90 4 11 -10 1.90 3.60 -4 -11 10 -2.40 3.90 -4 -11 10 3.80 2.60 -4 -11 10 0.50 1.50 3 11 -10 36.00 9.00 -3 -11 10 20.10 7.90 -3 -11 10 15.70 8.30 2 11 -10 16.60 5.90 -2 -11 10 16.60 4.70 -2 -11 10 8.00 4.50 -2 -11 10 12.90 4.20 1 11 -10 134.09 39.00 -1 -11 10 126.79 38.50 0 11 -10 2.10 5.00 0 -11 10 9.70 3.20 0 -11 10 6.90 2.40 0 -11 10 5.50 3.10 -1 11 -10 449.56 146.79 1 -11 10 535.65 146.59 1 -11 10 432.06 146.49 1 -11 10 503.25 146.59 1 -11 10 557.94 146.59 -2 11 -10 3.70 5.80 2 -11 10 4.40 3.30 2 -11 10 9.30 3.80 2 -11 10 4.60 3.50 2 -11 10 7.20 2.60 -3 11 -10 440.46 130.89 3 -11 10 500.25 130.49 3 -11 10 507.75 130.59 3 -11 10 380.66 130.39 3 -11 10 386.16 130.49 -4 11 -10 206.88 63.89 4 -11 10 234.18 63.39 4 -11 10 225.48 63.19 4 -11 10 173.08 63.39 -5 11 -10 74.59 32.00 5 -11 10 123.69 31.00 5 -11 10 100.79 31.20 5 -11 10 105.49 31.20 5 -11 10 101.89 31.20 -6 11 -10 443.06 154.18 -6 11 -10 490.35 153.88 6 -11 10 552.24 153.68 6 -11 10 616.34 153.78 6 -11 10 477.85 153.88 -7 11 -10 75.59 31.40 7 -11 10 136.69 31.50 7 -11 10 100.59 31.60 -8 11 -10 10.40 5.70 -8 11 -10 28.70 9.60 8 -11 10 17.00 5.90 8 -11 10 -6.20 6.10 8 -11 10 23.40 5.30 -9 11 -10 23.40 6.10 9 -11 10 11.90 6.00 9 -11 10 17.80 5.10 9 -11 10 2.30 5.60 -10 11 -10 20.70 23.80 10 -11 10 41.00 12.80 -11 11 -10 3.60 14.70 -11 11 -10 18.70 5.50 11 -11 10 3.30 5.10 11 -11 10 15.20 5.50 -12 11 -10 18.00 14.80 -12 11 -10 3.90 4.10 12 -11 10 1.00 3.50 12 -11 10 5.20 3.80 -13 11 -10 -4.80 11.20 -13 11 -10 -0.40 2.90 13 -11 10 1.80 3.20 13 -11 10 4.10 3.00 -14 11 -10 5.00 3.50 14 -11 10 7.20 3.90 14 -11 10 9.00 3.40 -15 11 -10 0.10 1.90 15 -11 10 -0.90 2.50 15 -11 10 -0.80 1.90 -14 -10 10 0.90 2.30 -14 -10 10 1.80 3.10 -13 -10 10 -2.00 3.00 -13 -10 10 0.50 3.60 -12 -10 10 -3.20 4.40 -12 -10 10 3.50 3.90 -11 -10 10 0.60 1.10 -11 -10 10 5.90 4.50 -11 -10 10 5.10 5.30 -10 -10 10 9.60 6.80 -10 -10 10 10.80 6.10 -10 -10 10 12.00 5.20 -9 -10 10 128.49 39.20 -9 -10 10 131.69 38.90 -8 -10 10 8.20 3.10 -8 -10 10 8.00 4.20 -8 -10 10 3.10 5.40 -8 -10 10 2.40 6.20 -7 -10 10 14.10 7.50 -7 -10 10 22.70 6.00 -7 -10 10 11.90 8.20 -7 -10 10 13.00 6.70 -6 -10 10 4.80 3.70 -6 -10 10 9.70 5.50 -6 -10 10 5.80 2.50 -6 -10 10 3.90 5.00 -5 -10 10 4.60 4.00 -5 -10 10 2.50 1.80 -5 -10 10 6.50 3.00 -5 -10 10 -2.50 4.60 -4 -10 10 112.59 31.30 -4 -10 10 103.79 31.50 -4 -10 10 87.19 31.70 3 10 -10 2.60 3.20 -3 -10 10 2.50 1.60 -3 -10 10 -0.40 2.30 -3 -10 10 0.90 3.30 2 10 -10 35.30 9.40 -2 -10 10 30.80 8.60 -2 -10 10 16.50 8.90 1 10 -10 26.70 7.80 -1 -10 10 19.70 6.60 -1 -10 10 15.40 6.90 -1 -10 10 31.50 7.00 0 -10 10 75.89 21.50 0 -10 10 65.09 21.70 -1 10 -10 44.40 10.60 1 -10 10 27.60 8.40 1 -10 10 15.60 8.60 1 -10 10 26.50 8.30 1 -10 10 29.20 8.50 -2 10 -10 220.08 60.59 2 -10 10 183.38 59.99 2 -10 10 210.88 60.09 2 -10 10 196.68 60.09 2 -10 10 208.38 60.09 -3 10 -10 4.10 5.30 3 -10 10 5.80 3.20 3 -10 10 5.60 3.50 3 -10 10 6.20 2.40 3 -10 10 3.10 3.10 -4 10 -10 171.48 62.19 4 -10 10 216.98 61.89 4 -10 10 242.58 61.79 4 -10 10 200.18 61.69 -5 10 -10 50.09 15.00 5 -10 10 42.60 14.10 5 -10 10 35.40 14.10 5 -10 10 55.89 13.70 5 -10 10 32.30 13.80 -6 10 -10 -2.50 4.30 -6 10 -10 1.70 6.20 6 -10 10 2.40 4.30 6 -10 10 3.70 3.40 6 -10 10 1.40 3.70 6 -10 10 -3.90 3.30 6 -10 10 4.20 4.10 -7 10 -10 24.30 12.40 -7 10 -10 40.90 13.60 7 -10 10 53.99 12.40 7 -10 10 37.40 11.90 7 -10 10 29.80 12.40 -8 10 -10 15.60 7.90 8 -10 10 17.10 7.00 8 -10 10 26.90 7.80 -9 10 -10 5.40 4.90 -9 10 -10 -1.10 15.30 9 -10 10 -0.50 4.70 9 -10 10 5.30 3.70 -10 10 -10 24.60 10.20 -10 10 -10 28.40 19.30 10 -10 10 55.39 15.30 10 -10 10 21.50 9.80 10 -10 10 35.50 10.20 -11 10 -10 26.50 8.40 -11 10 -10 -11.30 14.40 -11 10 -10 -1.00 4.40 11 -10 10 4.50 4.20 11 -10 10 6.00 11.60 11 -10 10 3.80 4.70 -12 10 -10 9.10 15.00 -12 10 -10 7.00 5.70 12 -10 10 11.40 5.50 12 -10 10 21.80 5.50 -13 10 -10 9.70 13.60 -13 10 -10 2.00 3.40 13 -10 10 0.60 3.40 13 -10 10 2.60 3.00 -14 10 -10 0.30 2.80 -14 10 -10 1.10 11.10 14 -10 10 5.70 3.00 14 -10 10 -2.70 2.90 -15 10 -10 4.90 3.10 -15 10 -10 7.50 10.50 15 -10 10 5.20 2.90 15 -10 10 8.90 3.50 -15 -9 10 -0.40 2.30 -15 -9 10 0.80 2.00 -14 -9 10 -0.30 3.10 -14 -9 10 2.20 3.40 -13 -9 10 -1.30 3.70 -13 -9 10 -4.30 4.30 -12 -9 10 1.80 4.40 -12 -9 10 -5.00 4.80 -11 -9 10 6.40 4.90 -11 -9 10 5.00 1.90 -11 -9 10 0.90 5.60 -11 -9 10 5.30 2.20 -10 -9 10 1.30 5.20 -10 -9 10 -0.50 2.40 -10 -9 10 3.30 4.00 -10 -9 10 -0.10 4.80 -9 -9 10 11.50 8.10 -9 -9 10 8.80 6.10 -9 -9 10 11.60 7.30 -9 -9 10 21.90 5.50 -8 -9 10 28.20 7.20 -8 -9 10 15.40 9.20 -8 -9 10 13.00 8.70 -8 -9 10 17.90 7.80 -7 -9 10 31.50 13.40 -7 -9 10 47.50 12.40 -7 -9 10 27.80 13.50 -7 -9 10 35.70 12.80 -6 -9 10 0.70 1.80 -6 -9 10 2.70 2.60 -6 -9 10 -2.00 4.00 -6 -9 10 4.30 4.60 -5 -9 10 33.70 12.10 -5 -9 10 43.40 11.90 -5 -9 10 24.40 12.80 -5 -9 10 45.10 12.50 -4 -9 10 3.80 2.60 -4 -9 10 1.20 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3.00 -9 2 21 0.80 2.10 -8 2 21 20.50 6.40 -8 2 21 18.80 7.40 -7 2 21 45.50 10.70 -7 2 21 29.60 10.10 -6 2 21 5.90 4.50 -6 2 21 10.50 3.40 -5 2 21 5.50 3.20 -5 2 21 4.60 2.10 -4 2 21 0.40 1.70 -4 2 21 -0.60 2.00 -4 2 21 0.80 2.10 3 -2 -21 0.30 39.20 -3 2 21 0.40 2.30 -3 2 21 0.70 1.90 2 -2 -21 23.80 40.30 1 -2 -21 21.70 30.10 -1 2 21 8.70 3.80 0 -2 -21 12.90 23.30 0 2 21 5.40 3.10 -1 -2 -21 33.40 23.40 -2 -2 -21 25.60 20.70 -3 -2 -21 0.90 14.20 -3 -2 -21 -3.90 3.20 -4 -2 -21 -13.50 16.00 -4 -2 -21 -1.60 2.70 -5 -2 -21 4.50 14.50 -5 -2 -21 -1.10 2.80 5 2 21 1.50 2.30 -9 3 21 11.10 4.20 -9 3 21 7.90 3.20 -8 3 21 -1.80 2.80 -8 3 21 1.60 1.90 -7 3 21 8.50 2.70 -7 3 21 0.90 3.50 -6 3 21 38.90 10.10 -6 3 21 20.50 10.50 -5 3 21 0.80 2.40 -4 3 21 0.90 2.10 -4 3 21 0.60 2.30 3 -3 -21 -10.60 37.40 -3 3 21 0.90 2.40 -3 3 21 0.20 1.80 2 -3 -21 -2.70 38.80 -2 3 21 -0.40 2.40 1 -3 -21 5.90 31.90 -1 3 21 3.40 2.80 0 -3 -21 8.50 28.30 0 3 21 2.60 2.70 -1 -3 -21 13.80 24.40 1 3 21 4.90 2.90 -2 -3 -21 47.90 21.60 -3 -3 -21 -2.70 2.50 -3 -3 -21 7.20 16.10 3 3 21 5.40 2.20 -4 -3 -21 2.20 2.60 -4 -3 -21 0.60 13.80 -9 4 21 9.00 2.60 -9 4 21 -0.70 3.00 -8 4 21 1.90 3.00 -8 4 21 2.40 3.10 -7 4 21 3.10 2.80 -6 4 21 0.80 2.50 -5 4 21 0.80 2.00 -5 4 21 2.40 2.20 4 -4 -21 -18.50 40.00 -4 4 21 1.40 2.20 -4 4 21 -0.80 1.80 3 -4 -21 21.70 46.00 2 -4 -21 8.60 37.20 1 -4 -21 27.70 26.80 0 -4 -21 7.90 23.40 -1 -4 -21 9.10 19.00 1 4 21 12.40 4.80 -2 -4 -21 11.10 18.10 -2 -4 -21 3.70 4.50 2 4 21 3.20 2.30 -3 -4 -21 -2.40 2.50 -3 -4 -21 -2.90 13.10 3 4 21 -0.50 2.10 -8 5 21 -1.00 2.70 -7 5 21 2.00 2.60 -6 5 21 0.20 2.00 -5 5 21 1.30 2.00 -5 5 21 2.70 2.00 4 -5 -21 68.69 48.20 -4 5 21 17.60 7.20 -4 5 21 28.00 7.20 3 -5 -21 46.30 40.60 2 -5 -21 16.50 29.60 -2 5 21 1.40 2.70 1 -5 -21 30.80 31.00 -1 5 21 39.60 12.20 0 -5 -21 -12.20 20.10 0 5 21 0.70 2.40 -1 -5 -21 9.60 15.50 1 5 21 6.90 3.20 -2 -5 -21 10.90 16.70 -2 -5 -21 10.60 3.50 2 5 21 1.50 2.60 -7 6 21 1.60 2.10 -6 6 21 0.70 1.80 5 -6 -21 16.50 38.90 4 -6 -21 48.60 43.40 3 -6 -21 11.00 30.20 -3 6 21 16.20 5.30 2 -6 -21 27.30 26.70 1 -6 -21 8.20 21.50 -1 6 21 -0.40 2.10 0 -6 -21 17.70 17.00 0 6 21 9.80 3.90 -1 -6 -21 -2.80 13.30 1 6 21 1.00 2.00 6 -7 -21 18.90 34.10 5 -7 -21 -35.80 33.20 -5 7 21 0.50 1.80 4 -7 -21 -2.00 28.00 -4 7 21 3.30 2.10 3 -7 -21 