data_bk102a_0m _audit_creation_method 'SHELXL-2016/6' _shelx_SHELXL_version_number '2016/6' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C57 H75 Cl3 Fe3 N6' _chemical_formula_weight 1118.13 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' _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. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.6922(5) _cell_length_b 13.0313(5) _cell_length_c 16.6470(6) _cell_angle_alpha 76.0639(7) _cell_angle_beta 84.1498(7) _cell_angle_gamma 84.0536(7) _cell_volume 2649.46(17) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 7084 _cell_measurement_theta_min 2.19 _cell_measurement_theta_max 29.59 _exptl_crystal_description shard _exptl_crystal_colour orange _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 1.402 _exptl_crystal_F_000 1176 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.138 _exptl_crystal_size_mid 0.130 _exptl_crystal_size_min 0.088 _exptl_absorpt_coefficient_mu 1.006 _shelx_estimated_absorpt_T_min 0.874 _shelx_estimated_absorpt_T_max 0.917 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6772 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_process_details 'SADABS' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 65920 _diffrn_reflns_av_unetI/netI 0.0905 _diffrn_reflns_av_R_equivalents 0.0897 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 1.264 _diffrn_reflns_theta_max 29.999 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 15433 _reflns_number_gt 10032 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0480P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 15433 _refine_ls_number_parameters 634 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1038 _refine_ls_R_factor_gt 0.0570 _refine_ls_wR_factor_ref 0.1130 _refine_ls_wR_factor_gt 0.1025 _refine_ls_goodness_of_fit_ref 1.002 _refine_ls_restrained_S_all 1.002 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 Fe1 Fe 0.48474(3) 0.59502(3) 0.80390(2) 0.01517(9) Uani 1 1 d . . . . . Fe2 Fe 0.73400(3) 0.69692(3) 0.77787(2) 0.01289(9) Uani 1 1 d . . . . . Fe3 Fe 0.76374(3) 0.62148(3) 0.58982(2) 0.01715(9) Uani 1 1 d . . . . . Cl1 Cl 0.57048(5) 0.66924(5) 0.88891(3) 0.01445(13) Uani 1 1 d . . . . . Cl2 Cl 0.87833(5) 0.69968(5) 0.64972(4) 0.01690(13) Uani 1 1 d . . . . . Cl3 Cl 0.63254(5) 0.61493(5) 0.70312(3) 0.01344(12) Uani 1 1 d . . . . . N1 N 0.34713(16) 0.65841(16) 0.75850(12) 0.0129(4) Uani 1 1 d . . . . . N2 N 0.44577(16) 0.44604(16) 0.83996(12) 0.0131(4) Uani 1 1 d . . . . . N3 N 0.73964(16) 0.85100(16) 0.77130(12) 0.0122(4) Uani 1 1 d . . . . . N4 N 0.83813(16) 0.63637(16) 0.86230(12) 0.0113(4) Uani 1 1 d . . . . . N5 N 0.69793(17) 0.68565(17) 0.48346(12) 0.0165(5) Uani 1 1 d . . . . . N6 N 0.80386(16) 0.47781(17) 0.57037(12) 0.0140(4) Uani 1 1 d . . . . . C1 C 0.25925(19) 0.6083(2) 0.78442(14) 0.0130(5) Uani 1 1 d . . . . . C2 C 0.2591(2) 0.5019(2) 0.82980(15) 0.0152(5) Uani 1 1 d . . . . . H2 H 0.190439 0.477814 0.847044 0.018 Uiso 1 1 calc R U . . . C3 C 0.34372(19) 0.4258(2) 0.85372(15) 0.0134(5) Uani 1 1 d . . . . . C4 C 0.1517(2) 0.6669(2) 0.76687(16) 0.0179(5) Uani 1 1 d . . . . . H4A H 0.144369 0.731057 0.788553 0.027 Uiso 1 1 calc R U . . . H4B H 0.095607 0.620949 0.793895 0.027 Uiso 1 1 calc R U . . . H4C H 0.145374 0.686645 0.706811 0.027 Uiso 1 1 calc R U . . . C5 C 0.3143(2) 0.3157(2) 0.89826(16) 0.0186(6) Uani 1 1 d . . . . . H5A H 0.346679 0.264374 0.866696 0.028 Uiso 1 1 calc R U . . . H5B H 0.236861 0.314125 0.903142 0.028 Uiso 1 1 calc R U . . . H5C H 0.340342 0.297270 0.953795 0.028 Uiso 1 1 calc R U . . . C6 C 0.80337(19) 0.8824(2) 0.81776(15) 0.0135(5) Uani 1 1 d . . . . . C7 C 0.8673(2) 0.8126(2) 0.87570(15) 0.0144(5) Uani 1 1 d . . . . . H7 H 0.906401 0.847124 0.905674 0.017 Uiso 1 1 calc R U . . . C8 C 0.88337(19) 0.7016(2) 0.89687(14) 0.0128(5) Uani 1 1 d . . . . . C9 C 0.8095(2) 0.9999(2) 0.81085(16) 0.0178(5) Uani 1 1 d . . . . . H9A H 0.835675 1.033829 0.754200 0.027 Uiso 1 1 calc R U . . . H9B H 0.858246 1.009336 0.850093 0.027 Uiso 1 1 calc R U . . . H9C H 0.738719 1.032508 0.823797 0.027 Uiso 1 1 calc R U . . . C10 C 0.9585(2) 0.6540(2) 0.96401(15) 0.0179(6) Uani 1 1 d . . . . . H10A H 0.920832 0.606535 1.010214 0.027 Uiso 1 1 calc R U . . . H10B H 0.984252 0.711008 0.984022 0.027 Uiso 1 1 calc R U . . . H10C H 1.018931 0.613869 0.941152 0.027 Uiso 1 1 calc R U . . . C11 C 0.72735(19) 0.6429(2) 0.41846(14) 0.0148(5) Uani 1 1 d . . . . . C12 C 0.7928(2) 0.5484(2) 0.42252(14) 0.0164(5) Uani 1 1 d . . . . . H12 H 0.820507 0.535896 0.370207 0.020 Uiso 1 1 calc R U . . . C13 C 0.8240(2) 0.4691(2) 0.49160(15) 0.0160(5) Uani 1 1 d . . . . . C14 C 0.6885(2) 0.6961(2) 0.33425(15) 0.0203(6) Uani 1 1 d . . . . . H14A H 0.610849 0.697947 0.337472 0.030 Uiso 1 1 calc R U . . . H14B H 0.719282 0.656016 0.293454 0.030 Uiso 1 1 calc R U . . . H14C H 0.710317 0.768651 0.317272 0.030 Uiso 1 1 calc R U . . . C15 C 0.8809(2) 0.3681(2) 0.47387(16) 0.0242(6) Uani 1 1 d . . . . . H15A H 0.948548 0.353615 0.499747 0.036 Uiso 1 1 calc R U . . . H15B H 0.894572 0.376401 0.413727 0.036 Uiso 1 1 calc R U . . . H15C H 0.836601 0.308958 0.496627 0.036 Uiso 1 1 calc R U . . . C16 C 0.3352(2) 0.7698(2) 0.70889(17) 0.0186(6) Uani 1 1 d . . . . . H16A H 0.307360 0.817255 0.745847 0.022 Uiso 1 1 calc R U . . . H16B H 0.283621 0.775588 0.666942 0.022 Uiso 1 1 calc R U . . . C17 C 0.44168(19) 0.80418(19) 0.66559(15) 0.0130(5) Uani 1 1 d . . . . . C18 C 0.4788(2) 0.7787(2) 0.58982(15) 0.0148(5) Uani 1 1 d . . . . . C19 C 0.5776(2) 0.8103(2) 0.55156(14) 0.0155(5) Uani 1 1 d . . . . . C20 C 0.64039(19) 0.8654(2) 0.58894(15) 0.0141(5) Uani 1 1 d . . . . . C21 C 0.60513(19) 0.88574(19) 0.66709(15) 0.0127(5) Uani 1 1 d . . . . . C22 C 0.5047(2) 0.85876(19) 0.70391(14) 0.0124(5) Uani 1 1 d . . . . . C23 C 0.4481(2) 0.5963(2) 0.56619(18) 0.0247(6) Uani 1 1 d . . . . . H23A H 0.522346 0.586536 0.544644 0.037 Uiso 1 1 calc R U . . . H23B H 0.403052 0.561932 0.537848 0.037 Uiso 1 1 calc R U . . . H23C H 0.441377 0.564477 0.625953 0.037 Uiso 1 1 calc R U . . . C24 C 0.4132(2) 0.7149(2) 0.55076(18) 0.0236(6) Uani 1 1 d . . . . . H24A H 0.416582 0.745110 0.490087 0.028 Uiso 1 1 calc R U . . . H24B H 0.338062 0.723492 0.572566 0.028 Uiso 1 1 calc R U . . . C25 C 0.6210(2) 0.7816(2) 0.47024(15) 0.0222(6) Uani 1 1 d . . . . . H25A H 0.561190 0.768626 0.441199 0.027 Uiso 1 1 calc R U . . . H25B H 0.656719 0.842224 0.434166 0.027 Uiso 1 1 calc R U . . . C26 C 0.7419(2) 0.9082(2) 0.54299(17) 0.0222(6) Uani 1 1 d . . . . . H26A H 0.772210 0.862318 0.505386 0.027 Uiso 1 1 calc R U . . . H26B H 0.794467 0.906396 0.583442 0.027 Uiso 1 1 calc R U . . . C27 C 0.7213(2) 1.0221(2) 0.49235(19) 0.0331(8) Uani 1 1 d . . . . . H27A H 0.665536 1.024808 0.455074 0.050 Uiso 1 1 calc R U . . . H27B H 0.786707 1.045390 0.459540 0.050 Uiso 1 1 calc R U . . . H27C H 0.698380 1.068864 0.530031 0.050 Uiso 1 1 calc R U . . . C28 C 0.6776(2) 0.9348(2) 0.71283(16) 0.0173(5) Uani 1 1 d . . . . . H28A H 0.727095 0.978305 0.671992 0.021 Uiso 1 1 calc R U . . . H28B H 0.634057 0.981910 0.744172 0.021 Uiso 1 1 calc R U . . . C29 C 0.4619(2) 0.8939(2) 0.78270(15) 0.0183(6) Uani 1 1 d . . . . . H29A H 0.521833 0.897234 0.815393 0.022 Uiso 1 1 calc R U . . . H29B H 0.415041 0.840956 0.816935 0.022 Uiso 1 1 calc R U . . . C30 C 0.3991(2) 1.0030(2) 0.76266(17) 0.0243(6) Uani 1 1 d . . . . . H30A H 0.445355 1.055492 0.728715 0.036 Uiso 1 1 calc R U . . . H30B H 0.373799 1.023996 0.814449 0.036 Uiso 1 1 calc R U . . . H30C H 0.338260 0.999182 0.732019 0.036 Uiso 1 1 calc R U . . . C31 C 0.52706(19) 0.3561(2) 0.86431(15) 0.0153(5) Uani 1 1 d . . . . . H31A H 0.510794 0.295713 0.842492 0.018 Uiso 1 1 calc R U . . . H31B H 0.523485 0.332920 0.925628 0.018 Uiso 1 1 calc R U . . . C32 C 0.63950(19) 0.38543(19) 0.83176(14) 0.0119(5) Uani 1 1 d . . . . . C33 C 0.70161(19) 0.42672(19) 0.87943(14) 0.0121(5) Uani 1 1 d . . . . . C34 C 0.80206(19) 0.46043(19) 0.84602(14) 0.0110(5) Uani 1 1 d . . . . . C35 C 0.84520(19) 0.44016(19) 0.76922(14) 0.0121(5) Uani 1 1 d . . . . . C36 C 0.78277(19) 0.39748(19) 0.72234(14) 0.0115(5) Uani 1 1 d . . . . . C37 C 0.6789(2) 0.37396(19) 0.75198(14) 0.0120(5) Uani 1 1 d . . . . . C38 C 0.6661(2) 0.4264(2) 0.96952(14) 0.0148(5) Uani 1 1 d . . . . . H38A H 0.587515 0.432124 0.977410 0.018 Uiso 1 1 calc R U . . . H38B H 0.692098 0.487823 0.984487 0.018 Uiso 1 1 calc R U . . . C39 C 0.7111(2) 0.3224(2) 1.02554(15) 0.0182(6) Uani 1 1 d . . . . . H39A H 0.686733 0.261882 1.009399 0.027 Uiso 1 1 calc R U . . . H39B H 0.686379 0.320534 1.083562 0.027 Uiso 1 1 calc R U . . . H39C H 0.788959 0.318714 1.019329 0.027 Uiso 1 1 calc R U . . . C40 C 0.8634(2) 0.52054(19) 0.89136(15) 0.0144(5) Uani 1 1 d . . . . . H40A H 0.844447 0.498578 0.951864 0.017 Uiso 1 1 calc R U . . . H40B H 0.940624 0.503116 0.881087 0.017 Uiso 1 1 calc R U . . . C41 C 0.96182(19) 0.4546(2) 0.74160(15) 0.0153(5) Uani 1 1 d . . . . . H41A H 0.983405 0.516537 0.758751 0.018 Uiso 1 1 calc R U . . . H41B H 0.972682 0.468037 0.680339 0.018 Uiso 1 1 calc R U . . . C42 C 1.0300(2) 0.3543(2) 0.78104(16) 0.0200(6) Uani 1 1 d . . . . . H42A H 1.020049 0.342155 0.841659 0.030 Uiso 1 1 calc R U . . . H42B H 1.104998 0.363474 0.762795 0.030 Uiso 1 1 calc R U . . . H42C H 1.008380 0.293278 0.763858 0.030 Uiso 1 1 calc R U . . . C43 C 0.8267(2) 0.3813(2) 0.63708(14) 0.0148(5) Uani 1 1 d . . . . . H43A H 0.904437 0.363730 0.637039 0.018 Uiso 1 1 calc R U . . . H43B H 0.794468 0.320731 0.625674 0.018 Uiso 1 1 calc R U . . . C44 C 0.6075(2) 0.3397(2) 0.69718(15) 0.0153(5) Uani 1 1 d . . . . . H44A H 0.626930 0.374106 0.638449 0.018 Uiso 1 1 calc R U . . . H44B H 0.532963 0.364546 0.710938 0.018 Uiso 1 1 calc R U . . . C45 C 0.6153(2) 0.2196(2) 0.70710(17) 0.0213(6) Uani 1 1 d . . . . . H45A H 0.688592 0.194687 0.692210 0.032 Uiso 1 1 calc R U . . . H45B H 0.567659 0.201936 0.670561 0.032 Uiso 1 1 calc R U . . . H45C H 0.594794 0.185090 0.764888 0.032 Uiso 1 1 calc R U . . . C1S C 0.1030(2) 0.0831(2) 0.71014(18) 0.0283(7) Uani 1 1 d . . . . . H1S H 0.141029 0.110894 0.745252 0.034 Uiso 1 1 calc R U . . . C2S C 0.0715(2) 0.1473(2) 0.63614(19) 0.0285(7) Uani 1 1 d . . . . . H2S H 0.088145 0.219212 0.620432 0.034 Uiso 1 1 calc R U . . . C3S C 0.0160(2) 0.1071(2) 0.58493(18) 0.0261(6) Uani 1 1 d . . . . . H3S H -0.005528 0.151136 0.534008 0.031 Uiso 1 1 calc R U . . . C4S C -0.0082(2) 0.0020(2) 0.60845(18) 0.0259(6) Uani 1 1 d . . . . . H4S H -0.046529 -0.025929 0.573596 0.031 Uiso 1 1 calc R U . . . C5S C 0.0234(2) -0.0620(2) 0.68237(18) 0.0257(6) Uani 1 1 d . . . . . H5S H 0.006742 -0.133928 0.698251 0.031 Uiso 1 1 calc R U . . . C6S C 0.0790(2) -0.0217(2) 0.73306(18) 0.0275(7) Uani 1 1 d . . . . . H6S H 0.100857 -0.065924 0.783797 0.033 Uiso 1 1 calc R U . . . C7S C 0.8987(3) 0.0184(3) 1.0339(2) 0.0469(10) Uani 1 1 d . . . . . H7S H 0.828579 0.030777 1.057654 0.056 Uiso 1 1 calc R U . . . C8S C 0.9434(3) 0.0966(3) 0.9721(2) 0.0436(9) Uani 1 1 d . . . . . H8S H 0.904373 0.162869 0.953073 0.052 Uiso 1 1 calc R U . . . C9S C 1.0440(3) 0.0775(3) 0.9389(2) 0.0443(9) Uani 1 1 d . . . . . H9S H 1.075052 0.130912 0.896493 0.053 Uiso 1 1 calc R U . . . C10S C 0.4903(2) 0.9007(2) -0.01283(16) 0.0245(6) Uani 1 1 d . . . . . H10S H 0.483771 0.832481 -0.021836 0.029 Uiso 1 1 calc R U . . . C12S C 0.4130(2) 1.0552(2) 0.03108(17) 0.0267(7) Uani 1 1 d . . . . . H12S H 0.353094 1.093341 0.052356 0.032 Uiso 1 1 calc R U . . . C11S C 0.4035(2) 0.9558(2) 0.01838(17) 0.0271(7) Uani 1 1 d . . . . . H11S H 0.337139 0.925376 0.031143 0.032 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Fe1 0.01026(18) 0.0137(2) 0.02152(19) -0.00265(15) -0.00270(14) -0.00266(15) Fe2 0.01392(19) 0.01035(19) 0.01549(17) -0.00301(14) -0.00650(14) -0.00076(15) Fe3 0.0229(2) 0.0167(2) 0.01224(17) -0.00514(15) -0.00446(15) 0.00373(16) Cl1 0.0147(3) 0.0145(3) 0.0143(3) -0.0044(2) -0.0008(2) -0.0002(2) Cl2 0.0153(3) 0.0167(3) 0.0176(3) -0.0028(2) -0.0014(2) 0.0009(3) Cl3 0.0128(3) 0.0142(3) 0.0134(3) -0.0035(2) -0.0019(2) -0.0001(2) N1 0.0137(11) 0.0103(11) 0.0142(10) -0.0018(8) -0.0009(8) -0.0013(9) N2 0.0112(10) 0.0111(11) 0.0158(10) -0.0013(8) -0.0005(8) -0.0004(9) N3 0.0108(10) 0.0117(11) 0.0140(10) -0.0023(8) -0.0029(8) -0.0001(8) N4 0.0116(10) 0.0089(11) 0.0139(10) -0.0038(8) -0.0020(8) 0.0000(8) N5 0.0187(12) 0.0172(12) 0.0117(10) -0.0019(8) -0.0009(8) 0.0036(9) N6 0.0149(11) 0.0152(12) 0.0117(9) -0.0041(8) -0.0007(8) 0.0012(9) C1 0.0121(12) 0.0152(14) 0.0134(11) -0.0072(10) -0.0005(9) -0.0003(10) C2 0.0106(12) 0.0185(14) 0.0169(12) -0.0045(10) 