0.20 26.50 -3 7 21 1.60 2.00 2 -7 -21 -9.40 19.30 -2 7 21 1.90 2.20 1 -7 -21 10.20 14.10 -1 7 21 1.40 1.90 -1 -12 22 2.50 2.10 -1 -12 22 1.70 1.60 0 -12 22 0.10 1.20 0 -12 22 2.30 1.90 -4 -11 22 12.30 3.50 -4 -11 22 6.20 4.00 -3 -11 22 1.90 2.30 -3 -11 22 0.40 1.50 -2 -11 22 9.90 3.30 -2 -11 22 8.80 3.90 -1 -11 22 0.70 2.50 -1 -11 22 7.30 2.10 0 -11 22 0.30 1.90 0 -11 22 2.40 1.30 1 -11 22 8.20 2.90 2 -11 22 0.80 1.30 -5 -10 22 3.00 2.00 -5 -10 22 3.30 2.80 -4 -10 22 15.20 5.50 -3 -10 22 5.40 2.30 -3 -10 22 3.00 2.50 -2 -10 22 0.20 2.10 -2 -10 22 2.20 1.70 -1 -10 22 37.00 8.10 -1 -10 22 11.30 8.30 0 -10 22 -0.60 1.40 0 -10 22 -2.30 1.80 1 -10 22 1.20 1.30 2 -10 22 1.10 1.40 -6 -9 22 -1.10 1.80 -6 -9 22 1.60 2.50 -5 -9 22 3.30 2.20 -5 -9 22 3.70 3.00 -4 -9 22 2.70 2.70 -4 -9 22 3.40 2.10 -3 -9 22 59.79 18.40 -3 -9 22 63.89 18.60 -2 -9 22 0.90 1.80 -2 -9 22 -3.50 2.10 -1 -9 22 1.50 2.20 -1 -9 22 1.60 1.60 0 -9 22 55.59 16.70 1 -9 22 1.80 1.60 2 -9 22 0.40 1.20 4 -9 22 2.80 2.10 -7 -8 22 0.00 2.50 -7 -8 22 0.20 1.80 -6 -8 22 6.60 3.30 -6 -8 22 8.30 3.10 -5 -8 22 -0.30 2.50 -5 -8 22 0.50 1.90 -4 -8 22 1.40 1.90 -4 -8 22 -5.80 2.60 -3 -8 22 3.60 2.60 -3 -8 22 3.50 1.90 -2 -8 22 14.60 3.70 -2 -8 22 4.00 4.00 -1 -8 22 2.10 2.50 -1 -8 22 4.70 2.00 0 -8 22 -2.50 1.50 0 -8 22 0.60 2.10 1 -8 22 2.80 1.70 2 -8 22 14.40 4.50 3 -8 22 6.00 3.10 4 -8 22 0.40 2.10 -7 -7 22 -1.10 1.80 -7 -7 22 -1.40 2.50 -6 -7 22 12.00 4.10 -6 -7 22 10.50 4.40 -5 -7 22 6.80 3.50 -5 -7 22 6.00 2.80 -4 -7 22 4.40 2.10 -4 -7 22 0.30 2.50 -3 -7 22 7.90 2.70 -3 -7 22 2.50 2.90 -2 -7 22 7.20 2.60 -2 -7 22 1.20 2.40 -1 -7 22 7.40 2.90 -1 -7 22 4.80 2.70 0 -7 22 2.90 1.90 0 -7 22 3.60 2.40 1 -7 22 9.10 3.10 2 -7 22 109.99 32.70 2 -7 22 109.39 32.60 3 -7 22 17.90 6.10 4 -7 22 12.60 4.40 5 -7 22 0.00 1.70 -8 -6 22 1.10 2.00 -8 -6 22 -0.10 2.50 -7 -6 22 0.00 2.40 -7 -6 22 -0.10 1.80 -6 -6 22 1.80 2.60 -6 -6 22 0.70 1.90 -5 -6 22 54.29 15.90 -5 -6 22 50.39 16.10 -4 -6 22 13.80 4.40 -4 -6 22 10.40 4.80 -3 -6 22 -0.60 2.20 -3 -6 22 -2.60 2.00 -2 -6 22 35.10 12.30 -2 -6 22 43.60 12.20 -1 -6 22 14.40 4.30 -1 -6 22 10.20 4.60 0 -6 22 7.90 3.50 0 -6 22 7.90 2.90 1 -6 22 1.50 1.60 1 -6 22 3.00 2.30 2 -6 22 4.70 3.10 2 -6 22 6.20 2.20 3 -6 22 153.08 45.60 4 -6 22 3.60 2.70 5 -6 22 1.00 2.20 -8 -5 22 2.30 1.70 -8 -5 22 0.10 2.80 -7 -5 22 3.30 2.00 -7 -5 22 0.90 2.50 -6 -5 22 0.60 2.30 -6 -5 22 -0.80 2.00 -5 -5 22 4.00 2.80 -5 -5 22 -1.60 2.00 -4 -5 22 29.40 10.40 -4 -5 22 40.60 10.60 -3 -5 22 7.20 3.30 -3 -5 22 9.70 3.60 -2 -5 22 -1.80 2.00 -2 -5 22 0.60 1.60 -1 -5 22 15.60 3.30 -1 -5 22 -0.10 3.50 0 -5 22 6.80 2.80 0 -5 22 9.50 3.20 -1 5 -22 15.60 23.30 1 -5 22 43.40 9.50 1 -5 22 26.60 9.20 -2 5 -22 11.20 11.60 2 -5 22 1.10 1.40 2 -5 22 0.90 2.70 -3 5 -22 5.70 11.70 3 -5 22 7.10 3.10 -4 5 -22 8.80 11.90 4 -5 22 13.80 4.80 -5 5 -22 15.30 18.00 5 -5 22 2.10 2.40 -8 -4 22 3.60 2.00 -8 -4 22 2.30 2.80 -7 -4 22 0.20 2.70 -7 -4 22 2.70 2.10 -6 -4 22 -1.50 1.70 -6 -4 22 0.50 2.60 -5 -4 22 0.30 2.30 -5 -4 22 -3.80 1.90 -4 -4 22 1.00 2.00 -4 -4 22 0.30 2.10 3 4 -22 14.50 13.90 -3 -4 22 11.60 5.60 -3 -4 22 19.70 5.30 2 4 -22 -5.80 11.80 -2 -4 22 -0.60 2.10 -2 -4 22 -1.00 1.70 1 4 -22 5.90 12.70 -1 -4 22 3.40 2.30 -1 -4 22 4.00 1.90 0 4 -22 -3.70 12.40 0 -4 22 1.10 1.40 0 -4 22 0.90 2.30 -1 4 -22 -13.20 12.50 1 -4 22 9.90 3.70 -2 4 -22 -6.50 11.60 2 -4 22 -0.40 2.70 -3 4 -22 -5.60 11.60 3 -4 22 -2.60 2.70 -4 4 -22 -6.70 10.90 4 -4 22 0.00 2.60 -5 4 -22 -1.30 9.40 5 -4 22 -1.70 1.80 -9 -3 22 -0.70 2.10 -9 -3 22 -4.90 3.10 -8 -3 22 12.70 4.20 -8 -3 22 10.10 4.70 -7 -3 22 2.00 1.90 -7 -3 22 3.80 3.00 6 3 -22 0.90 11.50 -6 -3 22 0.80 1.60 -6 -3 22 -3.10 2.50 5 3 -22 -1.10 12.10 -5 -3 22 0.30 2.40 -5 -3 22 -1.40 1.70 4 3 -22 -0.50 12.90 -4 -3 22 7.80 2.40 -4 -3 22 0.30 2.70 3 3 -22 6.40 15.80 -3 -3 22 14.10 5.80 -3 -3 22 19.10 5.50 2 3 -22 -0.30 14.80 -2 -3 22 7.90 2.60 -2 -3 22 4.80 3.00 1 3 -22 10.90 14.20 -1 -3 22 10.80 4.40 -1 -3 22 8.60 4.80 -1 -3 22 13.40 3.90 0 3 -22 -3.00 13.10 0 -3 22 1.90 2.80 0 -3 22 1.90 1.50 -1 3 -22 7.60 12.80 1 -3 22 -5.00 2.80 1 -3 22 0.30 1.40 -2 3 -22 -2.60 11.60 2 -3 22 1.20 2.80 -3 3 -22 -0.50 11.40 3 -3 22 -1.50 2.60 -4 3 -22 1.30 12.10 4 -3 22 11.80 4.10 -5 3 -22 6.80 11.80 -9 -2 22 0.40 1.80 -9 -2 22 0.80 2.90 8 2 -22 3.50 14.70 -8 -2 22 6.00 3.10 -8 -2 22 15.00 4.40 7 2 -22 -3.50 10.90 -7 -2 22 1.70 1.70 -7 -2 22 -1.30 2.80 6 2 -22 4.30 12.40 -6 -2 22 4.10 3.20 -6 -2 22 3.30 2.20 5 2 -22 2.80 16.50 -5 -2 22 18.60 5.50 -5 -2 22 15.30 5.80 4 2 -22 -2.10 16.10 -4 -2 22 -2.10 1.60 -4 -2 22 -1.20 2.30 3 2 -22 1.50 17.90 -3 -2 22 7.20 3.40 -3 -2 22 8.40 2.90 2 2 -22 12.60 18.30 -2 -2 22 17.50 7.70 -2 -2 22 30.40 7.80 -2 -2 22 27.20 7.60 1 2 -22 7.90 15.20 -1 -2 22 9.70 3.00 -1 -2 22 5.90 3.80 0 2 -22 -10.00 14.50 0 -2 22 6.80 2.70 0 -2 22 10.20 3.70 -1 2 -22 9.50 13.20 1 -2 22 1.90 2.90 -2 2 -22 0.00 13.20 2 -2 22 1.10 2.70 -3 2 -22 10.60 12.70 3 -2 22 1.70 2.80 -4 2 -22 3.10 9.90 4 -2 22 -3.40 2.50 -5 2 -22 9.70 15.00 5 -2 22 11.90 4.40 9 1 -22 -1.80 11.00 -9 -1 22 1.70 2.20 -9 -1 22 7.50 3.10 8 1 -22 -1.40 11.40 -8 -1 22 1.40 1.90 -8 -1 22 2.70 3.20 7 1 -22 1.40 13.70 -7 -1 22 3.50 2.30 -7 -1 22 9.90 3.50 6 1 -22 4.60 16.30 -6 -1 22 1.10 1.60 -6 -1 22 8.40 3.10 5 1 -22 -7.00 19.20 -5 -1 22 14.50 4.10 -5 -1 22 8.00 4.40 4 1 -22 8.80 29.90 -4 -1 22 61.79 21.30 -4 -1 22 76.89 21.00 3 1 -22 -5.30 19.40 -3 -1 22 0.10 2.20 -3 -1 22 0.10 1.50 2 1 -22 10.30 20.20 -2 -1 22 4.20 2.00 -2 -1 22 0.20 1.40 -2 -1 22 2.30 2.30 1 1 -22 13.70 18.50 -1 -1 22 7.90 4.10 -1 -1 22 10.40 3.50 0 1 -22 -0.10 13.20 -1 1 -22 0.00 13.10 1 -1 22 0.90 2.90 -2 1 -22 -11.40 14.20 2 -1 22 -1.80 2.80 -3 1 -22 -14.10 13.80 3 -1 22 3.60 3.10 -4 1 -22 5.90 13.00 4 -1 22 0.60 2.90 9 0 -22 3.40 11.10 -9 0 22 1.40 2.10 -9 0 22 -0.40 2.50 -8 0 22 0.40 1.90 -8 0 22 1.80 3.10 -7 0 22 1.60 1.80 -7 0 22 4.60 3.10 6 0 -22 -9.20 20.80 -6 0 22 13.00 4.70 5 0 -22 -6.50 22.60 -5 0 22 1.30 1.40 -5 0 22 -0.20 2.40 4 0 -22 -9.20 26.40 -4 0 22 7.60 3.40 3 0 -22 57.69 35.20 -3 0 22 76.59 21.50 -3 0 22 69.19 21.40 2 0 -22 -12.20 21.20 1 0 -22 1.80 16.60 0 0 -22 8.30 16.00 -1 0 -22 -2.70 14.60 -2 0 -22 12.80 14.10 -3 0 -22 2.70 13.90 3 0 22 4.30 3.20 -4 0 -22 5.10 14.30 4 0 22 10.10 4.10 -8 1 22 1.70 2.90 -8 1 22 3.70 1.80 -7 1 22 -2.20 2.10 -7 1 22 -0.90 2.20 -6 1 22 0.60 2.30 -6 1 22 -0.10 1.60 5 -1 -22 8.10 27.90 -5 1 22 7.00 3.60 -5 1 22 10.30 3.20 4 -1 -22 6.10 25.80 -4 1 22 9.40 3.10 -4 1 22 6.40 3.40 3 -1 -22 8.40 28.90 -3 1 22 2.10 2.00 2 -1 -22 14.60 23.70 1 -1 -22 2.70 19.20 0 -1 -22 -11.30 16.20 -1 -1 -22 32.80 20.50 -2 -1 -22 -8.60 14.20 -3 -1 -22 -1.00 12.90 -8 2 22 -1.20 1.50 -8 2 22 -1.80 2.70 -7 2 22 3.10 2.70 -7 2 22 3.90 1.80 -6 2 22 1.50 1.70 -6 2 22 -0.20 2.20 5 -2 -22 9.00 31.70 -5 2 22 1.30 2.00 4 -2 -22 4.40 26.10 -4 2 22 -1.20 2.00 3 -2 -22 27.90 30.20 2 -2 -22 -22.70 21.70 1 -2 -22 12.80 21.20 0 -2 -22 -4.40 17.70 -1 -2 -22 6.80 16.10 -2 -2 -22 8.20 15.40 -3 -2 -22 -6.60 13.90 -7 3 22 0.30 2.20 6 -3 -22 5.90 27.50 -6 3 22 4.60 2.60 5 -3 -22 8.40 28.50 -5 3 22 1.20 1.50 4 -3 -22 10.40 30.00 -4 3 22 4.40 2.30 3 -3 -22 29.10 31.00 2 -3 -22 7.50 22.00 -2 3 22 2.40 2.20 1 -3 -22 -2.30 16.60 -1 3 22 1.40 2.40 0 -3 -22 7.20 16.80 0 3 22 18.80 6.00 -1 -3 -22 5.70 14.40 1 3 22 3.30 2.40 -2 -3 -22 -14.10 14.30 -7 4 22 2.00 2.30 6 -4 -22 24.20 32.80 5 -4 -22 -8.50 32.60 -5 4 22 5.60 2.50 4 -4 -22 13.70 33.60 3 -4 -22 3.50 23.80 -3 4 22 0.30 1.90 2 -4 -22 29.70 25.40 1 -4 -22 -20.40 18.60 -1 4 22 -0.30 2.00 0 -4 -22 15.50 16.70 -1 -4 -22 -5.90 15.00 1 4 22 3.80 2.50 5 -5 -22 32.40 29.80 4 -5 -22 5.50 28.40 3 -5 -22 20.20 25.30 -3 5 22 18.40 5.90 2 -5 -22 3.30 20.00 -2 5 22 0.10 1.90 1 -5 -22 8.00 16.10 -1 5 22 4.60 2.50 -3 -9 23 51.69 15.60 -2 -9 23 4.30 1.90 -2 -9 23 2.50 2.60 -1 -9 23 3.30 1.70 -1 -9 23 0.20 2.10 0 -9 23 3.60 1.70 1 -9 23 2.90 1.60 -4 -8 23 3.10 2.00 -4 -8 23 3.20 2.60 -3 -8 23 12.70 3.20 -3 -8 23 3.70 3.10 -2 -8 23 122.59 36.50 -1 -8 23 8.10 3.20 -1 -8 23 6.80 2.90 0 -8 23 10.30 3.60 1 -8 23 2.80 1.50 -5 -7 23 2.00 2.50 -5 -7 23 -3.90 1.80 -4 -7 23 78.59 23.50 -3 -7 23 3.00 1.90 -3 -7 23 2.60 2.60 -2 -7 23 6.60 2.40 -2 -7 23 4.30 3.10 -1 -7 23 123.09 36.60 0 -7 23 14.50 4.80 1 -7 23 4.80 2.00 -6 -6 23 1.10 2.30 -6 -6 23 -0.40 1.50 -5 -6 23 2.80 2.50 -5 -6 23 2.30 1.90 -4 -6 23 2.20 1.70 -4 -6 23 0.40 2.40 -3 -6 23 36.70 9.50 -3 -6 23 21.70 9.70 -2 -6 23 6.30 2.30 -2 -6 23 4.10 3.00 -1 -6 23 12.00 6.30 -1 -6 23 20.80 5.80 0 -6 23 83.39 24.90 1 -6 23 0.20 1.40 3 -6 23 84.69 25.40 -6 -5 23 -0.20 1.80 -6 -5 23 -1.40 2.20 -5 -5 23 8.40 3.30 -5 -5 23 7.50 2.90 -4 -5 23 -0.30 1.90 -4 -5 23 0.40 1.60 -3 -5 23 -1.70 1.50 -3 -5 23 0.90 2.00 -2 -5 23 2.70 1.50 -2 -5 23 2.20 2.10 -1 -5 23 5.10 2.00 0 -5 23 28.10 8.50 1 -5 23 0.30 1.20 2 -5 23 4.60 2.80 3 -5 23 0.00 2.00 -7 -4 23 14.10 7.00 -7 -4 23 25.20 6.70 -6 -4 23 11.10 3.90 -6 -4 23 7.80 3.30 -5 -4 23 2.30 2.20 -5 -4 23 1.10 1.80 -4 -4 23 17.30 4.00 -4 -4 23 3.90 4.20 -3 -4 23 1.60 2.10 -3 -4 23 -0.50 1.40 -2 -4 23 3.70 2.30 -2 -4 23 3.90 1.80 -1 -4 23 6.40 2.30 0 4 -23 -5.70 10.60 0 -4 23 1.70 1.30 -1 4 -23 8.20 11.00 1 -4 23 4.90 3.10 -2 4 -23 -3.30 10.40 2 -4 23 4.60 2.60 -3 4 -23 12.40 12.70 3 -4 23 1.70 2.10 -7 -3 23 0.00 1.90 -7 -3 23 4.80 2.40 -6 -3 23 59.09 18.30 -6 -3 23 61.09 18.10 -5 -3 23 -1.30 1.70 -5 -3 23 0.20 2.20 4 3 -23 2.10 15.10 -4 -3 23 3.10 2.50 -4 -3 23 7.80 2.40 3 3 -23 10.80 13.90 -3 -3 23 32.50 8.80 -3 -3 23 27.30 8.70 2 3 -23 8.10 10.20 -2 -3 23 4.30 1.80 -2 -3 23 2.40 3.00 1 3 -23 -7.30 11.50 0 3 -23 7.30 12.30 0 -3 23 10.20 3.50 -1 3 -23 -2.70 9.70 1 -3 23 -2.20 2.00 -2 3 -23 0.80 9.60 2 -3 23 0.80 2.00 -3 3 -23 -6.60 9.30 3 -3 23 1.60 2.20 -7 -2 23 3.40 2.30 -7 -2 23 0.50 2.20 6 2 -23 6.50 12.20 -6 -2 23 19.30 5.70 -6 -2 23 16.70 6.00 5 2 -23 12.00 14.40 -5 -2 23 30.10 8.90 4 2 -23 2.10 10.70 -4 -2 23 0.80 2.10 -4 -2 23 -1.10 1.70 3 2 -23 -7.80 11.40 -3 -2 23 4.00 2.90 -3 -2 23 8.00 2.50 2 2 -23 -8.50 11.40 -2 -2 23 6.80 2.30 1 2 -23 8.50 12.20 0 2 -23 -12.30 10.80 0 -2 23 2.60 2.50 -1 2 -23 13.30 13.10 -2 2 -23 2.10 10.80 2 -2 23 9.50 3.70 7 1 -23 -0.80 16.40 -7 -1 23 36.60 11.70 -7 -1 23 42.90 11.60 6 1 -23 -8.60 11.60 -6 -1 23 -1.20 2.40 -6 -1 23 -1.20 1.80 5 1 -23 2.40 14.60 -5 -1 23 18.50 5.50 -5 -1 23 15.20 5.80 4 1 -23 7.10 15.40 -4 -1 23 16.10 5.60 3 1 -23 -2.50 15.50 -3 -1 23 7.90 2.30 -3 -1 23 3.20 2.70 2 1 -23 31.00 15.60 1 1 -23 10.40 13.70 0 1 -23 -0.30 11.70 0 -1 23 -3.10 2.40 -1 1 -23 1.80 11.90 1 -1 23 3.00 2.60 -2 1 -23 25.80 15.80 2 -1 23 19.40 6.40 6 0 -23 2.80 16.70 -6 0 23 24.10 7.40 5 0 -23 -8.70 15.40 -5 0 23 0.50 1.40 -5 0 23 -2.20 2.30 4 0 -23 -0.20 14.80 -4 0 23 1.60 1.80 3 0 -23 1.50 15.00 2 0 -23 4.90 13.40 1 0 -23 4.30 14.30 -1 0 23 5.30 2.90 0 0 -23 75.99 39.70 0 0 23 118.19 34.00 -1 0 -23 5.30 12.90 1 0 23 -2.80 2.60 6 -1 -23 9.30 15.70 -6 1 23 -1.40 1.90 5 -1 -23 16.00 16.90 -5 1 23 6.00 2.70 4 -1 -23 16.60 17.20 3 -1 -23 12.50 16.50 2 -1 -23 18.10 16.60 1 -1 -23 18.80 16.40 0 -1 -23 3.80 12.60 0 1 23 -1.90 2.20 -1 -1 -23 62.19 24.20 1 1 23 57.29 17.60 5 -2 -23 -1.70 17.20 -5 2 23 3.50 2.50 4 -2 -23 6.30 16.80 3 -2 -23 12.40 16.20 2 -2 -23 -0.60 14.40 1 -2 -23 44.10 19.80 0 -2 -23 8.50 14.40 0 2 23 -3.00 2.30 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 15028 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group S001 S 0.68436(17) 0.94427(15) 0.73140(12) 0.0744(7) Uani 1 1 d . . . . . C1 C 0.8933(6) 0.4314(7) 1.0095(5) 0.079(3) Uani 1 1 d . . . . . H1 H 0.890461 0.380921 0.993012 0.094 Uiso 1 1 calc R . . . . S002 S 0.92179(17) 0.53347(16) 1.13234(12) 0.0752(7) Uani 1 1 d . . . . . C2 C 0.7663(7) 0.9260(6) 0.9914(5) 0.080(3) Uani 1 1 d . . . . . H2 H 0.748386 0.971181 1.005841 0.096 Uiso 1 1 calc R . . . . S003 S 0.78105(18) 0.82797(16) 0.87473(12) 0.0790(7) Uani 1 1 d . . . . . O3 O 0.8884(7) 0.9236(6) 0.6272(5) 0.122(3) Uani 1 1 d . . . . . S004 S 0.94534(18) 0.38361(15) 1.26158(12) 0.0786(7) Uani 1 1 d . . . . . O4 O 0.7735(6) 0.6773(5) 0.5766(4) 0.098(2) Uani 1 1 d . . . . . S005 S 0.94729(17) 0.44910(16) 1.57371(12) 0.0790(7) Uani 1 1 d . . . . . O5 O 0.5923(6) 0.9649(5) 0.3793(4) 0.111(3) Uani 1 1 d . . . . . S006 S 0.75804(19) 0.78226(18) 0.43018(12) 0.0858(8) Uani 1 1 d . . . . . O6 O 0.4582(6) 0.7340(6) 0.4142(5) 0.121(3) Uani 1 1 d . . . . . S007 S 0.60406(19) 0.86526(18) 0.56829(12) 0.0844(8) Uani 1 1 d . . . . . S008 S 0.6884(2) 0.71599(18) 0.26474(14) 0.0884(8) Uani 1 1 d . . . . . C8 C 0.5906(11) 0.6799(8) -0.1438(8) 0.133(5) Uani 1 1 d D U . . . S009 S 0.5947(2) 0.8389(2) 0.12759(13) 0.0950(9) Uani 1 1 d . . . . . F00A F 0.9039(5) 0.8103(4) 1.3114(3) 0.109(2) Uani 1 1 d . . . . . F00E F 0.9414(5) 0.7046(4) 1.2222(3) 0.115(2) Uani 1 1 d . . . . . F00F F 0.7903(7) 0.5687(6) 0.6980(3) 0.150(3) Uani 1 1 d . . . . . O00H O 0.8355(5) 0.7827(5) 0.9884(4) 0.094(2) Uani 1 1 d . . . . . C00K C 0.9393(6) 0.4952(6) 1.2029(4) 0.069(2) Uani 1 1 d . . . . . C00M C 0.9344(7) 0.4208(7) 1.1883(5) 0.076(3) Uani 1 1 d . . . . . C00O C 0.9205(6) 0.3912(6) 1.1187(4) 0.071(2) Uani 1 1 d . . . . . C00P C 0.7212(7) 0.9525(6) 0.8769(4) 0.075(3) Uani 1 1 d . . . . . C00Q C 0.8780(6) 0.5495(7) 0.9663(5) 0.076(3) Uani 1 1 d . . . . . C00R C 0.7165(7) 0.9205(6) 0.8076(5) 0.076(3) Uani 1 1 d . . . . . C00S C 0.8784(6) 0.4697(6) 0.9587(5) 0.072(2) Uani 1 1 d . . . . . N00T N 0.7175(9) 1.0802(7) 1.0801(5) 0.114(4) Uani 1 1 d . . . . . C00U C 0.8544(6) 0.3789(6) 1.4085(5) 0.078(3) Uani 1 1 d . . . . . C00Z C 0.9121(6) 0.4492(6) 1.0815(5) 0.076(3) Uani 1 1 d . . . . . C011 C 0.7546(7) 0.9066(6) 0.9215(5) 0.077(3) Uani 1 1 d . . . . . N11 N 0.6479(9) 0.5866(7) -0.0868(7) 0.130(4) Uani 1 1 d D U . . . C10 C 0.6226(10) 0.6289(8) -0.1091(8) 0.120(4) Uani 1 1 d D U . . . C012 C 0.7476(7) 0.8521(6) 0.7997(5) 0.077(3) Uani 1 1 d . . . . . N013 N 0.8056(8) 1.0381(8) 1.2735(6) 0.119(4) Uani 1 1 d . . . . . C014 C 0.8458(8) 0.7278(7) 0.6040(5) 0.085(3) Uani 1 1 d . . . . . C015 C 0.9706(6) 0.4763(6) 1.3831(5) 0.077(3) Uani 1 1 d . . . . . C016 C 0.6271(7) 0.8374(7) 0.2700(5) 0.079(3) Uani 1 1 d . . . . . H016 H 0.608360 0.881726 0.286293 0.095 Uiso 1 1 calc R . . . . C16 C 0.5153(9) 0.8058(7) -0.2202(6) 0.172(7) Uani 1 1 d . U . . . H16 H 0.524797 0.767264 -0.253403 0.206 Uiso 1 1 calc R . . . . C03W C 0.4808(9) 0.8642(8) -0.2401(5) 0.148(6) Uani 1 1 d G U . . . C03V C 0.4668(9) 0.9206(7) -0.1915(7) 0.196(9) Uani 1 1 d G U . . . C15 C 0.4873(9) 0.9186(6) -0.1230(6) 0.153(6) Uani 1 1 d G U . . . H15 H 0.477807 0.957193 -0.089815 0.183 Uiso 1 1 calc R . . . . C03Y C 0.5218(8) 0.8603(7) -0.1031(5) 0.136(5) Uani 1 1 d G U . . . C03Z C 0.5358(8) 0.8039(6) -0.1517(7) 0.140(5) Uani 1 1 d DG U . . . C017 C 0.9678(6) 0.4712(6) 1.4959(5) 0.077(3) Uani 1 1 d . . . . . O17 O 0.5502(7) 0.8923(6) 0.0147(6) 0.134(3) Uani 1 1 d . U . . . C018 C 0.6669(7) 0.8033(6) 0.3842(5) 0.080(3) Uani 1 1 d . . . . . C18 C 0.5697(12) 0.7480(8) -0.1194(7) 0.141(5) Uani 1 1 d D U . . . C019 C 0.6574(7) 0.7930(6) 0.3112(5) 0.081(3) Uani 1 1 d . . . . . F19 F 0.4347(9) 0.9790(8) -0.2079(7) 0.202(5) Uani 1 1 d . U . . . C01A C 0.9570(6) 0.4692(6) 1.3117(5) 0.080(3) Uani 1 1 d . . . . . C01B C 0.8475(8) 0.6318(7) 0.8788(5) 0.094(3) Uani 1 1 d . . . . . H01C H 0.856507 0.675563 0.911135 0.113 Uiso 1 1 calc R . . . . N01C N 0.8328(8) 0.3237(7) 0.7266(5) 0.119(4) Uani 1 1 d D . . . . C01E C 0.7415(7) 0.8206(6) 0.7314(5) 0.081(3) Uani 1 1 d . . . . . H01E H 0.758412 0.775112 0.716415 0.097 Uiso 1 1 calc R . . . . C01F C 0.8528(7) 0.3135(7) 1.4317(5) 0.086(3) Uani 1 1 d . . . . . C01G C 0.8562(7) 0.8140(7) 1.1099(5) 0.085(3) Uani 1 1 d . . . . . C01H C 0.6092(7) 0.8311(7) 0.4249(5) 0.080(3) Uani 1 1 d . . . . . C01I C 0.8562(7) 0.5636(7) 0.8967(5) 0.082(3) Uani 1 1 d . . . . . C01J C 0.6404(6) 0.8352(6) 0.4934(4) 0.078(3) Uani 1 1 d . . . . . C01K C 0.8434(7) 0.4992(7) 0.8493(5) 0.083(3) Uani 1 1 d . . . . . C01L C 0.6987(7) 1.0270(6) 0.9032(5) 0.079(3) Uani 1 1 d . . . . . H01A H 0.650960 1.019311 0.931292 0.095 Uiso 1 1 calc R . . . . H01B H 0.750704 1.056244 0.933462 0.095 Uiso 1 1 calc R . . . . C01M C 0.8026(7) 0.9256(7) 1.1162(5) 0.084(3) Uani 1 1 d D . . . . N01N N 0.8921(10) 0.2648(7) 0.9160(5) 0.126(4) Uani 1 1 d . . . . . C01O C 0.7971(7) 0.8961(7) 1.0448(5) 0.085(3) Uani 1 1 d . . . . . C01Q C 0.5238(7) 0.8492(7) 0.4006(5) 0.079(3) Uani 1 1 d . . . . . C01R C 0.6936(8) 0.8463(7) 0.6140(5) 0.086(3) Uani 1 1 d . . . . . C01S C 0.6575(7) 0.7445(7) 0.1895(5) 0.086(3) Uani 1 1 d . U . . . C01T C 0.7078(8) 0.8630(6) 0.6877(5) 0.082(3) Uani 1 1 d . . . . . C01U C 0.8586(7) 0.3686(7) 0.8547(5) 0.082(3) Uani 1 1 d D . . . . C01V C 0.8382(7) 0.7997(7) 0.6028(5) 0.080(3) Uani 1 1 d . . . . . C01W C 0.8922(8) 0.7556(7) 1.1310(6) 0.090(3) Uani 1 1 d . . . . . H01W H 0.904761 0.716716 1.099553 0.108 Uiso 1 1 calc R . . . . C01Y C 0.7794(8) 0.9878(7) 1.1450(5) 0.087(3) Uani 1 1 d D . . . . C01Z C 0.7008(7) 0.4642(8) 1.3050(6) 0.096(4) Uani 1 1 d . . . . . H01Z H 0.677853 0.420496 1.268947 0.115 Uiso 1 1 calc R . . . . C020 C 0.7416(9) 1.0394(9) 1.1070(6) 0.102(4) Uani 1 1 d . . . . . F20 F 0.4650(9) 0.8690(8) -0.3069(7) 0.209(5) Uani 1 1 d . U . . . C021 C 0.6265(7) 0.8102(6) 0.2005(5) 0.081(3) Uani 1 1 d . U . . . C022 C 0.7771(7) 0.3844(7) 1.3655(5) 0.088(3) Uani 1 1 d . . . . . C023 C 0.9426(8) 0.2629(6) 1.1331(5) 0.083(3) Uani 1 1 d . . . . . H02N H 0.895518 0.256172 1.161960 0.099 Uiso 1 1 calc R . . . . H02P H 0.998385 0.284001 1.163084 0.099 Uiso 1 1 calc R . . . . F23 F 0.8172(6) 0.6916(5) 0.7879(4) 0.131(3) Uani 1 1 d . . . . . C024 C 0.8764(8) 0.3111(8) 0.8889(6) 0.094(3) Uani 1 1 d . . . . . C24 C 0.8593(6) 0.4385(7) 0.8860(5) 0.078(3) Uani 1 1 d . . . . . C025 C 0.6711(8) 1.0712(6) 0.8521(5) 0.083(3) Uani 1 1 d . . . . . H02A H 0.615282 1.044997 0.824779 0.100 Uiso 1 1 calc R . . . . H02B H 0.715931 1.075629 0.821055 0.100 Uiso 1 1 calc R . . . . O25 O 0.8937(5) 0.5941(5) 1.0185(4) 0.089(2) Uani 1 1 d . . . . . C026 C 0.8537(8) 0.8724(7) 1.2254(6) 0.092(3) Uani 1 1 d . . . . . H026 H 0.840514 0.910330 1.257499 0.110 Uiso 1 1 calc R . . . . C26 C 0.9545(6) 0.5236(6) 1.2737(4) 0.075(3) Uani 1 1 d . . . . . H26 H 0.961990 0.573947 1.292451 0.090 Uiso 1 1 calc R . . . . C027 C 0.7312(9) 0.5270(8) 1.2732(7) 0.117(5) Uani 1 1 d . . . . . H02Q H 0.757672 0.568981 1.308532 0.176 Uiso 1 1 calc GR . . . . H02R H 0.681249 0.539280 1.245999 0.176 Uiso 1 1 calc GR . . . . H02S H 0.774904 0.514674 1.243995 0.176 Uiso 1 1 calc GR . . . . C27 C 0.9291(6) 0.4386(6) 1.4274(4) 0.069(2) Uani 1 1 d . . . . . C028 C 0.8883(8) 0.8151(8) 1.2457(6) 0.093(3) Uani 1 1 d . . . . . O28 O 0.9269(5) 0.3085(4) 1.4740(3) 0.0832(19) Uani 1 1 d . . . . . C029 C 0.9219(8) 0.3142(6) 1.0859(5) 0.084(3) Uani 1 1 d . . . . . H02T H 0.863814 0.293889 1.058942 0.101 Uiso 1 1 calc R . . . . H02U H 0.965789 0.315537 1.053989 0.101 Uiso 1 1 calc R . . . . O29 O 0.7792(4) 0.4508(4) 1.3469(3) 0.0806(19) Uani 1 1 d . . . . . C02B C 0.8313(7) 0.8251(7) 1.0409(6) 0.085(3) Uani 1 1 d . . . . . C02C C 0.7214(7) 0.8098(6) 0.5052(5) 0.081(3) Uani 1 1 d . . . . . C02D C 0.7942(9) 1.0143(8) 1.2162(7) 0.099(4) Uani 1 1 d . . . . . C02E C 0.8389(7) 0.8727(7) 1.1565(5) 0.086(3) Uani 1 1 d . . . . . C02F C 0.7523(6) 0.8173(6) 0.5746(5) 0.073(3) Uani 1 1 d . . . . . C02G C 0.9264(8) 0.7104(9) 0.6324(6) 0.101(4) Uani 1 1 d . . . . . H02G H 0.933832 0.661260 0.631992 0.121 Uiso 1 1 calc R . . . . C02H C 0.8445(8) 0.3456(8) 0.7817(6) 0.098(4) Uani 1 1 d . . . . . C02I C 0.6277(8) 0.7623(7) 0.0801(6) 0.090(3) Uani 1 1 d . U . . . C02J C 0.6380(8) 1.1924(6) 0.8292(6) 0.088(3) Uani 1 1 d . . . . . H02C H 0.686311 1.196031 0.801137 0.106 Uiso 1 1 calc R . . . . H02D H 0.583837 1.167000 0.799038 0.106 Uiso 1 1 calc R . . . . C02K C 0.9252(9) 0.2435(8) 1.5081(6) 0.102(4) Uani 1 1 d . . . . . H02V H 0.906298 0.198188 1.473162 0.123 Uiso 1 1 calc R . . . . C02L C 0.7790(9) 0.6022(8) 0.5527(6) 0.103(4) Uani 1 1 d . . . . . H02L H 0.813879 0.583022 0.588445 0.123 Uiso 1 1 calc R . . . . C02M C 0.9505(8) 0.1885(6) 1.0924(6) 0.086(3) Uani 1 1 d . . . . . H02 H 0.893935 0.166510 1.063901 0.104 Uiso 1 1 calc R . . . . H H 0.995831 0.195553 1.062117 0.104 Uiso 1 1 calc R . . . . C02N C 0.8211(10) 0.5954(9) 0.4890(7) 0.120(5) Uani 1 1 d . . . . . H02E H 0.789669 0.618087 0.455523 0.180 Uiso 1 1 calc GR . . . . H02F H 0.818554 0.543700 0.470712 0.180 Uiso 1 1 calc GR . . . . H02H H 0.882475 0.619964 0.499296 0.180 Uiso 1 1 calc GR . . . . C02O C 0.3635(8) 0.8824(9) 0.3548(6) 0.102(4) Uani 1 1 d . . . . . H02O H 0.308963 0.894271 0.338214 0.122 Uiso 1 1 calc R . . . . C02P C 0.6678(9) 0.5105(7) 0.0682(7) 0.111(4) Uani 1 1 d . U . . . H02I H 0.704452 0.503738 0.109292 0.133 Uiso 1 1 calc R . . . . H02J H 0.706379 0.516243 0.032795 0.133 Uiso 1 1 calc R . . . . C02Q C 0.9077(9) 0.7584(9) 1.1985(7) 0.110(4) Uani 1 1 d . . . . . C02R C 0.8250(10) 0.6292(8) 0.8105(6) 0.107(4) Uani 1 1 d . . . . . C02S C 0.8119(10) 0.5643(8) 0.7626(5) 0.109(4) Uani 1 1 d . . . . . C02T C 0.6625(8) 0.7145(7) 0.1215(6) 0.092(3) Uani 1 1 d . U . . . C02U C 0.5182(8) 0.9161(8) 0.3824(6) 0.095(3) Uani 1 1 d . . . . . C02V C 0.5847(9) 1.3871(7) 0.8325(7) 0.108(4) Uani 1 1 d . . . . . H02K H 0.640101 1.414977 0.859213 0.129 Uiso 1 1 calc R . . . . H02M H 0.540583 1.382004 0.863990 0.129 Uiso 1 1 calc R . . . . C02W C 0.9857(8) 0.8402(8) 0.6588(6) 0.098(4) Uani 1 1 d . . . . . H02W H 1.033746 0.878364 0.677235 0.118 Uiso 1 1 calc R . . . . C02X C 0.6163(9) 0.7459(8) 0.0074(7) 0.107(4) Uani 1 1 d . U . . . H02X H 0.636892 0.702496 -0.008942 0.128 Uiso 1 1 calc R . . . . C02Y C 0.3646(8) 0.8139(8) 0.3715(6) 0.102(4) Uani 1 1 d . . . . . H02Y H 0.312556 0.778964 0.367716 0.123 Uiso 1 1 calc R . . . . C02Z C 0.4385(10) 0.9337(9) 0.3615(6) 