0.0006(9) -0.0045(11) C3 0.0130(12) 0.0136(13) 0.0146(11) -0.0050(10) 0.0000(9) -0.0028(10) C4 0.0118(13) 0.0178(15) 0.0233(13) -0.0033(11) -0.0005(10) -0.0016(11) C5 0.0135(13) 0.0169(15) 0.0234(13) 0.0009(11) -0.0018(10) -0.0046(11) C6 0.0114(12) 0.0136(14) 0.0174(12) -0.0065(10) -0.0002(9) -0.0031(10) C7 0.0158(13) 0.0141(14) 0.0162(12) -0.0067(10) -0.0053(10) -0.0029(11) C8 0.0102(12) 0.0166(14) 0.0125(11) -0.0051(10) -0.0017(9) -0.0003(10) C9 0.0196(14) 0.0119(14) 0.0231(13) -0.0050(10) -0.0064(11) 0.0003(11) C10 0.0214(14) 0.0149(14) 0.0192(12) -0.0040(10) -0.0117(11) -0.0001(11) C11 0.0124(12) 0.0199(14) 0.0119(11) -0.0024(10) -0.0015(9) -0.0035(11) C12 0.0214(14) 0.0195(15) 0.0082(11) -0.0038(10) 0.0015(9) -0.0024(11) C13 0.0139(13) 0.0186(15) 0.0158(12) -0.0060(10) 0.0022(10) -0.0010(11) C14 0.0209(14) 0.0271(16) 0.0142(12) -0.0065(11) -0.0044(10) -0.0002(12) C15 0.0305(16) 0.0240(16) 0.0161(13) -0.0065(11) 0.0015(11) 0.0075(13) C16 0.0131(13) 0.0135(14) 0.0265(14) -0.0001(11) -0.0002(11) -0.0002(11) C17 0.0102(12) 0.0084(13) 0.0183(12) 0.0010(9) -0.0031(9) 0.0013(10) C18 0.0138(13) 0.0112(13) 0.0198(12) -0.0039(10) -0.0085(10) 0.0046(10) C19 0.0185(14) 0.0136(14) 0.0120(11) 0.0001(10) -0.0040(10) 0.0054(11) C20 0.0102(12) 0.0117(13) 0.0169(12) 0.0029(9) -0.0024(9) 0.0015(10) C21 0.0122(12) 0.0068(12) 0.0183(12) -0.0006(9) -0.0068(9) 0.0034(10) C22 0.0152(13) 0.0075(12) 0.0132(11) -0.0004(9) -0.0027(9) 0.0018(10) C23 0.0252(16) 0.0231(16) 0.0302(15) -0.0133(12) -0.0072(12) -0.0012(13) C24 0.0221(15) 0.0218(16) 0.0306(15) -0.0109(12) -0.0122(12) 0.0021(12) C25 0.0286(16) 0.0232(16) 0.0127(12) -0.0037(11) -0.0042(11) 0.0093(13) C26 0.0148(14) 0.0182(15) 0.0273(14) 0.0039(11) 0.0028(11) 0.0008(11) C27 0.0224(16) 0.0251(18) 0.0382(17) 0.0133(13) 0.0076(13) 0.0021(13) C28 0.0174(14) 0.0125(14) 0.0221(13) -0.0017(10) -0.0076(10) -0.0007(11) C29 0.0212(14) 0.0145(14) 0.0184(12) -0.0045(10) -0.0005(10) 0.0033(11) C30 0.0264(16) 0.0191(16) 0.0271(14) -0.0081(12) 0.0003(12) 0.0038(12) C31 0.0117(13) 0.0129(14) 0.0198(12) 0.0000(10) -0.0033(10) -0.0013(10) C32 0.0124(12) 0.0068(12) 0.0151(11) -0.0003(9) -0.0019(9) 0.0005(10) C33 0.0139(12) 0.0086(13) 0.0123(11) -0.0008(9) -0.0009(9) 0.0022(10) C34 0.0116(12) 0.0064(12) 0.0146(11) -0.0019(9) -0.0031(9) 0.0019(10) C35 0.0131(12) 0.0093(13) 0.0123(11) 0.0010(9) -0.0033(9) 0.0008(10) C36 0.0134(12) 0.0085(12) 0.0120(11) -0.0022(9) -0.0026(9) 0.0034(10) C37 0.0159(13) 0.0060(12) 0.0144(11) -0.0019(9) -0.0052(9) 0.0011(10) C38 0.0145(13) 0.0170(14) 0.0129(11) -0.0050(10) 0.0009(9) -0.0001(11) C39 0.0204(14) 0.0193(15) 0.0131(11) -0.0009(10) -0.0013(10) -0.0001(11) C40 0.0160(13) 0.0130(13) 0.0153(12) -0.0039(10) -0.0063(10) 0.0007(10) C41 0.0120(13) 0.0153(14) 0.0165(12) 0.0001(10) -0.0010(9) -0.0011(10) C42 0.0148(13) 0.0213(15) 0.0210(13) -0.0015(11) -0.0012(10) 0.0036(11) C43 0.0189(14) 0.0122(13) 0.0124(11) -0.0032(10) -0.0014(10) 0.0036(11) C44 0.0180(13) 0.0116(13) 0.0180(12) -0.0043(10) -0.0089(10) 0.0003(11) C45 0.0248(15) 0.0147(15) 0.0275(14) -0.0076(11) -0.0108(12) -0.0003(12) C1S 0.0207(16) 0.0339(19) 0.0338(16) -0.0161(14) 0.0020(13) -0.0026(14) C2S 0.0260(16) 0.0203(17) 0.0385(17) -0.0092(13) 0.0073(13) -0.0027(13) C3S 0.0241(16) 0.0234(17) 0.0270(15) -0.0030(12) 0.0030(12) 0.0042(13) C4S 0.0183(15) 0.0305(18) 0.0308(15) -0.0120(13) 0.0008(12) -0.0018(13) C5S 0.0230(16) 0.0207(16) 0.0326(16) -0.0070(12) 0.0050(12) -0.0032(13) C6S 0.0242(16) 0.0297(18) 0.0273(15) -0.0059(13) -0.0011(12) 0.0003(13) C7S 0.046(2) 0.060(3) 0.045(2) -0.030(2) -0.0127(18) 0.000(2) C8S 0.061(3) 0.036(2) 0.041(2) -0.0187(17) -0.0222(19) 0.0007(19) C9S 0.061(3) 0.041(2) 0.0345(19) -0.0099(16) -0.0149(18) -0.010(2) C10S 0.0428(19) 0.0162(15) 0.0150(12) -0.0055(11) 0.0028(12) -0.0060(13) C12S 0.0292(17) 0.0202(16) 0.0252(14) -0.0025(12) 0.0055(12) 0.0084(13) C11S 0.0249(16) 0.0290(18) 0.0265(15) -0.0036(13) 0.0004(12) -0.0075(14) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Fe1 N2 1.988(2) . ? Fe1 N1 1.993(2) . ? Fe1 Cl1 2.3052(7) . ? Fe1 Cl3 2.3771(7) . ? Fe2 N3 1.993(2) . ? Fe2 N4 1.993(2) . ? Fe2 Cl3 2.3664(7) . ? Fe2 Cl1 2.6280(7) . ? Fe2 Cl2 2.6623(7) . ? Fe3 N6 1.983(2) . ? Fe3 N5 1.994(2) . ? Fe3 Cl2 2.2892(7) . ? Fe3 Cl3 2.3768(7) . ? N1 C1 1.332(3) . ? N1 C16 1.488(3) . ? N2 C3 1.335(3) . ? N2 C31 1.486(3) . ? N3 C6 1.330(3) . ? N3 C28 1.492(3) . ? N4 C8 1.337(3) . ? N4 C40 1.482(3) . ? N5 C11 1.336(3) . ? N5 C25 1.491(3) . ? N6 C13 1.340(3) . ? N6 C43 1.489(3) . ? C1 C2 1.409(3) . ? C1 C4 1.514(3) . ? C2 C3 1.405(3) . ? C3 C5 1.513(3) . ? C6 C7 1.414(3) . ? C6 C9 1.518(3) . ? C7 C8 1.402(3) . ? C8 C10 1.518(3) . ? C11 C12 1.405(4) . ? C11 C14 1.513(3) . ? C12 C13 1.408(3) . ? C13 C15 1.512(4) . ? C16 C17 1.522(3) . ? C17 C18 1.404(3) . ? C17 C22 1.412(3) . ? C18 C19 1.403(4) . ? C18 C24 1.523(3) . ? C19 C20 1.405(3) . ? C19 C25 1.525(3) . ? C20 C21 1.409(3) . ? C20 C26 1.516(3) . ? C21 C22 1.398(3) . ? C21 C28 1.527(3) . ? C22 C29 1.522(3) . ? C23 C24 1.530(4) . ? C26 C27 1.531(4) . ? C29 C30 1.536(4) . ? C31 C32 1.527(3) . ? C32 C33 1.401(3) . ? C32 C37 1.408(3) . ? C33 C34 1.408(3) . ? C33 C38 1.520(3) . ? C34 C35 1.412(3) . ? C34 C40 1.523(3) . ? C35 C36 1.404(3) . ? C35 C41 1.522(3) . ? C36 C37 1.397(3) . ? C36 C43 1.526(3) . ? C37 C44 1.517(3) . ? C38 C39 1.540(4) . ? C41 C42 1.535(3) . ? C44 C45 1.528(3) . ? C1S C2S 1.383(4) . ? C1S C6S 1.384(4) . ? C2S C3S 1.383(4) . ? C3S C4S 1.388(4) . ? C4S C5S 1.381(4) . ? C5S C6S 1.377(4) . ? C7S C9S 1.379(5) 2_757 ? C7S C8S 1.384(5) . ? C8S C9S 1.361(5) . ? C10S C11S 1.377(4) . ? C10S C12S 1.384(4) 2_675 ? C12S C11S 1.381(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 N2 Fe1 N1 96.97(8) . . ? N2 Fe1 Cl1 121.02(6) . . ? N1 Fe1 Cl1 122.71(6) . . ? N2 Fe1 Cl3 112.50(6) . . ? N1 Fe1 Cl3 113.73(6) . . ? Cl1 Fe1 Cl3 90.86(2) . . ? N3 Fe2 N4 99.83(8) . . ? N3 Fe2 Cl3 128.65(6) . . ? N4 Fe2 Cl3 131.51(6) . . ? N3 Fe2 Cl1 96.24(6) . . ? N4 Fe2 Cl1 92.86(6) . . ? Cl3 Fe2 Cl1 83.64(2) . . ? N3 Fe2 Cl2 92.71(6) . . ? N4 Fe2 Cl2 93.87(6) . . ? Cl3 Fe2 Cl2 84.21(2) . . ? Cl1 Fe2 Cl2 167.73(2) . . ? N6 Fe3 N5 97.89(8) . . ? N6 Fe3 Cl2 119.63(6) . . ? N5 Fe3 Cl2 125.82(7) . . ? N6 Fe3 Cl3 110.78(6) . . ? N5 Fe3 Cl3 109.74(6) . . ? Cl2 Fe3 Cl3 92.78(2) . . ? Fe1 Cl1 