0.110(4) Uani 1 1 d . . . . . H02Z H 0.435207 0.980988 0.351717 0.132 Uiso 1 1 calc R . . . . C030 C 0.9920(10) 0.7670(9) 0.6599(6) 0.107(4) Uani 1 1 d . . . . . H030 H 1.044994 0.756441 0.681018 0.128 Uiso 1 1 calc R . . . . C031 C 0.9751(9) 0.1377(7) 1.1396(7) 0.098(3) Uani 1 1 d . . . . . H03Y H 0.926965 0.126932 1.166653 0.118 Uiso 1 1 calc R . . . . HA H 1.028338 0.162077 1.171318 0.118 Uiso 1 1 calc R . . . . C032 C 0.6257(8) 1.2672(7) 0.8576(6) 0.094(3) Uani 1 1 d . . . . . H03A H 0.680974 1.293590 0.885678 0.112 Uiso 1 1 calc R . . . . H03B H 0.579563 1.263699 0.887521 0.112 Uiso 1 1 calc R . . . . C033 C 0.6589(8) 1.1468(7) 0.8827(5) 0.090(3) Uani 1 1 d . . . . . H03C H 0.713078 1.171888 0.912854 0.108 Uiso 1 1 calc R . . . . H03D H 0.610501 1.142650 0.910601 0.108 Uiso 1 1 calc R . . . . C034 C 0.6969(9) 0.6486(7) 0.0985(7) 0.105(4) Uani 1 1 d . U . . . H03E H 0.744379 0.643586 0.133457 0.126 Uiso 1 1 calc R . . . . H03F H 0.723037 0.654192 0.056638 0.126 Uiso 1 1 calc R . . . . C035 C 0.6000(9) 1.3115(7) 0.8031(7) 0.104(4) Uani 1 1 d . . . . . H03G H 0.647060 1.316452 0.774090 0.125 Uiso 1 1 calc R . . . . H03H H 0.545775 1.284400 0.774077 0.125 Uiso 1 1 calc R . . . . C036 C 0.8205(8) 0.5012(8) 0.7815(6) 0.101(4) Uani 1 1 d . . . . . H036 H 0.811083 0.457727 0.748753 0.121 Uiso 1 1 calc R . . . . C037 C 0.4477(8) 0.7993(7) 0.3945(6) 0.090(3) Uani 1 1 d . . . . . C038 C 0.9062(8) 0.8550(7) 0.6296(6) 0.093(3) Uani 1 1 d . . . . . C039 C 0.7820(10) 0.2518(8) 1.4096(7) 0.120(5) Uani 1 1 d . . . . . H039 H 0.784661 0.206057 1.423287 0.144 Uiso 1 1 calc R . . . . C03A C 1.0203(8) 0.2477(8) 1.5371(6) 0.107(4) Uani 1 1 d . . . . . H03Z H 1.055748 0.242378 1.499977 0.160 Uiso 1 1 calc GR . . . . HB H 1.024929 0.208544 1.563280 0.160 Uiso 1 1 calc GR . . . . HC H 1.041556 0.295048 1.566669 0.160 Uiso 1 1 calc GR . . . . C03B C 0.5532(11) 1.4313(8) 0.7799(8) 0.128(5) Uani 1 1 d . . . . . H03I H 0.595003 1.435087 0.747115 0.192 Uiso 1 1 calc GR . . . . H03J H 0.549149 1.480303 0.802698 0.192 Uiso 1 1 calc GR . . . . H03K H 0.495360 1.406865 0.756132 0.192 Uiso 1 1 calc GR . . . . C03C C 0.5835(9) 0.7772(8) -0.0435(7) 0.108(4) Uani 1 1 d D U . . . C03D C 0.6297(9) 0.5798(7) 0.0844(7) 0.111(4) Uani 1 1 d . U . . . H03L H 0.585851 0.582290 0.045738 0.133 Uiso 1 1 calc R . . . . H03M H 0.598693 0.576986 0.124447 0.133 Uiso 1 1 calc R . . . . C03E C 1.0532(9) -0.0507(7) 1.1116(7) 0.109(4) Uani 1 1 d . . . . . H03 H 1.000969 -0.080631 1.082078 0.130 Uiso 1 1 calc R . . . . HD H 1.098900 -0.038931 1.082639 0.130 Uiso 1 1 calc R . . . . C03F C 0.7105(10) 0.2624(9) 1.3678(8) 0.132(6) Uani 1 1 d . . . . . H0AA H 0.662339 0.223308 1.353494 0.159 Uiso 1 1 calc R . . . . C03H C 0.8638(9) 0.2437(9) 1.5602(7) 0.125(5) Uani 1 1 d . . . . . H1AA H 0.879045 0.289821 1.592477 0.188 Uiso 1 1 calc GR . . . . HE H 0.868821 0.202993 1.584399 0.188 Uiso 1 1 calc GR . . . . HF H 0.803465 0.238541 1.537866 0.188 Uiso 1 1 calc GR . . . . C03I C 0.6300(9) 0.4761(10) 1.3520(7) 0.132(5) Uani 1 1 d . . . . . H2AA H 0.655865 0.512712 1.392096 0.198 Uiso 1 1 calc GR . . . . HG H 0.607886 0.430007 1.366113 0.198 Uiso 1 1 calc GR . . . . HH H 0.581469 0.493099 1.327445 0.198 Uiso 1 1 calc GR . . . . C03J C 0.6112(12) 1.0762(9) 0.4532(8) 0.139(6) Uani 1 1 d . . . . . H03N H 0.625568 1.101977 0.416168 0.208 Uiso 1 1 calc GR . . . . H03O H 0.641828 1.104926 0.496393 0.208 Uiso 1 1 calc GR . . . . H03P H 0.547682 1.069457 0.454290 0.208 Uiso 1 1 calc GR . . . . C03K C 0.7066(10) 0.3281(8) 1.3458(7) 0.120(5) Uani 1 1 d . . . . . H3AA H 0.656169 0.334179 1.317678 0.144 Uiso 1 1 calc R . . . . C03L C 0.6387(9) 1.0046(9) 0.4423(7) 0.114(5) Uani 1 1 d . . . . . H03Q H 0.626680 0.977796 0.480330 0.137 Uiso 1 1 calc R . . . . C03M C 0.6841(10) 0.5652(9) 0.5433(8) 0.126(5) Uani 1 1 d . . . . . H03R H 0.672475 0.543038 0.583045 0.189 Uiso 1 1 calc GR . . . . H03S H 0.672271 0.527184 0.502713 0.189 Uiso 1 1 calc GR . . . . H03T H 0.645916 0.601258 0.538177 0.189 Uiso 1 1 calc GR . . . . C03N C 0.9926(9) 0.0661(7) 1.1007(7) 0.105(4) Uani 1 1 d . . . . . H4AA H 0.937109 0.038669 1.073760 0.126 Uiso 1 1 calc R . . . . HI H 1.034543 0.077333 1.068666 0.126 Uiso 1 1 calc R . . . . C03O C 1.0869(10) -0.0940(8) 1.1629(9) 0.132(6) Uani 1 1 d . . . . . H5AA H 1.115684 -0.131853 1.140340 0.199 Uiso 1 1 calc GR . . . . HJ H 1.037746 -0.116800 1.183134 0.199 Uiso 1 1 calc GR . . . . HK H 1.129256 -0.061286 1.198491 0.199 Uiso 1 1 calc GR . . . . C03P C 0.3855(13) 0.6979(11) 0.4449(10) 0.144(6) Uani 1 1 d . U . . . H03U H 0.345457 0.731275 0.461647 0.172 Uiso 1 1 calc R . . . . C03Q C 0.6797(11) 0.2741(10) 0.1009(9) 0.134(5) Uani 1 1 d . U . . . H03V H 0.677711 0.242022 0.059268 0.161 Uiso 1 1 calc R . . . . C03R C 1.0290(9) 0.0194(7) 1.1461(8) 0.116(5) Uani 1 1 d . . . . . H6AA H 0.985272 0.006627 1.176372 0.139 Uiso 1 1 calc R . . . . HL H 1.082052 0.048652 1.175109 0.139 Uiso 1 1 calc R . . . . C03U C 0.5521(10) 0.8418(9) -0.0353(8) 0.120(4) Uani 1 1 d . U . . . C03X C 0.5975(11) 0.4418(9) 0.0434(9) 0.136(5) Uani 1 1 d . U . . . H03W H 0.569318 0.444391 -0.002444 0.163 Uiso 1 1 calc R . . . . H03X H 0.551732 0.442317 0.073798 0.163 Uiso 1 1 calc R . . . . C040 C 0.9519(13) 0.9842(10) 0.6423(9) 0.138(5) Uani 1 1 d . U . . . H040 H 0.983912 0.986920 0.688727 0.166 Uiso 1 1 calc R . . . . C041 C 0.6582(11) 0.3503(9) 0.1048(8) 0.133(5) Uani 1 1 d . U . . . H04A H 0.611063 0.354913 0.133458 0.160 Uiso 1 1 calc R . . . . H04B H 0.710787 0.385953 0.127360 0.160 Uiso 1 1 calc R . . . . C042 C 1.0160(13) 0.9871(11) 0.5927(10) 0.168(7) Uani 1 1 d . U . . . H04C H 1.057286 0.954157 0.600888 0.252 Uiso 1 1 calc GR . . . . H04D H 1.048259 1.037069 0.597940 0.252 Uiso 1 1 calc GR . . . . H04E H 0.984472 0.972097 0.546518 0.252 Uiso 1 1 calc GR . . . . C043 C 0.6309(13) 0.3689(10) 0.0404(10) 0.153(6) Uani 1 1 d . U . . . H04F H 0.583642 0.329480 0.015269 0.184 Uiso 1 1 calc R . . . . H04G H 0.680995 0.370556 0.014087 0.184 Uiso 1 1 calc R . . . . C044 C 0.7362(12) 1.0183(11) 0.4366(10) 0.166(7) Uani 1 1 d . U . . . H04H H 0.754410 0.972043 0.419815 0.249 Uiso 1 1 calc GR . . . . H04I H 0.769480 1.039499 0.481302 0.249 Uiso 1 1 calc GR . . . . H04J H 0.747602 1.052115 0.405030 0.249 Uiso 1 1 calc GR . . . . C045 C 0.9056(13) 1.0482(10) 0.6417(10) 0.162(7) Uani 1 1 d . U . . . H04K H 0.867128 1.041795 0.598506 0.243 Uiso 1 1 calc GR . . . . H04L H 0.949028 1.093008 0.646932 0.243 Uiso 1 1 calc GR . . . . H04M H 0.870492 1.051671 0.679079 0.243 Uiso 1 1 calc GR . . . . C046 C 0.7037(13) 0.2541(11) 0.1670(9) 0.155(6) Uani 1 1 d . U . . . H04N H 0.711150 0.202954 0.160673 0.233 Uiso 1 1 calc GR . . . . H04O H 0.657104 0.260848 0.195163 0.233 Uiso 1 1 calc GR . . . . H04P H 0.758740 0.285254 0.189488 0.233 Uiso 1 1 calc GR . . . . C047 C 0.3432(17) 0.6386(13) 0.3954(11) 0.200(9) Uani 1 1 d . U . . . H04Q H 0.316902 0.656483 0.356211 0.300 Uiso 1 1 calc GR . . . . H04R H 0.297064 0.609531 0.414149 0.300 Uiso 1 1 calc GR . . . . H04S H 0.385853 0.608235 0.381264 0.300 Uiso 1 1 calc GR . . . . C048 C 0.4338(18) 0.6664(14) 0.5016(12) 0.220(11) Uani 1 1 d . U . . . H04T H 0.466003 0.629695 0.481364 0.331 Uiso 1 1 calc GR . . . . H04U H 0.391009 0.643661 0.527558 0.331 Uiso 1 1 calc GR . . . . H04V H 0.475117 0.705739 0.531834 0.331 Uiso 1 1 calc GR . . . . N4 N 0.558(2) 0.6457(19) -0.2775(11) 0.317(15) Uani 1 1 d D U . . . C5 C 0.578(2) 0.659(2) -0.2193(11) 0.266(13) Uani 1 1 d D U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 S001 0.0794(16) 0.0915(17) 0.0552(12) 0.0165(11) 0.0088(11) 0.0205(13) C1 0.063(6) 0.115(8) 0.062(6) 0.023(5) 0.015(4) 0.018(5) S002 0.0708(15) 0.1010(19) 0.0577(13) 0.0246(12) 0.0080(10) 0.0169(13) C2 0.079(7) 0.092(7) 0.071(6) 0.016(5) 0.008(5) 0.022(6) S003 0.0809(16) 0.1026(19) 0.0584(13) 0.0223(12) 0.0103(11) 0.0224(14) O3 0.121(7) 0.103(7) 0.128(7) 0.011(5) -0.015(6) 0.014(6) S004 0.0877(17) 0.0919(18) 0.0572(13) 0.0199(12) 0.0051(11) 0.0155(14) O4 0.094(6) 0.087(5) 0.116(6) 0.016(5) 0.013(5) 0.032(5) S005 0.0703(15) 0.111(2) 0.0561(13) 0.0224(13) 0.0073(10) 0.0099(13) O5 0.105(7) 0.135(8) 0.094(6) 0.024(5) 0.017(5) 0.015(6) S006 0.0827(17) 0.124(2) 0.0595(14) 0.0206(14) 0.0109(12) 0.0387(16) O6 0.092(6) 0.135(8) 0.144(8) 0.058(6) -0.004(5) 0.019(5) S007 0.0857(18) 0.118(2) 0.0609(14) 0.0273(14) 0.0140(12) 0.0389(16) S008 0.0915(19) 0.106(2) 0.0718(16) 0.0162(14) 0.0199(13) 0.0244(16) C8 0.133(5) 0.133(5) 0.132(5) 0.0231(13) 0.0187(12) 0.0224(13) S009 0.0802(18) 0.145(3) 0.0609(15) 0.0285(16) 0.0078(12) 0.0147(17) F00A 0.128(6) 0.135(6) 0.063(4) 0.035(4) -0.006(3) 0.013(4) F00E 0.125(6) 0.137(6) 0.084(4) 0.038(4) -0.011(4) 0.024(5) F00F 0.207(9) 0.193(9) 0.058(4) 0.046(5) -0.008(5) 0.053(7) O00H 0.105(6) 0.118(6) 0.064(4) 0.017(4) 0.007(4) 0.040(5) C00K 0.058(5) 0.104(8) 0.047(5) 0.019(5) 0.005(4) 0.015(5) C00M 0.070(6) 0.108(9) 0.058(5) 0.027(5) 0.007(4) 0.027(6) C00O 0.069(6) 0.092(7) 0.055(5) 0.020(5) 0.009(4) 0.018(5) C00P 0.086(7) 0.097(7) 0.050(5) 0.023(5) 0.015(4) 0.029(6) C00Q 0.058(5) 0.113(9) 0.056(6) 0.019(5) 0.007(4) 0.011(5) C00R 0.076(6) 0.089(7) 0.064(6) 0.018(5) 0.005(5) 0.013(5) C00S 0.057(5) 0.100(8) 0.060(5) 0.023(5) 0.010(4) 0.012(5) N00T 0.164(11) 0.117(9) 0.066(6) 0.008(6) 0.009(6) 0.058(8) C00U 0.064(6) 0.110(8) 0.060(5) 0.025(5) -0.002(4) 0.018(5) C00Z 0.059(5) 0.118(8) 0.056(5) 0.029(5) 0.006(4) 0.018(5) C011 0.084(7) 0.094(7) 0.057(5) 0.020(5) 0.006(5) 0.023(6) N11 0.129(4) 0.132(4) 0.129(4) 0.020(2) 0.021(2) 0.020(2) C10 0.120(5) 0.120(5) 0.119(5) 0.0203(13) 0.0173(12) 0.0202(13) C012 0.072(6) 0.100(8) 0.064(6) 0.025(5) 0.006(4) 0.026(5) N013 0.123(9) 0.168(12) 0.073(7) 0.028(7) 0.021(6) 0.036(8) C014 0.088(8) 0.105(9) 0.071(6) 0.016(6) 0.007(5) 0.042(7) C015 0.060(5) 0.100(8) 0.067(6) 0.011(5) 0.000(4) 0.016(5) C016 0.080(7) 0.113(8) 0.052(5) 0.023(5) 0.016(4) 0.024(6) C16 0.172(7) 0.172(7) 0.172(7) 0.0302(16) 0.0239(14) 0.0296(16) C03W 0.148(6) 0.149(6) 0.148(6) 0.0265(15) 0.0203(13) 0.0252(15) C03V 0.196(9) 0.196(9) 0.196(9) 0.0346(18) 0.0272(16) 0.0341(18) C15 0.152(6) 0.153(6) 0.152(6) 0.0268(15) 0.0211(13) 0.0263(15) C03Y 0.136(5) 0.136(5) 0.136(5) 0.0243(14) 0.0190(13) 0.0233(14) C03Z 0.139(5) 0.140(5) 0.139(5) 0.0248(14) 0.0193(13) 0.0237(14) C017 0.063(6) 0.113(8) 0.059(5) 0.024(5) 0.013(5) 0.015(5) O17 0.133(4) 0.138(4) 0.133(4) 0.025(2) 0.019(2) 0.023(2) C018 0.077(6) 0.114(8) 0.063(6) 0.033(5) 0.016(5) 0.040(6) C18 0.141(6) 0.141(6) 0.141(6) 0.0252(14) 0.0196(13) 0.0240(14) C019 0.074(6) 0.103(8) 0.070(6) 0.023(5) 0.011(5) 0.017(6) F19 0.201(5) 0.205(5) 0.200(5) 0.038(2) 0.027(2) 0.033(2) C01A 0.062(6) 0.109(8) 0.064(6) 0.012(5) 0.010(4) 0.003(5) C01B 0.104(9) 0.122(10) 0.065(6) 0.029(6) 0.009(6) 0.036(7) N01C 0.137(10) 0.149(11) 0.077(7) 0.021(7) 0.014(6) 0.040(8) C01E 0.090(7) 0.104(8) 0.057(5) 0.023(5) 0.010(5) 0.034(6) C01F 0.083(7) 0.104(8) 0.069(6) 0.024(6) -0.006(5) 0.010(6) C01G 0.075(7) 0.116(9) 0.063(6) 0.018(6) 0.006(5) 0.014(6) C01H 0.076(6) 0.113(8) 0.063(6) 0.029(5) 0.018(5) 0.037(6) C01I 0.069(6) 0.113(9) 0.065(6) 0.025(6) 0.006(5) 0.015(6) C01J 0.068(6) 0.115(8) 0.053(5) 0.020(5) 0.005(4) 0.026(6) C01K 0.070(6) 0.116(9) 0.066(6) 0.027(6) 0.004(5) 0.022(6) C01L 0.083(7) 0.089(7) 0.064(6) 0.010(5) 0.003(5) 0.021(6) C01M 0.081(7) 0.121(9) 0.055(5) 0.025(6) 0.006(5) 0.025(6) N01N 0.183(13) 0.122(9) 0.071(6) 0.020(6) -0.005(7) 0.033(9) C01O 0.084(7) 0.117(9) 0.056(5) 0.025(5) 0.010(5) 0.016(6) C01Q 0.081(7) 0.114(9) 0.052(5) 0.023(5) 0.011(5) 0.035(6) C01R 0.100(8) 0.126(9) 0.050(5) 0.037(5) 0.010(5) 0.052(7) C01S 0.081(6) 0.105(7) 0.068(5) 0.011(5) 0.016(5) 0.006(5) C01T 0.103(8) 0.086(7) 0.063(6) 0.011(5) 0.015(5) 0.037(6) C01U 0.071(6) 0.117(9) 0.059(6) 0.014(6) 0.009(5) 0.017(6) C01V 0.084(7) 0.110(9) 0.058(5) 0.023(5) 0.013(5) 0.040(7) C01W 0.087(8) 0.105(8) 0.077(7) 0.026(6) -0.001(5) 0.019(6) C01Y 0.102(8) 0.108(9) 0.055(6) 0.020(6) 0.013(5) 0.025(7) C01Z 0.067(7) 0.125(10) 0.101(8) 0.036(7) -0.014(6) 0.032(6) C020 0.107(10) 0.137(12) 0.062(7) 0.013(7) 0.016(6) 0.025(8) F20 0.209(5) 0.213(5) 0.205(5) 0.040(2) 0.028(2) 0.031(2) C021 0.077(6) 0.097(6) 0.069(5) 0.015(5) 0.011(4) 0.010(5) C022 0.070(7) 0.114(9) 0.075(7) 0.021(6) -0.008(5) 0.007(6) C023 0.087(7) 0.083(7) 0.076(6) 0.012(5) 0.008(5) 0.014(6) F23 0.178(8) 0.147(7) 0.085(5) 0.040(5) 0.010(5) 0.071(6) C024 0.099(9) 0.109(10) 0.070(7) 0.010(7) 0.007(6) 0.012(7) C24 0.061(6) 0.121(9) 0.055(5) 0.032(6) 0.007(4) 0.008(5) C025 0.089(7) 0.094(8) 0.071(6) 0.015(5) 0.008(5) 0.031(6) O25 0.094(5) 0.111(6) 0.069(4) 0.028(4) 0.004(4) 0.028(4) C026 0.097(8) 0.101(8) 0.076(7) 0.023(6) 0.007(6) 0.009(7) C26 0.068(6) 0.106(8) 0.051(5) 0.020(5) 0.004(4) 0.016(5) C027 0.100(10) 0.137(12) 0.128(11) 0.051(9) -0.004(8) 0.044(9) C27 0.058(5) 0.097(7) 0.051(5) 0.018(4) 0.001(4) 0.009(5) C028 0.098(8) 0.117(10) 0.061(6) 0.018(6) 0.000(6) 0.018(7) O28 0.087(5) 0.103(5) 0.065(4) 0.029(4) 0.001(3) 0.025(4) C029 0.103(8) 0.095(8) 0.057(5) 0.014(5) 0.007(5) 0.027(6) O29 0.073(4) 0.103(5) 0.067(4) 0.024(4) -0.008(3) 0.020(4) C02B 0.079(7) 0.102(8) 0.083(7) 0.030(6) 0.021(5) 0.019(6) C02C 0.085(7) 0.105(8) 0.057(5) 0.018(5) 0.011(5) 0.028(6) C02D 0.109(9) 0.121(10) 0.082(8) 0.029(7) 0.025(7) 0.045(8) C02E 0.086(7) 0.110(8) 0.054(5) 0.024(5) -0.014(5) 0.002(6) C02F 0.066(6) 0.103(7) 0.059(5) 0.029(5) 0.009(4) 0.030(5) C02G 0.090(8) 0.147(12) 0.077(7) 0.036(8) 0.012(6) 0.043(8) C02H 0.097(8) 0.132(11) 0.062(7) 0.015(7) 0.009(6) 0.017(7) C02I 0.090(3) 0.090(3) 0.089(3) 0.0153(11) 0.0128(11) 0.0152(11) C02J 0.086(7) 0.102(8) 0.087(7) 0.030(6) 0.020(6) 0.026(6) C02K 0.116(10) 0.127(10) 0.080(7) 0.052(7) 0.009(7) 0.038(8) C02L 0.116(10) 0.119(10) 0.078(7) 0.022(7) 0.001(7) 0.040(8) C02M 0.092(8) 0.080(7) 0.088(7) 0.019(6) 0.002(6) 0.020(6) C02N 0.120(11) 0.158(13) 0.096(9) 0.027(9) 0.018(8) 0.056(10) C02O 0.071(8) 0.151(13) 0.093(8) 0.035(8) 0.008(6) 0.036(8) C02P 0.111(4) 0.111(4) 0.111(4) 0.0193(12) 0.0154(12) 0.0195(12) C02Q 0.099(9) 0.147(12) 0.090(9) 0.066(9) -0.007(7) 0.009(8) C02R 0.138(11) 0.119(11) 0.082(8) 0.046(8) 0.015(7) 0.048(9) C02S 0.150(12) 0.135(11) 0.049(6) 0.038(7) -0.005(6) 0.040(9) C02T 0.092(3) 0.092(3) 0.092(3) 0.0160(11) 0.0128(11) 0.0158(11) C02U 0.076(7) 0.129(10) 0.089(8) 0.034(7) 0.016(6) 0.030(7) C02V 0.087(8) 0.098(9) 0.136(11) 0.010(8) 0.012(7) 0.019(7) C02W 0.076(7) 0.122(11) 0.093(8) 0.018(7) -0.003(6) 0.018(7) C02X 0.107(4) 0.107(4) 0.107(4) 0.0186(12) 0.0149(11) 0.0183(12) C02Y 0.076(7) 