Fe2 90.25(2) . . ? Fe3 Cl2 Fe2 88.80(2) . . ? Fe2 Cl3 Fe3 94.20(2) . . ? Fe2 Cl3 Fe1 95.22(2) . . ? Fe3 Cl3 Fe1 170.58(3) . . ? C1 N1 C16 117.8(2) . . ? C1 N1 Fe1 119.78(17) . . ? C16 N1 Fe1 121.32(16) . . ? C3 N2 C31 117.8(2) . . ? C3 N2 Fe1 120.06(17) . . ? C31 N2 Fe1 121.53(15) . . ? C6 N3 C28 117.6(2) . . ? C6 N3 Fe2 120.03(17) . . ? C28 N3 Fe2 122.29(15) . . ? C8 N4 C40 118.50(19) . . ? C8 N4 Fe2 119.31(16) . . ? C40 N4 Fe2 122.12(14) . . ? C11 N5 C25 117.3(2) . . ? C11 N5 Fe3 118.31(17) . . ? C25 N5 Fe3 124.30(16) . . ? C13 N6 C43 117.4(2) . . ? C13 N6 Fe3 117.74(17) . . ? C43 N6 Fe3 124.36(15) . . ? N1 C1 C2 123.8(2) . . ? N1 C1 C4 119.7(2) . . ? C2 C1 C4 116.4(2) . . ? C3 C2 C1 130.6(2) . . ? N2 C3 C2 123.8(2) . . ? N2 C3 C5 119.8(2) . . ? C2 C3 C5 116.5(2) . . ? N3 C6 C7 124.2(2) . . ? N3 C6 C9 119.8(2) . . ? C7 C6 C9 116.0(2) . . ? C8 C7 C6 131.6(2) . . ? N4 C8 C7 124.9(2) . . ? N4 C8 C10 118.7(2) . . ? C7 C8 C10 116.3(2) . . ? N5 C11 C12 124.0(2) . . ? N5 C11 C14 120.0(2) . . ? C12 C11 C14 115.9(2) . . ? C11 C12 C13 130.4(2) . . ? N6 C13 C12 123.8(2) . . ? N6 C13 C15 119.5(2) . . ? C12 C13 C15 116.7(2) . . ? N1 C16 C17 110.5(2) . . ? C18 C17 C22 120.2(2) . . ? C18 C17 C16 120.5(2) . . ? C22 C17 C16 119.3(2) . . ? C19 C18 C17 119.4(2) . . ? C19 C18 C24 120.4(2) . . ? C17 C18 C24 120.1(2) . . ? C18 C19 C20 120.7(2) . . ? C18 C19 C25 120.6(2) . . ? C20 C19 C25 118.7(2) . . ? C19 C20 C21 119.5(2) . . ? C19 C20 C26 120.0(2) . . ? C21 C20 C26 120.5(2) . . ? C22 C21 C20 120.1(2) . . ? C22 C21 C28 119.8(2) . . ? C20 C21 C28 120.1(2) . . ? C21 C22 C17 119.9(2) . . ? C21 C22 C29 119.5(2) . . ? C17 C22 C29 120.6(2) . . ? C18 C24 C23 114.9(2) . . ? N5 C25 C19 112.3(2) . . ? C20 C26 C27 111.2(2) . . ? N3 C28 C21 111.0(2) . . ? C22 C29 C30 111.4(2) . . ? N2 C31 C32 112.4(2) . . ? C33 C32 C37 120.2(2) . . ? C33 C32 C31 120.5(2) . . ? C37 C32 C31 119.3(2) . . ? C32 C33 C34 119.7(2) . . ? C32 C33 C38 120.6(2) . . ? C34 C33 C38 119.4(2) . . ? C33 C34 C35 119.7(2) . . ? C33 C34 C40 120.4(2) . . ? C35 C34 C40 119.9(2) . . ? C36 C35 C34 119.7(2) . . ? C36 C35 C41 120.2(2) . . ? C34 C35 C41 119.9(2) . . ? C37 C36 C35 120.2(2) . . ? C37 C36 C43 119.8(2) . . ? C35 C36 C43 119.9(2) . . ? C36 C37 C32 119.9(2) . . ? C36 C37 C44 120.1(2) . . ? C32 C37 C44 120.0(2) . . ? C33 C38 C39 109.1(2) . . ? N4 C40 C34 110.31(19) . . ? C35 C41 C42 109.5(2) . . ? N6 C43 C36 111.53(19) . . ? C37 C44 C45 112.9(2) . . ? C2S C1S C6S 120.0(3) . . ? C3S C2S C1S 120.2(3) . . ? C2S C3S C4S 119.5(3) . . ? C5S C4S C3S 120.2(3) . . ? C6S C5S C4S 120.0(3) . . ? C5S C6S C1S 120.0(3) . . ? C9S C7S C8S 119.9(4) 2_757 . ? C9S C8S C7S 119.2(4) . . ? C8S C9S C7S 120.9(4) . 2_757 ? C11S C10S C12S 120.0(3) . 2_675 ? C11S C12S C10S 120.1(3) . 2_675 ? C10S C11S C12S 119.9(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C16 N1 C1 C2 178.1(2) . . . . ? Fe1 N1 C1 C2 -13.5(3) . . . . ? C16 N1 C1 C4 -3.2(3) . . . . ? Fe1 N1 C1 C4 165.18(17) . . . . ? N1 C1 C2 C3 -3.6(4) . . . . ? C4 C1 C2 C3 177.7(2) . . . . ? C31 N2 C3 C2 -176.5(2) . . . . ? Fe1 N2 C3 C2 12.4(3) . . . . ? C31 N2 C3 C5 4.2(3) . . . . ? Fe1 N2 C3 C5 -166.94(17) . . . . ? C1 C2 C3 N2 4.3(4) . . . . ? C1 C2 C3 C5 -176.4(2) . . . . ? C28 N3 C6 C7 -179.8(2) . . . . ? Fe2 N3 C6 C7 -2.3(3) . . . . ? C28 N3 C6 C9 0.9(3) . . . . ? Fe2 N3 C6 C9 178.38(17) . . . . ? N3 C6 C7 C8 2.3(4) . . . . ? C9 C6 C7 C8 -178.3(3) . . . . ? C40 N4 C8 C7 179.8(2) . . . . ? Fe2 N4 C8 C7 -3.1(3) . . . . ? C40 N4 C8 C10 0.1(3) . . . . ? Fe2 N4 C8 C10 177.13(17) . . . . ? C6 C7 C8 N4 0.9(4) . . . . ? C6 C7 C8 C10 -179.3(3) . . . . ? C25 N5 C11 C12 -175.1(2) . . . . ? Fe3 N5 C11 C12 7.5(3) . . . . ? C25 N5 C11 C14 4.0(4) . . . . ? Fe3 N5 C11 C14 -173.42(18) . . . . ? N5 C11 C12 C13 13.9(4) . . . . ? C14 C11 C12 C13 -165.3(3) . . . . ? C43 N6 C13 C12 170.7(2) . . . . ? Fe3 N6 C13 C12 -17.0(3) . . . . ? C43 N6 C13 C15 -7.8(3) . . . . ? Fe3 N6 C13 C15 164.58(19) . . . . ? C11 C12 C13 N6 -8.2(4) . . . . ? C11 C12 C13 C15 170.3(3) . . . . ? C1 N1 C16 C17 -164.8(2) . . . . ? Fe1 N1 C16 C17 27.0(3) . . . . ? N1 C16 C17 C18 83.1(3) . . . . ? N1 C16 C17 C22 -94.6(3) . . . . ? C22 C17 C18 C19 -1.6(4) . . . . ? C16 C17 C18 C19 -179.3(2) . . . . ? C22 C17 C18 C24 176.9(2) . . . . ? C16 C17 C18 C24 -0.8(4) . . . . ? C17 C18 C19 C20 1.1(4) . . . . ? C24 C18 C19 C20 -177.5(2) . . . . ? C17 C18 C19 C25 178.7(2) . . . . ? C24 C18 C19 C25 0.1(4) . . . . ? C18 C19 C20 C21 2.3(4) . . . . ? C25 C19 C20 C21 -175.3(2) . . . . ? C18 C19 C20 C26 -174.1(2) . . . . ? C25 C19 C20 C26 8.2(4) . . . . ? C19 C20 C21 C22 -5.1(4) . . . . ? C26 C20 C21 C22 171.3(2) . . . . ? C19 C20 C21 C28 173.3(2) . . . . ? C26 C20 C21 C28 -10.2(4) . . . . ? C20 C21 C22 C17 4.6(4) . . . . ? C28 C21 C22 C17 -173.9(2) . . . . ? C20 C21 C22 C29 -172.1(2) . . . . ? C28 C21 C22 C29 9.4(3) . . . . ? C18 C17 C22 C21 -1.2(4) . . . . ? C16 C17 C22 C21 176.5(2) . . . . ? C18 C17 C22 C29 175.5(2) . . . . ? C16 C17 C22 C29 -6.8(3) . . . . ? C19 C18 C24 C23 79.7(3) . . . . ? C17 C18 C24 C23 -98.8(3) . . . . ? C11 N5 C25 C19 169.1(2) . . . . ? Fe3 N5 C25 C19 -13.7(3) . . . . ? C18 C19 C25 N5 -97.7(3) . . . . ? C20 C19 C25 N5 79.9(3) . . . . ? C19 C20 C26 C27 91.3(3) . . . . ? C21 C20 C26 C27 -85.1(3) . . . . ? C6 N3 C28 C21 -177.6(2) . . . . ? Fe2 N3 C28 C21 5.0(3) . . . . ? C22 C21 C28 N3 85.2(3) . . . . ? C20 C21 C28 N3 -93.3(3) . . . . ? C21 C22 C29 C30 89.9(3) . . . . ? C17 C22 C29 C30 -86.8(3) . . . . ? C3 N2 C31 C32 170.0(2) . . . . ? Fe1 N2 C31 C32 -19.0(3) . . . . ? N2 C31 C32 C33 90.3(3) . . . . ? N2 C31 C32 C37 -87.6(3) . . . . ? C37 C32 C33 C34 2.4(4) . . . . ? C31 C32 C33 C34 -175.4(2) . . . . ? C37 C32 C33 C38 -172.1(2) . . . . ? C31 C32 C33 C38 10.1(4) . . . . ? C32 C33 C34 C35 -8.0(4) . . . . ? C38 C33 C34 C35 166.5(2) . . . . ? C32 C33 C34 C40 170.8(2) . . . . ? C38 C33 C34 C40 -14.7(3) . . . . ? C33 C34 C35 C36 7.2(4) . . . . ? C40 C34 C35 C36 -171.6(2) . . . . ? C33 C34 C35 C41 -167.0(2) . . . . ? C40 C34 C35 C41 14.3(3) . . . . ? C34 C35 C36 C37 -0.8(4) . . . . ? C41 C35 C36 C37 173.4(2) . . . . ? C34 C35 C36 C43 176.5(2) . . . . ? C41 C35 C36 C43 -9.3(3) . . . . ? C35 C36 C37 C32 -4.8(4) . . . . ? C43 C36 C37 C32 177.8(2) . . . . ? C35 C36 C37 C44 173.1(2) . . . . ? C43 C36 C37 C44 -4.3(3) . . . . ? C33 C32 C37 C36 4.1(4) . . . . ? C31 C32 C37 C36 -178.1(2) . . . . ? C33 C32 C37 C44 -173.8(2) . . . . ? C31 C32 C37 C44 4.0(3) . . . . ? C32 C33 C38 C39 90.3(3) . . . . ? C34 C33 C38 C39 -84.2(3) . . . . ? C8 N4 C40 C34 178.6(2) . . . . ? Fe2 N4 C40 C34 1.7(3) . . . . ? C33 C34 C40 N4 -91.5(3) . . . . ? C35 C34 C40 N4 87.3(3) . . . . ? C36 C35 C41 C42 -90.5(3) . . . . ? C34 C35 C41 C42 83.7(3) . . . . ? C13 N6 C43 C36 -170.3(2) . . . . ? Fe3 N6 C43 C36 17.9(3) . . . . ? C37 C36 C43 N6 88.9(3) . . . . ? C35 C36 C43 N6 -88.4(3) . . . . ? C36 C37 C44 C45 90.3(3) . . . . ? C32 C37 C44 C45 -91.8(3) . . . . ? C6S C1S C2S C3S 0.1(4) . . . . ? C1S C2S C3S C4S 0.1(4) . . . . ? C2S C3S C4S C5S -0.2(4) . . . . ? C3S C4S C5S C6S 0.0(4) . . . . ? C4S C5S C6S C1S 0.2(4) . . . . ? C2S C1S C6S C5S -0.3(4) . . . . ? C9S C7S C8S C9S 0.0(5) 2_757 . . . ? C7S C8S C9S C7S 0.0(5) . . . 