0.136(11) 0.100(9) 0.042(8) -0.006(6) 0.022(7) C02Z 0.116(11) 0.147(12) 0.091(8) 0.047(8) 0.020(7) 0.067(10) C030 0.106(10) 0.147(13) 0.073(7) 0.023(8) -0.002(7) 0.047(9) C031 0.094(8) 0.094(8) 0.109(9) 0.025(7) 0.006(7) 0.020(7) C032 0.095(8) 0.102(9) 0.091(8) 0.022(6) 0.022(6) 0.028(7) C033 0.095(8) 0.111(9) 0.072(6) 0.021(6) 0.013(6) 0.033(7) C034 0.105(4) 0.105(4) 0.104(4) 0.0178(12) 0.0150(11) 0.0180(12) C035 0.089(8) 0.112(10) 0.112(10) 0.024(8) 0.014(7) 0.014(7) C036 0.100(9) 0.129(11) 0.068(7) 0.023(7) 0.007(6) 0.000(7) C037 0.080(7) 0.113(9) 0.080(7) 0.030(6) -0.002(5) 0.019(7) C038 0.095(9) 0.098(9) 0.087(8) 0.017(6) 0.002(6) 0.028(7) C039 0.114(11) 0.115(10) 0.119(10) 0.044(8) -0.025(8) -0.010(8) C03A 0.101(9) 0.148(12) 0.087(8) 0.049(8) 0.012(7) 0.044(8) C03B 0.130(12) 0.106(10) 0.148(13) 0.036(9) -0.012(10) 0.026(9) C03C 0.108(4) 0.109(4) 0.108(4) 0.0189(12) 0.0153(11) 0.0184(12) C03D 0.110(4) 0.111(4) 0.110(4) 0.0192(12) 0.0157(12) 0.0192(12) C03E 0.088(8) 0.094(9) 0.138(12) 0.002(8) 0.024(8) 0.009(7) C03F 0.109(11) 0.130(12) 0.139(12) 0.051(10) -0.044(9) -0.023(9) C03H 0.093(9) 0.178(15) 0.113(10) 0.058(10) 0.017(8) 0.013(9) C03I 0.085(9) 0.192(17) 0.116(11) 0.020(11) 0.004(8) 0.026(10) C03J 0.184(17) 0.133(13) 0.097(10) 0.012(9) -0.008(10) 0.044(12) C03K 0.119(11) 0.121(11) 0.111(10) 0.041(8) -0.031(8) 0.006(9) C03L 0.109(10) 0.170(14) 0.083(8) 0.042(9) 0.022(7) 0.058(10) C03M 0.122(12) 0.132(12) 0.126(12) 0.034(9) 0.032(9) 0.010(10) C03N 0.089(8) 0.095(9) 0.135(11) 0.023(8) 0.007(7) 0.029(7) C03O 0.095(10) 0.096(10) 0.204(17) 0.037(10) -0.009(10) 0.021(8) C03P 0.139(9) 0.140(9) 0.152(9) 0.038(8) 0.004(8) 0.022(8) C03Q 0.134(5) 0.134(5) 0.134(5) 0.0233(14) 0.0188(12) 0.0232(14) C03R 0.082(8) 0.099(10) 0.164(13) 0.034(9) -0.011(8) 0.018(7) C03U 0.120(5) 0.121(5) 0.120(5) 0.0214(13) 0.0164(12) 0.0205(13) C03X 0.135(5) 0.136(5) 0.136(5) 0.0237(14) 0.0190(12) 0.0237(14) C040 0.142(9) 0.140(9) 0.133(9) 0.031(7) 0.012(7) 0.023(8) C041 0.133(5) 0.133(5) 0.133(5) 0.0231(13) 0.0185(12) 0.0233(14) C042 0.156(14) 0.186(15) 0.169(14) 0.059(12) 0.042(11) 0.009(11) C043 0.153(6) 0.153(6) 0.153(6) 0.0269(15) 0.0213(13) 0.0266(15) C044 0.122(12) 0.188(15) 0.172(14) -0.015(11) 0.027(10) 0.018(11) C045 0.147(13) 0.146(13) 0.188(14) 0.012(11) 0.006(11) 0.036(11) C046 0.155(7) 0.155(7) 0.156(7) 0.027(2) 0.021(2) 0.028(2) C047 0.228(18) 0.201(16) 0.170(15) 0.069(13) 0.000(13) 0.014(14) C048 0.256(19) 0.232(18) 0.178(15) 0.085(14) 0.019(14) 0.016(15) N4 0.317(15) 0.317(15) 0.316(15) 0.056(3) 0.044(3) 0.054(3) C5 0.266(13) 0.266(13) 0.266(13) 0.047(3) 0.037(2) 0.046(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 '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' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 C00R S001 C01T 90.9(5) . . ? C00S C1 C00Z 135.0(11) . . ? C00K S002 C00Z 90.2(5) . . ? C01O C2 C011 135.7(11) . . ? C012 S003 C011 92.3(5) . . ? C040 O3 C038 122.5(12) . . ? C00M S004 C01A 91.2(5) . . ? C014 O4 C02L 121.9(9) . . ? C017 S005 C015 90.8(5) . 2_768 ? C02U O5 C03L 116.5(10) . . ? C02C S006 C018 91.5(5) . . ? C037 O6 C03P 116.3(11) . . ? C01R S007 C01J 91.5(5) . . ? C01S S008 C019 90.5(5) . . ? C10 C8 C18 130.5(15) . . ? C10 C8 C5 114.8(18) . . ? C18 C8 C5 114.6(19) . . ? C021 S009 C02I 89.9(6) . . ? C00M C00K S002 113.2(7) . . ? C00M C00K C26 113.2(9) . . ? C26 C00K S002 133.6(9) . . ? C00K C00M S004 111.5(7) . . ? C00K C00M C00O 114.5(9) . . ? C00O C00M S004 133.9(9) . . ? C00M C00O C00Z 108.3(9) . . ? C00M C00O C029 127.8(9) . . ? C00Z C00O C029 123.6(8) . . ? C00R C00P C011 111.3(9) . . ? C00R C00P C01L 125.9(8) . . ? C011 C00P C01L 122.7(8) . . ? C01I C00Q C00S 105.6(9) . . ? O25 C00Q C00S 127.5(9) . . ? O25 C00Q C01I 126.9(11) . . ? C00P C00R S001 135.5(8) . . ? C00P C00R C012 112.2(9) . . ? C012 C00R S001 112.3(7) . . ? C1 C00S C00Q 126.7(9) . . ? C1 C00S C24 125.2(11) . . ? C24 C00S C00Q 108.1(8) . . ? C01F C00U C022 115.3(11) . . ? C01F C00U C27 122.3(9) . . ? C022 C00U C27 122.3(10) . . ? C1 C00Z S002 128.0(8) . . ? C1 C00Z C00O 118.2(10) . . ? C00O C00Z S002 113.7(7) . . ? C2 C011 S003 126.3(8) . . ? C2 C011 C00P 122.6(10) . . ? C00P C011 S003 111.1(7) . . ? N11 C10 C8 174.7(19) . . ? C00R C012 S003 113.1(8) . . ? C01E C012 S003 135.2(9) . . ? C01E C012 C00R 111.7(9) . . ? O4 C014 C01V 116.0(9) . . ? O4 C014 C02G 124.0(12) . . ? C01V C014 C02G 120.0(13) . . ? C01A C015 S005 115.4(8) . 2_768 ? C27 C015 S005 112.3(7) . 2_768 ? C27 C015 C01A 132.3(10) . . ? C019 C016 C021 112.7(10) . . ? C03W C16 C03Z 120.0 . . ? C16 C03W C03V 120.0 . . ? F20 C03W C16 120.7(13) . . ? F20 C03W C03V 119.2(13) . . ? C03W C03V C15 120.0 . . ? F19 C03V C03W 122.6(12) . . ? F19 C03V C15 117.4(12) . . ? C03Y C15 C03V 120.0 . . ? C15 C03Y C03U 133.8(11) . . ? C03Z C03Y C15 120.0 . . ? C03Z C03Y C03U 106.2(11) . . ? C16 C03Z C18 129.5(11) . . ? C03Y C03Z C16 120.0 . . ? C03Y C03Z C18 110.5(11) . . ? C017 C017 S005 110.7(10) 2_768 . ? C017 C017 C27 117.5(11) 2_768 . ? C27 C017 S005 131.9(8) . . ? C019 C018 S006 120.7(7) . . ? C01H C018 S006 113.2(7) . . ? C01H C018 C019 126.0(9) . . ? C8 C18 C03Z 134.0(13) . . ? C8 C18 C03C 120.0(13) . . ? C03Z C18 C03C 106.0(12) . . ? C016 C019 S008 112.0(8) . . ? C016 C019 C018 127.9(10) . . ? C018 C019 S008 120.0(8) . . ? C015 C01A S004 119.7(9) . . ? C26 C01A S004 112.2(8) . . ? C26 C01A C015 128.0(11) . . ? C02R C01B C01I 114.0(12) . . ? C01T C01E C012 112.8(10) . . ? C00U C01F C039 123.1(10) . . ? O28 C01F C00U 115.4(10) . . ? O28 C01F C039 121.4(10) . . ? C01W C01G C02B 128.1(11) . . ? C01W C01G C02E 122.5(10) . . ? C02E C01G C02B 109.4(10) . . ? C018 C01H C01J 110.5(8) . . ? C018 C01H C01Q 125.8(9) . . ? C01J C01H C01Q 123.6(8) . . ? C01B C01I C00Q 126.0(11) . . ? C01K C01I C00Q 110.9(10) . . ? C01K C01I C01B 123.1(10) . . ? C01H C01J S007 134.6(8) . . ? C01H C01J C02C 114.3(9) . . ? C02C C01J S007 111.1(7) . . ? C01I C01K C24 108.3(9) . . ? C036 C01K C01I 119.4(11) . . ? C036 C01K C24 132.3(12) . . ? C025 C01L C00P 117.5(8) . . ? C01O C01M C02E 108.1(10) . . ? C01Y C01M C01O 128.5(10) . . ? C01Y C01M C02E 123.4(9) . . ? C2 C01O C01M 126.9(11) . . ? C2 C01O C02B 126.6(10) . . ? C01M C01O C02B 106.4(9) . . ? C02U C01Q C01H 121.0(11) . . ? C037 C01Q C01H 120.8(11) . . ? C037 C01Q C02U 118.2(10) . . ? C01T C01R S007 121.6(8) . . ? C02F C01R S007 114.1(7) . . ? C02F C01R C01T 124.3(9) . . ? C021 C01S S008 111.9(8) . . ? C021 C01S C02T 116.8(10) . . ? C02T C01S S008 131.2(10) . . ? C01E C01T S001 112.2(7) . . ? C01E C01T C01R 126.7(9) . . ? C01R C01T S001 121.1(8) . . ? C024 C01U C02H 111.8(11) . . ? C24 C01U C024 124.7(9) . . ? C24 C01U C02H 123.5(11) . . ? C014 C01V C02F 119.4(11) . . ? C038 C01V C014 121.0(10) . . ? C038 C01V C02F 119.5(11) . . ? C02Q C01W C01G 115.7(12) . . ? C01M C01Y C020 124.6(9) . . ? C01M C01Y C02D 123.5(10) . . ? C02D C01Y C020 111.7(10) . . ? C027 C01Z O29 106.1(10) . . ? C027 C01Z C03I 114.8(12) . . ? O29 C01Z C03I 107.9(9) . . ? N00T C020 C01Y 176.4(17) . . ? C016 C021 S009 134.2(9) . . ? C01S C021 S009 112.9(8) . . ? C01S C021 C016 112.9(10) . . ? O29 C022 C00U 113.6(10) . . ? O29 C022 C03K 123.3(10) . . ? C03K C022 C00U 123.2(12) . . ? C029 C023 C02M 110.3(9) . . ? N01N C024 C01U 178.8(15) . . ? C00S