2_757 ? C12S C10S C11S C12S 0.3(5) 2_675 . . . ? C10S C12S C11S C10S -0.3(5) 2_675 . . . ? _refine_diff_density_max 1.491 _refine_diff_density_min -0.876 _refine_diff_density_rms 0.096 _shelx_res_file ; TITL BK102a_0m in P-1 bk102a_0m.res created by SHELXL-2016/6 at 17:41:38 on 21-Apr-2018 CELL 0.71073 12.69220 13.03130 16.64700 76.0639 84.1498 84.0536 ZERR 2.00 0.00050 0.00050 0.00060 0.0007 0.0007 0.0007 LATT 1 SFAC C H N CL FE UNIT 114 150 12 6 6 TEMP -173.5 SIZE 0.088 0.13 0.138 omit 0 60 conf acta htab L.S. 14 BOND FMAP 2 PLAN 5 WGHT 0.048000 FVAR 0.13226 FE1 5 0.484739 0.595016 0.803902 11.00000 0.01026 0.01366 = 0.02152 -0.00265 -0.00270 -0.00266 FE2 5 0.733998 0.696920 0.777866 11.00000 0.01392 0.01035 = 0.01549 -0.00301 -0.00650 -0.00076 FE3 5 0.763737 0.621479 0.589823 11.00000 0.02292 0.01670 = 0.01224 -0.00514 -0.00446 0.00373 CL1 4 0.570483 0.669237 0.888915 11.00000 0.01472 0.01455 = 0.01433 -0.00440 -0.00077 -0.00020 CL2 4 0.878328 0.699681 0.649720 11.00000 0.01527 0.01673 = 0.01760 -0.00275 -0.00142 0.00085 CL3 4 0.632541 0.614935 0.703121 11.00000 0.01281 0.01421 = 0.01342 -0.00352 -0.00186 -0.00013 N1 3 0.347134 0.658413 0.758501 11.00000 0.01371 0.01027 = 0.01416 -0.00178 -0.00090 -0.00132 N2 3 0.445771 0.446039 0.839958 11.00000 0.01117 0.01107 = 0.01583 -0.00129 -0.00053 -0.00038 N3 3 0.739637 0.850998 0.771304 11.00000 0.01079 0.01169 = 0.01396 -0.00226 -0.00290 -0.00013 N4 3 0.838129 0.636374 0.862296 11.00000 0.01159 0.00894 = 0.01388 -0.00383 -0.00196 -0.00004 N5 3 0.697932 0.685651 0.483462 11.00000 0.01875 0.01724 = 0.01166 -0.00190 -0.00094 0.00362 N6 3 0.803861 0.477809 0.570366 11.00000 0.01489 0.01524 = 0.01166 -0.00413 -0.00066 0.00118 C1 1 0.259250 0.608254 0.784421 11.00000 0.01208 0.01524 = 0.01337 -0.00721 -0.00047 -0.00032 C2 1 0.259077 0.501941 0.829796 11.00000 0.01065 0.01851 = 0.01691 -0.00446 0.00062 -0.00453 AFIX 43 H2 2 0.190439 0.477814 0.847044 11.00000 -1.20000 AFIX 0 C3 1 0.343723 0.425773 0.853716 11.00000 0.01302 0.01359 = 0.01459 -0.00501 0.00003 -0.00275 C4 1 0.151667 0.666895 0.766873 11.00000 0.01177 0.01782 = 0.02329 -0.00335 -0.00050 -0.00158 AFIX 137 H4A 2 0.144369 0.731057 0.788553 11.00000 -1.50000 H4B 2 0.095607 0.620949 0.793895 11.00000 -1.50000 H4C 2 0.145374 0.686645 0.706811 11.00000 -1.50000 AFIX 0 C5 1 0.314311 0.315690 0.898261 11.00000 0.01349 0.01695 = 0.02340 0.00086 -0.00179 -0.00458 AFIX 137 H5A 2 0.346679 0.264374 0.866696 11.00000 -1.50000 H5B 2 0.236861 0.314125 0.903142 11.00000 -1.50000 H5C 2 0.340342 0.297270 0.953795 11.00000 -1.50000 AFIX 0 C6 1 0.803369 0.882395 0.817757 11.00000 0.01139 0.01360 = 0.01738 -0.00648 -0.00017 -0.00313 C7 1 0.867306 0.812592 0.875703 11.00000 0.01577 0.01411 = 0.01624 -0.00668 -0.00529 -0.00287 AFIX 43 H7 2 0.906401 0.847124 0.905674 11.00000 -1.20000 AFIX 0 C8 1 0.883366 0.701615 0.896866 11.00000 0.01020 0.01658 = 0.01252 -0.00511 -0.00167 -0.00026 C9 1 0.809549 0.999927 0.810850 11.00000 0.01961 0.01190 = 0.02313 -0.00505 -0.00643 0.00026 AFIX 137 H9A 2 0.835675 1.033829 0.754200 11.00000 -1.50000 H9B 2 0.858246 1.009336 0.850093 11.00000 -1.50000 H9C 2 0.738719 1.032508 0.823797 11.00000 -1.50000 AFIX 0 C10 1 0.958502 0.654042 0.964013 11.00000 0.02140 0.01493 = 0.01918 -0.00397 -0.01169 -0.00008 AFIX 137 H10A 2 0.920832 0.606535 1.010214 11.00000 -1.50000 H10B 2 0.984252 0.711008 0.984022 11.00000 -1.50000 H10C 2 1.018931 0.613869 0.941152 11.00000 -1.50000 AFIX 0 C11 1 0.727353 0.642949 0.418463 11.00000 0.01243 0.01994 = 0.01188 -0.00240 -0.00150 -0.00350 C12 1 0.792793 0.548370 0.422522 11.00000 0.02143 0.01955 = 0.00821 -0.00383 0.00145 -0.00240 AFIX 43 H12 2 0.820507 0.535896 0.370207 11.00000 -1.20000 AFIX 0 C13 1 0.823959 0.469052 0.491600 11.00000 0.01391 0.01862 = 0.01577 -0.00597 0.00216 -0.00105 C14 1 0.688530 0.696071 0.334245 11.00000 0.02085 0.02706 = 0.01417 -0.00650 -0.00444 -0.00022 AFIX 137 H14A 2 0.610849 0.697947 0.337472 11.00000 -1.50000 H14B 2 0.719282 0.656016 0.293454 11.00000 -1.50000 H14C 2 0.710317 0.768651 0.317272 11.00000 -1.50000 AFIX 0 C15 1 0.880931 0.368129 0.473865 11.00000 0.03054 0.02401 = 0.01605 -0.00647 0.00151 0.00755 AFIX 137 H15A 2 0.948548 0.353615 0.499747 11.00000 -1.50000 H15B 2 0.894572 0.376401 0.413727 11.00000 -1.50000 H15C 2 0.836601 0.308958 0.496627 11.00000 -1.50000 AFIX 0 C16 1 0.335237 0.769773 0.708893 11.00000 0.01308 0.01355 = 0.02650 -0.00012 -0.00020 -0.00023 AFIX 23 H16A 2 0.307360 0.817255 0.745847 11.00000 -1.20000 H16B 2 0.283621 0.775588 0.666942 11.00000 -1.20000 AFIX 0 C17 1 0.441676 0.804184 0.665591 11.00000 0.01018 0.00843 = 0.01828 0.00099 -0.00307 0.00129 C18 1 0.478776 0.778653 0.589823 11.00000 0.01380 0.01118 = 0.01981 -0.00386 -0.00851 0.00463 C19 1 0.577636 0.810253 0.551564 11.00000 0.01851 0.01358 = 0.01199 0.00010 -0.00397 0.00536 C20 1 0.640391 0.865424 0.588936 11.00000 0.01018 0.01168 = 0.01690 0.00286 -0.00238 0.00147 C21 1 0.605131 0.885740 0.667086 11.00000 0.01223 0.00682 = 0.01826 -0.00061 -0.00683 0.00337 C22 1 0.504671 0.858763 0.703911 11.00000 0.01517 0.00750 = 0.01315 -0.00038 -0.00267 0.00180 C23 1 0.448130 0.596301 0.566188 11.00000 0.02523 0.02310 = 0.03023 -0.01327 -0.00718 -0.00117 AFIX 137 H23A 2 0.522346 0.586536 0.544644 11.00000 -1.50000 H23B 2 0.403052 0.561932 0.537848 11.00000 -1.50000 H23C 2 0.441377 0.564477 0.625953 11.00000 -1.50000 AFIX 0 C24 1 0.413176 0.714905 0.550761 11.00000 0.02211 0.02180 = 0.03056 -0.01094 -0.01217 0.00208 AFIX 23 H24A 2 0.416582 0.745110 0.490087 11.00000 -1.20000 H24B 2 0.338062 0.723492 0.572566 11.00000 -1.20000 AFIX 0 C25 1 0.621046 0.781586 0.470236 11.00000 0.02861 0.02317 = 0.01271 -0.00373 -0.00423 0.00925 AFIX 23 H25A 2 0.561190 0.768626 0.441199 11.00000 -1.20000 H25B 2 0.656719 0.842224 0.434166 11.00000 -1.20000 AFIX 0 C26 1 0.741901 0.908158 0.542990 11.00000 0.01479 0.01824 = 0.02733 0.00392 0.00285 0.00082 AFIX 23 H26A 2 0.772210 0.862318 0.505386 11.00000 -1.20000 H26B 2 0.794467 0.906396 0.583442 11.00000 -1.20000 AFIX 0 C27 1 0.721275 1.022052 0.492353 11.00000 0.02241 0.02507 = 0.03822 0.01333 0.00759 0.00214 AFIX 137 H27A 2 0.665536 1.024808 0.455074 11.00000 -1.50000 H27B 2 0.786707 1.045390 0.459540 11.00000 -1.50000 H27C 2 0.698380 1.068864 0.530031 11.00000 -1.50000 AFIX 0 C28 1 0.677575 0.934765 0.712830 11.00000 0.01743 0.01251 = 0.02209 -0.00172 -0.00765 -0.00070 AFIX 23 H28A 2 0.727095 0.978305 0.671992 11.00000 -1.20000 H28B 2 0.634057 0.981910 0.744172 11.00000 -1.20000 AFIX 0 C29 1 0.461869 0.893873 0.782704 11.00000 0.02116 0.01451 = 0.01836 -0.00451 -0.00051 0.00325 AFIX 23 H29A 2 0.521833 0.897234 0.815393 11.00000 -1.20000 H29B 2 0.415041 0.840956 0.816935 11.00000 -1.20000 AFIX 0 C30 1 0.399146 1.003010 0.762658 11.00000 0.02642 0.01906 = 0.02711 -0.00812 0.00031 0.00376 AFIX 137 H30A 2 0.445355 1.055492 0.728715 11.00000 -1.50000 H30B 2 0.373799 1.023996 0.814449 11.00000 -1.50000 H30C 2 0.338260 0.999182 0.732019 11.00000 -1.50000 AFIX 0 C31 1 0.527057 0.356088 0.864311 11.00000 0.01173 0.01292 = 0.01982 -0.00001 -0.00332 -0.00134 AFIX 23 H31A 2 0.510794 0.295713 0.842492 11.00000 -1.20000 H31B 2 0.523485 0.332920 0.925628 11.00000 -1.20000 AFIX 0 C32 1 0.639501 0.385431 0.831759 11.00000 0.01240 0.00677 = 0.01514 -0.00034 -0.00186 0.00054 C33 1 0.701608 0.426721 0.879427 11.00000 0.01393 0.00859 = 0.01228 -0.00080 -0.00085 0.00219 C34 1 0.802059 0.460435 0.846022 11.00000 0.01164 0.00638 = 0.01463 -0.00186 -0.00308 0.00185 C35 1 0.845201 0.440157 0.769217 11.00000 0.01309 0.00933 = 0.01229 0.00104 -0.00325 0.00078 C36 1 0.782768 0.397483 0.722338 11.00000 0.01336 0.00854 = 0.01198 -0.00218 -0.00263 0.00344 C37 1 0.678931 0.373962 0.751976 11.00000 0.01593 0.00596 = 0.01441 -0.00187 -0.00522 0.00113 C38 1 0.666094 0.426362 0.969521 11.00000 0.01452 0.01700 = 0.01295 -0.00497 0.00086 -0.00015 AFIX 23 H38A 2 0.587515 0.432124 0.977410 11.00000 -1.20000 H38B 2 0.692098 0.487823 0.984487 11.00000 -1.20000 AFIX 0 C39 1 0.711135 0.322427 1.025544 11.00000 0.02037 0.01930 = 0.01308 -0.00087 -0.00131 -0.00010 AFIX 137 H39A 2 0.686733 0.261882 1.009399 11.00000 -1.50000 H39B 2 0.686379 0.320534 1.083562 11.00000 -1.50000 H39C 2 0.788959 0.318714 1.019329 11.00000 -1.50000 AFIX 0 C40 1 0.863392 0.520537 0.891364 11.00000 0.01599 0.01301 = 0.01531 -0.00390 -0.00628 0.00067 AFIX 23 H40A 2 0.844447 0.498578 0.951864 11.00000 -1.20000 H40B 2 0.940624 0.503116 0.881087 11.00000 -1.20000 AFIX 0 C41 1 0.961822 0.454627 0.741602 11.00000 0.01197 0.01533 = 0.01648 0.00010 -0.00100 -0.00107 AFIX 23 H41A 2 0.983405 0.516537 0.758751 11.00000 -1.20000 H41B 2 0.972682 0.468037 0.680339 11.00000 -1.20000 AFIX 0 C42 1 1.029972 0.354317 0.781043 11.00000 0.01482 0.02125 = 0.02104 -0.00147 -0.00124 0.00362 AFIX 137 H42A 2 1.020049 0.342155 0.841659 11.00000 -1.50000 H42B 2 1.104998 0.363474 0.762795 11.00000 -1.50000 H42C 2 1.008380 0.293278 0.763858 11.00000 -1.50000 AFIX 0 C43 1 0.826653 0.381271 0.637082 11.00000 0.01887 0.01225 = 0.01243 -0.00321 -0.00142 0.00361 AFIX 23 H43A 2 0.904437 0.363730 0.637039 11.00000 -1.20000 H43B 2 0.794468 0.320731 0.625674 11.00000 -1.20000 AFIX 0 C44 1 0.607501 0.339740 0.697180 11.00000 0.01802 0.01165 = 0.01795 -0.00428 -0.00889 0.00034 AFIX 23 H44A 2 0.626930 0.374106 0.638449 11.00000 -1.20000 H44B 2 0.532963 0.364546 0.710938 11.00000 -1.20000 AFIX 0 C45 1 0.615339 0.219589 0.707099 11.00000 0.02479 0.01470 = 0.02748 -0.00755 -0.01075 -0.00035 AFIX 137 H45A 2 0.688592 0.194687 0.692210 11.00000 -1.50000 H45B 2 0.567659 0.201936 0.670561 11.00000 -1.50000 H45C 2 0.594794 0.185090 0.764888 11.00000 -1.50000 AFIX 0 C1S 1 0.102961 0.083076 0.710137 11.00000 0.02069 0.03388 = 0.03383 -0.01609 0.00203 -0.00260 AFIX 43 H1S 2 0.141029 0.110894 0.745252 11.00000 -1.20000 AFIX 0 C2S 1 0.071531 0.147307 0.636136 11.00000 0.02602 0.02033 = 0.03850 -0.00922 0.00730 -0.00271 AFIX 43 H2S 2 0.088145 0.219212 0.620432 11.00000 -1.20000 AFIX 0 C3S 1 0.015970 0.107126 0.584929 11.00000 0.02407 0.02343 = 0.02701 -0.00295 0.00297 0.00416 AFIX 43 H3S 2 -0.005528 0.151136 0.534008 11.00000 -1.20000 AFIX 0 C4S 1 -0.008174 0.002025 0.608452 11.00000 0.01833 0.03051 = 0.03077 -0.01201 0.00080 -0.00179 AFIX 43 H4S 2 -0.046529 -0.025929 0.573596 11.00000 -1.20000 AFIX 0 C5S 1 0.023383 -0.062036 0.682367 11.00000 0.02295 0.02069 = 0.03265 -0.00698 0.00500 -0.00321 AFIX 43 H5S 2 0.006742 -0.133928 0.698251 11.00000 -1.20000 AFIX 0 C6S 1 0.078971 -0.021738 0.733061 11.00000 0.02423 0.02972 = 0.02733 -0.00591 -0.00113 0.00034 AFIX 43 H6S 2 0.100857 -0.065924 0.783797 11.00000 -1.20000 AFIX 0 C7S 1 0.898671 0.018424 1.033942 11.00000 0.04585 0.06010 = 0.04487 -0.02966 -0.01273 -0.00021 AFIX 43 H7S 2 0.828579 0.030777 1.057654 11.00000 -1.20000 AFIX 0 C8S 1 0.943388 0.096627 0.972119 11.00000 0.06115 0.03619 = 0.04114 -0.01869 -0.02216 0.00069 AFIX 43 H8S 2 0.904373 0.162869 0.953073 11.00000 -1.20000 AFIX 0 C9S 1 1.043961 0.077488 0.938921 11.00000 0.06134 0.04124 = 0.03451 -0.00986 -0.01488 -0.01045 AFIX 43 H9S 2 1.075052 0.130912 0.896493 11.00000 -1.20000 AFIX 0 C10S 1 0.490286 0.900739 -0.012830 11.00000 0.04279 0.01620 = 0.01503 -0.00547 0.00282 -0.00596 AFIX 43 H10S 2 0.483771 0.832481 -0.021836 11.00000 -1.20000 AFIX 0 C12S 1 0.412995 1.055175 0.031075 11.00000 0.02924 0.02024 = 0.02517 -0.00245 0.00546 0.00842 AFIX 43 H12S 2 0.353094 1.093341 0.052356 11.00000 -1.20000 AFIX 0 C11S 1 0.403458 0.955760 0.018378 11.00000 0.02493 0.02902 = 0.02646 -0.00362 0.00041 -0.00752 AFIX 43 H11S 2 0.337139 0.925376 0.031143 11.00000 -1.20000 AFIX 0 HKLF 4 REM BK102a_0m in P-1 REM R1 = 0.0570 for 10032 Fo > 4sig(Fo) and 0.1038 for all 15433 data REM 634 parameters