C24 C01K 107.1(10) . . ? C01U C24 C00S 128.8(9) . . ? C01U C24 C01K 124.1(9) . . ? C01L C025 C033 113.8(9) . . ? C028 C026 C02E 117.4(12) . . ? C01A C26 C00K 111.9(10) . . ? C015 C27 C00U 125.7(8) . . ? C015 C27 C017 108.8(9) . . ? C017 C27 C00U 125.4(8) . . ? F00A C028 C026 121.2(12) . . ? F00A C028 C02Q 117.1(11) . . ? C026 C028 C02Q 121.7(10) . . ? C01F O28 C02K 118.2(9) . . ? C023 C029 C00O 116.1(8) . . ? C022 O29 C01Z 118.4(9) . . ? O00H C02B C01G 125.8(11) . . ? O00H C02B C01O 126.1(10) . . ? C01G C02B C01O 108.1(10) . . ? C01J C02C S006 110.5(7) . . ? C02F C02C S006 136.8(8) . . ? C02F C02C C01J 112.6(9) . . ? N013 C02D C01Y 177.6(14) . . ? C01G C02E C01M 108.0(8) . . ? C026 C02E C01G 119.8(11) . . ? C026 C02E C01M 132.2(11) . . ? C01R C02F C01V 124.3(8) . . ? C01R C02F C02C 110.7(8) . . ? C02C C02F C01V 125.0(8) . . ? C030 C02G C014 117.2(13) . . ? N01C C02H C01U 175.6(16) . . ? C02T C02I S009 113.8(9) . . ? C02X C02I S009 124.0(10) . . ? C02X C02I C02T 122.1(11) . . ? C032 C02J C033 113.8(10) . . ? O28 C02K C03A 103.7(11) . . ? O28 C02K C03H 112.0(11) . . ? C03H C02K C03A 113.8(10) . . ? O4 C02L C02N 110.5(12) . . ? O4 C02L C03M 102.3(11) . . ? C02N C02L C03M 114.3(12) . . ? C031 C02M C023 110.6(9) . . ? C02Z C02O C02Y 122.3(11) . . ? C03D C02P C03X 113.3(12) . . ? F00E C02Q C01W 119.0(14) . . ? F00E C02Q C028 118.2(11) . . ? C01W C02Q C028 122.8(12) . . ? C01B C02R C02S 123.0(11) . . ? F23 C02R C01B 118.9(13) . . ? F23 C02R C02S 118.1(11) . . ? F00F C02S C02R 117.6(12) . . ? C036 C02S F00F 121.4(13) . . ? C036 C02S C02R 121.0(10) . . ? C01S C02T C02I 106.4(11) . . ? C01S C02T C034 126.2(12) . . ? C02I C02T C034 127.3(11) . . ? O5 C02U C01Q 121.2(10) . . ? C02Z C02U O5 117.6(13) . . ? C02Z C02U C01Q 121.0(13) . . ? C035 C02V C03B 114.9(12) . . ? C038 C02W C030 117.5(13) . . ? C03C C02X C02I 135.7(13) . . ? C02O C02Y C037 115.9(13) . . ? C02U C02Z C02O 119.5(13) . . ? C02G C030 C02W 123.6(12) . . ? C02M C031 C03N 111.8(11) . . ? C02J C032 C035 113.4(10) . . ? C025 C033 C02J 112.4(9) . . ? C02T C034 C03D 114.4(12) . . ? C02V C035 C032 113.2(11) . . ? C02S C036 C01K 119.5(13) . . ? O6 C037 C02Y 122.0(12) . . ? C01Q C037 O6 115.0(10) . . ? C01Q C037 C02Y 123.0(12) . . ? O3 C038 C02W 124.6(13) . . ? C01V C038 O3 114.7(11) . . ? C01V C038 C02W 120.6(12) . . ? C03F C039 C01F 117.0(13) . . ? C02X C03C C18 128.3(13) . . ? C02X C03C C03U 125.2(14) . . ? C03U C03C C18 106.5(13) . . ? C034 C03D C02P 114.0(12) . . ? C03O C03E C03R 111.3(13) . . ? C039 C03F C03K 122.2(14) . . ? C022 C03K C03F 119.0(12) . . ? O5 C03L C03J 107.4(11) . . ? O5 C03L C044 108.7(12) . . ? C03J C03L C044 107.1(16) . . ? C03R C03N C031 112.8(12) . . ? O6 C03P C048 102.8(15) . . ? C047 C03P O6 105.3(18) . . ? C047 C03P C048 106.9(19) . . ? C046 C03Q C041 114.2(16) . . ? C03N C03R C03E 116.4(13) . . ? O17 C03U C03Y 113.3(13) . . ? O17 C03U C03C 135.7(15) . . ? C03C C03U C03Y 110.6(13) . . ? C02P C03X C043 115.4(14) . . ? O3 C040 C042 113.5(16) . . ? O3 C040 C045 106.4(16) . . ? C042 C040 C045 108.5(17) . . ? C043 C041 C03Q 114.4(15) . . ? C041 C043 C03X 115.4(16) . . ? N4 C5 C8 171(4) . . ? 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 S001 C00R 1.711(10) . ? S001 C01T 1.756(10) . ? C1 C00S 1.362(13) . ? C1 C00Z 1.426(13) . ? S002 C00K 1.706(9) . ? S002 C00Z 1.726(12) . ? C2 C011 1.385(13) . ? C2 C01O 1.366(14) . ? S003 C011 1.759(11) . ? S003 C012 1.696(9) . ? O3 C038 1.370(15) . ? O3 C040 1.36(2) . ? S004 C00M 1.733(9) . ? S004 C01A 1.738(12) . ? O4 C014 1.358(14) . ? O4 C02L 1.441(15) . ? S005 C015 1.784(11) 2_768 ? S005 C017 1.735(9) . ? O5 C02U 1.374(15) . ? O5 C03L 1.426(16) . ? S006 C018 1.740(10) . ? S006 C02C 1.710(10) . ? O6 C037 1.379(15) . ? O6 C03P 1.48(2) . ? S007 C01J 1.716(10) . ? S007 C01R 1.702(10) . ? S008 C019 1.764(12) . ? S008 C01S 1.730(11) . ? C8 C10 1.395(13) . ? C8 C18 1.401(12) . ? C8 C5 1.495(16) . ? S009 C021 1.694(11) . ? S009 C02I 1.783(12) . ? F00A C028 1.341(12) . ? F00E C02Q 1.339(14) . ? F00F C02S 1.326(12) . ? O00H C02B 1.237(13) . ? C00K C00M 1.377(15) . ? C00K C26 1.425(13) . ? C00M C00O 1.407(13) . ? C00O C00Z 1.432(14) . ? C00O C029 1.503(14) . ? C00P C00R 1.421(13) . ? C00P C011 1.451(13) . ? C00P C01L 1.529(14) . ? C00Q C00S 1.487(16) . ? C00Q C01I 1.483(13) . ? C00Q O25 1.216(12) . ? C00R C012 1.439(15) . ? C00S C24 1.471(14) . ? N00T C020 1.096(16) . ? C00U C01F 1.384(15) . ? C00U C022 1.431(13) . ? C00U C27 1.458(15) . ? N11 C10 1.079(12) . ? C012 C01E 1.400(14) . ? N013 C02D 1.157(15) . ? C014 C01V 1.382(16) . ? C014 C02G 1.427(15) . ? C015 C01A 1.414(14) . ? C015 C27 1.379(14) . ? C016 C019 1.366(14) . ? C016 C021 1.415(14) . ? C16 C03W 1.3900 . ? C16 C03Z 1.3900 . ? C03W C03V 1.3900 . ? C03W F20 1.363(15) . ? C03V C15 1.3900 . ? C03V F19 1.349(15) . ? C15 C03Y 1.3900 . ? C03Y C03Z 1.3900 . ? C03Y C03U 1.508(17) . ? C03Z C18 1.456(14) . ? C017 C017 1.34(2) 2_768 ? C017 C27 1.444(13) . ? O17 C03U 1.280(17) . ? C018 C019 1.442(14) . ? C018 C01H 1.390(13) . ? C18 C03C 1.523(15) . ? C01A C26 1.374(15) . ? C01B C01I 1.409(16) . ? C01B C02R 1.375(16) . ? N01C C02H 1.108(14) . ? C01E C01T 1.392(13) . ? C01F O28 1.382(12) . ? C01F C039 1.449(17) . ? C01G C01W 1.411(16) . ? C01G C02B 1.460(15) . ? C01G C02E 1.415(16) . ? C01H C01J 1.399(13) . ? C01H C01Q 1.475(13) . ? C01I C01K 1.396(16) . ? C01J C02C 1.426(14) . ? C01K C24 1.494(15) . ? C01K C036 1.380(15) . ? C01L C025 1.490(13) . ? C01M C01O 1.448(14) . ? C01M C01Y 1.344(13) . ? C01M C02E 1.516(14) . ? N01N C024 1.143(16) . ? C01O C02B 1.509(16) . ? C01Q C02U 1.379(16) . ? C01Q C037 1.375(16) . ? C01R C01T 1.453(13) . ? C01R C02F 1.394(13) . ? C01S C021 1.392(16) . ? C01S C02T 1.416(15) . ? C01U C024 1.417(18) . ? C01U C24 1.367(15) . ? C01U C02H 1.451(15) . ? C01V C02F 1.501(13) . ? C01V C038 1.362(17) . ? C01W C02Q 1.348(16) . ? C01Y C020 1.480(18) . ? C01Y C02D 1.425(17) . ? C01Z C027 1.473(18) . ? C01Z O29 1.483(11) . ? C01Z C03I 1.551(18) . ? C022 O29 1.359(14) . ? C022 C03K 1.379(18) . ? C023 C029 1.503(14) . ? C023 C02M 1.540(15) . ? F23 C02R 1.343(14) . ? C025 C033 1.511(15) . ? C026 C028 1.377(17) . ? C026 C02E 1.385(14) . ? C028 C02Q 1.408(19) . ? O28 C02K 1.494(13) . ? C02C C02F 1.406(13) . ? C02G C030 1.357(19) . ? C02I C02T 1.443(16) . ? C02I C02X 1.436(17) . ? C02J C032 1.487(16) . ? C02J C033 1.518(14) . ? C02K C03A 1.515(17) . ? C02K C03H 1.497(18) . ? C02L C02N 1.502(17) . ? C02L C03M 1.513(19) . ? C02M C031 1.512(15) . ? C02O C02Y 1.385(18) . ? C02O C02Z 1.38(2) . ? C02P C03D 1.522(18) . ? C02P C03X 1.54(2) . ? C02R C02S 1.408(19) . ? C02S C036 1.327(18) . ? C02T C034 1.459(16) . ? C02U C02Z 1.372(16) . ? C02V C035 1.521(17) . ? C02V C03B 1.531(18) . ? C02W C030 1.402(19) . ? C02W C038 1.398(16) . ? C02X C03C 1.352(17) . ? C02Y C037 1.407(15) . ? C031 C03N 1.530(17) . ? C032 C035 1.534(16) . ? C034 C03D 1.502(18) . ? C039 C03F 1.380(18) . ? C03C C03U 1.374(19) . ? C03E C03O 1.512(19) . ? C03E C03R 1.516(18) . ? C03F C03K 1.386(19) . ? C03J C03L 1.47(2) . ? C03L C044 1.52(2) . ? C03N C03R 1.494(17) . ? C03P C047 1.40(3) . ? C03P C048 1.54(3) . ? C03Q C041 1.52(2) . ? C03Q C046 1.46(2) . ? C03X C043 1.54(2) . ? C040 C042 1.49(2) . ? C040 C045 1.50(2) . ? C041 C043 1.43(2) . ? N4 C5 1.158(16) . ?