refined using 0 restraints END WGHT 0.0480 0.0000 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 1.491, deepest hole -0.876, 1-sigma level 0.096 Q1 1 0.6956 0.6032 0.6043 11.00000 0.05 1.49 Q2 1 0.4875 0.5975 0.7504 11.00000 0.05 0.97 Q3 1 0.8176 0.6811 0.6350 11.00000 0.05 0.53 Q4 1 0.7952 0.9388 0.8113 11.00000 0.05 0.51 Q5 1 0.5429 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1.81 12 3 0 -1.79 2.28 12 3 0 -1.36 1.92 -13 -3 0 0.67 1.59 -13 -3 0 0.97 1.97 13 3 0 -1.06 2.25 13 3 0 2.02 2.49 -14 -3 0 22.86 3.10 -14 -3 0 33.25 3.59 14 3 0 30.76 4.25 14 3 0 30.66 4.71 -15 -3 0 -0.49 1.83 -15 -3 0 0.55 1.95 15 3 0 4.33 2.73 -16 -3 0 1.75 2.29 -16 -3 0 1.75 2.22 16 3 0 5.86 3.29 -17 -3 0 12.06 2.88 17 3 0 4.83 3.65 -18 -3 0 8.88 2.70 18 3 0 4.55 3.38 17 -4 0 2.80 3.69 -17 4 0 -3.16 2.35 16 -4 0 3.03 3.84 -16 4 0 3.54 2.49 15 -4 0 8.63 4.33 -15 4 0 12.03 3.09 14 -4 0 25.23 4.05 14 -4 0 24.42 5.15 -14 4 0 29.39 3.96 13 -4 0 0.82 3.16 13 -4 0 -1.20 2.20 -13 4 0 3.31 2.34 12 -4 0 -2.20 2.15 12 -4 0 2.72 3.00 -12 4 0 0.74 1.60 -12 4 0 -0.11 1.56 -12 4 0 0.39 2.11 11 -4 0 11.26 3.78 11 -4 0 10.17 2.49 -11 4 0 7.76 2.30 -11 4 0 11.94 2.02 -11 4 0 11.29 2.06 10 -4 0 22.41 4.39 10 -4 0 16.89 2.65 -10 4 0 20.82 2.41 -10 4 0 16.95 2.73 -10 4 0 18.07 2.34 -10 4 0 22.73 3.25 9 -4 0 0.21 2.74 9 -4 0 -3.08 1.76 -9 4 0 0.62 1.45 -9 4 0 2.38 1.42 -9 4 0 -1.85 1.71 -9 4 0 0.12 1.13 8 -4 0 9.48 1.62 8 -4 0 7.36 2.04 8 -4 0 11.12 3.03 8 -4 0 11.53 1.72 -8 4 0 11.58 1.61 -8 4 0 12.70 2.22 -8 4 0 11.35 1.88 7 -4 0 91.36 5.79 7 -4 0 94.44 4.35 7 -4 0 97.52 4.02 7 -4 0 89.45 4.00 -7 4 0 91.89 4.12 -7 4 0 86.18 4.45 -7 4 0 91.80 3.90 6 -4 0 87.79 5.34 6 -4 0 89.77 3.93 6 -4 0 86.35 3.76 6 -4 0 91.07 3.75 -6 4 0 89.59 3.76 -6 4 0 93.26 4.25 -6 4 0 90.78 3.90 5 -4 0 59.13 2.79 5 -4 0 59.95 4.08 5 -4 0 58.24 2.74 5 -4 0 59.24 2.81 -5 4 0 56.94 2.83 -5 4 0 56.11 2.86 -5 4 0 58.37 3.14 4 -4 0 33.28 1.88 4 -4 0 33.44 1.93 4 -4 0 33.90 2.00 4 -4 0 38.15 3.03 -4 4 0 32.21 2.10 -4 4 0 33.31 2.17 -4 4 0 35.50 2.31 3 -4 0 1.16 0.68 3 -4 0 1.52 0.75 3 -4 0 2.30 1.46 3 -4 0 1.48 0.76 -3 4 0 0.38 0.84 -3 4 0 1.59 0.95 -3 4 0 3.12 1.09 2 -4 0 18.27 2.35 2 -4 0 13.20 1.26 2 -4 0 15.19 1.30 2 -4 0 13.65 1.04 -2 4 0 15.44 1.73 -2 4 0 12.17 1.42 -2 4 0 12.59 1.23 1 -4 0 458.57 14.72 1 -4 0 475.19 13.74 1 -4 0 460.53 13.84 -1 4 0 468.07 14.27 -1 4 0 466.99 13.89 -1 4 0 479.35 13.53 -1 4 0 476.41 13.84 0 -4 0 477.27 13.91 0 -4 0 465.44 14.53 0 4 0 464.34 14.25 0 4 0 469.48 13.81 0 4 0 467.16 13.75 0 4 0 475.06 13.67 -1 -4 0 18.81 1.86 -1 -4 0 20.28 1.54 -1 -4 0 19.97 1.45 -1 -4 0 20.70 1.34 1 4 0 19.19 1.48 1 4 0 23.28 2.09 1 4 0 19.82 1.48 -2 -4 0 3.41 0.93 -2 -4 0 4.66 1.14 -2 -4 0 2.79 0.77 -2 -4 0 3.91 0.72 2 4 0 3.28 1.11 2 4 0 3.24 0.85 2 4 0 5.85 1.23 -3 -4 0 20.86 1.29 -3 -4 0 19.34 1.63 -3 -4 0 16.66 1.37 -3 -4 0 19.38 1.71 3 4 0 20.67 1.97 3 4 0 15.12 1.33 3 4 0 16.96 1.69 -4 -4 0 95.16 3.83 -4 -4 0 96.05 3.46 4 4 0 94.94 3.87 4 4 0 95.27 4.02 4 4 0 97.09 3.65 4 4 0 93.21 4.10 -5 -4 0 15.92 1.44 -5 -4 0 15.75 1.54 -5 -4 0 16.24 1.67 5 4 0 14.08 1.63 5 4 0 18.85 1.92 5 4 0 14.69 1.50 5 4 0 20.31 2.29 -6 -4 0 41.26 2.64 -6 -4 0 41.95 2.46 -6 -4 0 40.04 2.31 6 4 0 45.56 2.98 6 4 0 42.25 3.07 6 4 0 43.04 2.58 6 4 0 42.89 2.48 -7 -4 0 45.43 2.69 -7 -4 0 45.53 2.87 -7 -4 0 41.93 2.44 7 4 0 44.92 3.40 7 4 0 44.37 2.72 7 4 0 45.38 3.20 7 4 0 41.02 2.68 -8 -4 0 67.05 3.39 -8 -4 0 74.68 3.64 -8 -4 0 70.76 3.79 8 4 0 67.73 4.40 8 4 0 71.56 3.52 8 4 0 68.00 4.27 8 4 0 66.96 3.61 -9 -4 0 1.88 1.35 -9 -4 0 -1.31 1.35 -9 -4 0 0.91 1.39 9 4 0 0.47 1.38 9 4 0 -0.63 1.69 9 4 0 1.11 2.05 9 4 0 1.05 1.42 -10 -4 0 10.31 1.95 -10 -4 0 12.21 2.23 -10 -4 0 11.71 2.09 10 4 0 9.49 1.86 10 4 0 11.21 2.72 10 4 0 3.66 2.46 -11 -4 0 0.11 1.47 -11 -4 0 0.65 1.46 -11 -4 0 1.38 1.77 11 4 0 -2.79 1.88 11 4 0 -0.43 1.90 -12 -4 0 12.43 2.57 -12 -4 0 9.92 2.16 12 4 0 12.94 3.12 12 4 0 10.09 3.00 -13 -4 0 15.12 2.63 -13 -4 0 12.13 2.36 13 4 0 12.49 3.29 13 4 0 14.13 3.53 -14 -4 0 6.40 2.23 -14 -4 0 6.05 2.42 14 4 0 11.21 3.42 -15 -4 0 50.91 4.77 -15 -4 0 51.77 4.65 15 4 0 39.09 5.15 -16 -4 0 -4.32 2.00 -16 -4 0 4.50 2.19 16 4 0 6.19 3.20 -17 -4 0 7.77 2.56 17 4 0 7.80 3.78 16 -5 0 -0.53 3.77 -16 5 0 3.03 2.71 15 -5 0 31.79 6.39 -15 5 0 25.13 3.97 14 -5 0 1.14 3.25 -14 5 0 1.85 2.35 13 -5 0 18.71 5.08 -13 5 0 17.76 3.23 12 -5 0 1.36 3.00 12 -5 0 0.84 2.10 -12 5 0 0.98 2.15 -12 5 0 1.29 2.07 11 -5 0 -0.31 2.55 11 -5 0 -0.97 1.89 -11 5 0 -0.31 2.04 -11 5 0 0.80 1.47 -11 5 0 0.17 1.44 10 -5 0 -2.04 1.65 10 -5 0 -2.39 2.40 -10 5 0 3.48 1.58 -10 5 0 0.01 1.80 -10 5 0 2.16 1.43 9 -5 0 -0.12 1.27 9 -5 0 -1.88 1.68 9 -5 0 -1.96 2.41 -9 5 0 -1.50 1.80 -9 5 0 -2.23 1.05 -9 5 0 1.37 1.55 8 -5 0 2.80 1.79 8 -5 0 1.15 1.28 8 -5 0 -1.87 2.18 -8 5 0 -0.01 1.33 -8 5 0 -1.18 1.05 -8 5 0 -1.56 1.64 7 -5 0 116.97 4.88 7 -5 0 109.39 4.56 7 -5 0 102.30 4.55 7 -5 0 99.45 6.66 -7 5 0 106.85 5.18 -7 5 0 107.25 4.74 -7 5 0 106.47 4.57 6 -5 0 2.83 1.99 6 -5 0 1.36 1.08 6 -5 0 2.04 1.00 6 -5 0 1.89 1.35 -6 5 0 0.62 1.42 -6 5 0 2.72 1.23 -6 5 0 0.54 1.15 5 -5 0 7.43 1.30 5 -5 0 5.58 1.10 5 -5 0 8.28 1.30 5 -5 0 5.88 2.05 -5 5 0 8.81 1.38 -5 5 0 3.38 1.46 -5 5 0 7.73 1.49 4 -5 0 0.31 0.81 4 -5 0 2.24 1.65 4 -5 0 -0.20 0.74 4 -5 0 1.10 0.76 -4 5 0 -0.52 1.02 -4 5 0 0.02 1.08 -4 5 0 -1.41 0.90 3 -5 0 0.99 0.73 3 -5 0 2.10 0.89 3 -5 0 0.68 1.52 3 -5 0 -0.39 0.60 -3 5 0 2.45 1.20 -3 5 0 0.81 0.93 -3 5 0 0.71 1.19 2 -5 0 15.47 1.49 2 -5 0 15.10 1.34 2 -5 0 17.36 2.36 -2 5 0 15.66 1.84 -2 5 0 13.78 1.37 -2 5 0 16.62 1.07 -2 5 0 17.05 1.71 1 -5 0 483.12 14.07 1 -5 0 485.43 15.29 1 -5 0 472.15 14.23 -1 5 0 468.47 14.67 -1 5 0 474.41 13.81 -1 5 0 465.91 14.16 -1 5 0 476.88 14.23 0 -5 0 1.14 1.11 0 -5 0 4.16 0.82 0 -5 0 2.20 0.85 0 5 0 1.23 0.89 0 5 0 1.72 0.75 0 5 0 1.22 0.90 0 5 0 2.11 1.42 -1 -5 0 0.90 0.83 -1 -5 0 0.09 0.62 -1 -5 0 0.26 1.00 -1 -5 0 0.51 0.68 1 5 0 -0.68 1.10 1 5 0 0.01 0.75 1 5 0 0.58 0.75 -2 -5 0 49.36 2.61 -2 -5 0 47.88 2.15 -2 -5 0 49.35 2.85 -2 -5 0 53.09 2.37 2 5 0 50.75 2.58 2 5 0 48.10 2.43 2 5 0 46.64 2.84 -3 -5 0 22.98 1.97 -3 -5 0 23.30 1.43 -3 -5 0 20.39 1.82 -3 -5 0 20.81 1.61 3 5 0 20.71 2.13 3 5 0 19.34 1.56 3 5 0 17.58 1.86 -4 -5 0 1.34 0.98 -4 -5 0 0.06 0.68 -4 -5 0 -0.41 0.74 -4 -5 0 1.46 1.03 4 5 0 0.40 1.30 4 5 0 0.14 1.08 4 5 0 0.43 0.86 -5 -5 0 96.41 3.76 -5 -5 0 90.56 3.51 -5 -5 0 86.89 3.92 5 5 0 87.79 4.27 5 5 0 89.11 3.96 5 5 0 86.33 3.76 -6 -5 0 67.07 3.61 -6 -5 0 70.84 3.09 -6 -5 0 66.97 3.25 6 5 0 70.54 3.32 6 5 0 64.27 4.02 6 5 0 71.85 3.53 6 5 0 64.74 3.62 -7 -5 0 130.51 4.88 -7 -5 0 124.19 5.04 -7 -5 0 127.03 5.36 7 5 0 123.08 5.69 7 5 0 127.18 6.08 7 5 0 125.34 5.19 7 5 0 138.38 5.16 -8 -5 0 42.65 3.30 -8 -5 0 38.14 2.64 -8 -5 0 39.01 2.86 8 5 0 44.22 3.97 8 5 0 38.46 2.89 8 5 0 37.66 3.32 8 5 0 36.84 2.87 -9 -5 0 2.06 1.52 -9 -5 0 0.34 1.32 -9 -5 0 -0.67 1.49 9 5 0 2.93 2.28 9 5 0 1.91 1.79 9 5 0 0.84 1.52 9 5 0 1.96 1.64 -10 -5 0 -1.14 1.53 -10 -5 0 -1.70 1.06 -10 -5 0 -0.20 1.49 10 5 0 0.64 2.49 10 5 0 0.61 1.84 10 5 0 -1.95 1.45 -11 -5 0 5.78 1.90 -11 -5 0 6.25 1.62 -11 -5 0 4.04 1.66 11 5 0 4.11 2.58 11 5 0 6.64 2.41 -12 -5 0 5.56 1.93 -12 -5 0 3.52 2.17 12 5 0 5.28 2.57 12 5 0 7.83 2.75 -13 -5 0 35.23 3.87 -13 -5 0 35.32 3.55 13 5 0 24.71 3.95 -14 -5 0 9.57 2.39 -14 -5 0 9.74 2.47 14 5 0 3.82 2.99 -15 -5 0 12.28 2.54 -15 -5 0 10.63 2.69 15 5 0 9.12 3.74 -16 -5 0 16.42 3.40 -16 -5 0 12.68 2.87 16 5 0 12.07 4.00 -17 -5 0 13.32 3.28 -17 -5 0 15.47 3.32 17 5 0 9.41 3.79 16 -6 0 5.28 4.67 -16 6 0 6.77 3.18 15 -6 0 3.23 3.99 -15 6 0 5.66 3.08 14 -6 0 50.29 7.54 -14 6 0 40.74 4.70 13 -6 0 12.69 4.44 -13 6 0 10.12 2.86 12 -6 0 12.65 4.16 -12 6 0 9.17 2.64 11 -6 0 0.12 3.27 -11 6 0 1.18 2.02 -11 6 0 0.68 1.64 -11 6 0 2.43 1.64 10 -6 0 5.13 3.23 10 -6 0 -3.27 1.64 -10 6 0 1.65 2.28 -10 6 0 2.09 1.76 9 -6 0 3.75 2.72 9 -6 0 -3.74 1.54 9 -6 0 1.52 1.26 -9 6 0 1.77 1.38 -9 6 0 0.57 1.52 -9 6 0 1.14 1.82 8 -6 0 4.81 1.55 8 -6 0 6.30 1.97 8 -6 0 5.00 2.88 -8 6 0 2.84 1.55 -8 6 0 4.82 2.19 -8 6 0 5.79 1.77 7 -6 0 82.72 6.18 7 -6 0 88.78 4.24 7 -6 0 90.11 4.36 -7 6 0 92.58 4.41 -7 6 0 87.41 4.77 -7 6 0 91.35 4.47 6 -6 0 12.63 3.21 6 -6 0 16.03 1.90 6 -6 0 17.46 1.94 6 -6 0 16.61 2.04 -6 6 0 12.66 1.97 -6 6 0 16.01 2.38 -6 6 0 14.25 1.93 5 -6 0 2.37 1.18 5 -6 0 0.10 0.98 5 -6 0 2.13 1.07 5 -6 0 0.80 1.96 -5 6 0 1.07 1.20 -5 6 0 -1.21 1.26 -5 6 0 0.14 1.35 4 -6 0 48.12 2.68 4 -6 0 57.62 2.80 4 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1.14 -4 -6 0 1.16 1.06 -4 -6 0 -0.02 0.73 4 6 0 -1.23 1.12 4 6 0 0.46 1.49 4 6 0 1.09 1.04 -5 -6 0 16.75 1.59 -5 -6 0 13.30 1.85 -5 -6 0 13.87 1.57 -5 -6 0 13.68 1.99 5 6 0 17.83 1.88 5 6 0 19.62 2.47 5 6 0 17.42 2.10 -6 -6 0 288.98 9.92 -6 -6 0 278.96 9.16 -6 -6 0 267.02 9.45 -6 -6 0 267.57 8.88 6 6 0 275.74 9.57 6 6 0 275.19 9.13 6 6 0 276.85 10.06 -7 -6 0 63.73 3.76 -7 -6 0 68.72 3.27 -7 -6 0 72.27 3.63 7 6 0 63.33 3.94 7 6 0 72.17 4.01 7 6 0 70.56 3.71 7 6 0 66.11 4.34 -8 -6 0 12.32 1.78 -8 -6 0 11.82 1.89 -8 -6 0 15.29 2.22 8 6 0 14.08 2.97 8 6 0 18.11 2.23 8 6 0 14.84 2.38 8 6 0 14.14 2.36 -9 -6 0 1.05 1.63 -9 -6 0 1.62 1.34 -9 -6 0 -0.15 1.44 9 6 0 0.64 1.78 9 6 0 1.02 1.75 9 6 0 0.73 1.59 9 6 0 -0.69 2.09 -10 -6 0 10.49 2.30 -10 -6 0 7.27 1.86 -10 -6 0 6.34 1.54 10 6 0 10.18 2.20 10 6 0 9.78 2.62 10 6 0 7.52 2.23 -11 -6 0 16.59 2.35 -11 -6 0 18.68 2.72 11 6 0 20.08 3.25 11 6 0 24.89 3.59 -12 -6 0 6.65 2.14 -12 -6 0 9.36 2.14 12 6 0 4.50 2.60 -13 -6 0 -0.98 1.92 -13 -6 0 -0.24 1.35 13 6 0 4.32 2.82 -14 -6 0 20.90 2.96 -14 -6 0 15.56 2.89 14 6 0 17.17 3.95 -15 -6 0 -2.18 2.24 -15 -6 0 0.70 1.89 15 6 0 5.29 3.31 -16 -6 0 15.95 2.99 -16 -6 0 25.00 3.84 16 6 0 23.69 4.92 -17 -6 0 -1.28 2.32 17 6 0 1.73 3.43 16 -7 0 -0.76 4.30 -16 7 0 1.24 2.57 15 -7 0 9.02 4.67 -15 7 0 10.85 3.25 14 -7 0 15.38 5.35 -14 7 0 14.67 3.42 13 -7 0 5.54 4.08 -13 7 0 6.63 2.69 12 -7 0 1.80 3.74 -12 7 0 -1.33 2.30 11 -7 0 6.90 3.82 -11 7 0 1.60 3.05 -11 7 0 2.32 2.12 10 -7 0 13.13 4.21 10 -7 0 17.52 2.52 -10 7 0 14.17 2.36 -10 7 0 19.42 3.10 9 -7 0 3.40 2.91 9 -7 0 1.19 1.37 -9 7 0 -1.55 1.42 -9 7 0 5.01 1.66 -9 7 0 1.49 1.94 8 -7 0 1.27 1.34 8 -7 0 0.26 2.62 -8 7 0 2.93 1.63 -8 7 0 2.74 2.02 -8 7 0 0.59 1.64 7 -7 0 18.74 4.02 7 -7 0 19.70 2.31 7 -7 0 17.42 2.29 -7 7 0 15.54 2.46 -7 7 0 13.67 2.19 -7 7 0 19.19 2.78 6 -7 0 103.28 4.73 6 -7 0 110.59 4.47 6 -7 0 108.21 7.15 6 -7 0 115.39 6.44 -6 7 0 109.71 5.15 -6 7 0 97.49 5.32 -6 7 0 106.68 5.00 5 -7 0 4.07 1.21 5 -7 0 5.05 1.44 5 -7 0 5.76 1.26 5 -7 0 2.81 2.89 -5 7 0 3.07 1.62 -5 7 0 4.02 1.79 -5 7 0 4.13 1.46 4 -7 0 5.63 2.50 4 -7 0 3.00 0.99 4 -7 0 2.60 1.14 4 -7 0 4.89 1.32 -4 7 0 3.10 1.36 -4 7 0 6.40 1.94 -4 7 0 3.51 1.80 3 -7 0 2.77 0.83 3 -7 0 2.00 1.98 3 -7 0 1.93 1.15 3 -7 0 1.95 1.06 -3 7 0 4.03 1.68 -3 7 0 3.21 1.29 -3 7 0 3.61 1.58 2 -7 0 12.22 2.69 2 -7 0 8.80 1.46 2 -7 0 8.54 1.21 -2 7 0 10.58 1.58 -2 7 0 8.18 1.69 -2 7 0 9.36 2.08 -2 7 0 11.48 1.11 1 -7 0 0.20 0.77 1 -7 0 -0.67 1.25 1 -7 0 0.70 0.92 -1 7 0 0.54 1.06 -1 7 0 -0.75 1.04 -1 7 0 -1.15 1.56 -1 7 0 0.38 0.66 0 -7 0 -0.17 0.76 0 -7 0 0.98 0.94 0 -7 0 0.17 1.18 0 7 0 0.28 0.78 0 7 0 -2.36 0.94 0 7 0 -0.89 1.41 0 7 0 -0.49 0.96 -1 -7 0 1.01 0.90 -1 -7 0 2.66 1.50 -1 -7 0 -0.74 0.91 1 7 0 1.90 0.94 1 7 0 0.55 1.00 1 7 0 2.01 1.79 -2 -7 0 5.60 1.62 -2 -7 0 4.48 1.29 -2 -7 0 6.29 1.15 -2 -7 0 5.27 1.07 2 7 0 4.14 1.25 2 7 0 6.83 1.34 2 7 0 3.93 1.76 -3 -7 0 27.85 1.83 -3 -7 0 27.35 2.58 -3 -7 0 27.33 2.13 -3 -7 0 31.07 2.51 3 7 0 28.36 2.80 3 7 0 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5.44 -5 -8 0 108.28 5.05 -5 -8 0 116.59 4.75 -5 -8 0 112.74 4.42 5 8 0 101.24 5.17 5 8 0 107.69 4.89 5 8 0 102.15 5.46 -6 -8 0 -0.84 1.25 -6 -8 0 -1.17 1.50 -6 -8 0 -0.05 1.02 -6 -8 0 -0.44 1.43 6 8 0 -0.98 1.86 6 8 0 0.82 1.57 6 8 0 1.98 2.25 -7 -8 0 52.16 3.97 -7 -8 0 58.71 3.13 -7 -8 0 63.34 3.66 -7 -8 0 54.19 4.08 7 8 0 52.74 4.45 7 8 0 53.27 3.76 7 8 0 60.39 4.38 -8 -8 0 29.23 2.54 -8 -8 0 24.36 2.98 -8 -8 0 31.00 2.82 -8 -8 0 29.52 3.34 8 8 0 32.85 3.61 8 8 0 27.58 3.62 8 8 0 27.35 2.82 -9 -8 0 8.23 1.74 -9 -8 0 7.44 2.05 9 8 0 9.72 2.96 9 8 0 12.14 2.53 -10 -8 0 1.25 1.31 -10 -8 0 -2.33 1.50 10 8 0 1.77 2.18 10 8 0 4.91 2.44 -11 -8 0 4.04 1.61 -11 -8 0 7.81 2.22 11 8 0 6.19 2.90 -12 -8 0 1.22 1.47 -12 -8 0 2.10 2.18 12 8 0 0.22 2.35 -13 -8 0 30.59 3.93 -13 -8 0 28.19 3.17 13 8 0 26.60 4.27 -14 -8 0 1.50 2.11 14 8 0 3.78 2.88 -15 -8 0 2.39 2.30 15 8 0 6.92 3.52 -16 -8 0 -1.90 2.33 16 8 0 4.47 3.59 14 -9 0 10.21 5.26 -14 9 0 11.94 3.47 13 -9 0 4.20 4.98 -13 9 0 0.60 2.54 12 -9 0 22.21 5.96 -12 9 0 30.77 4.16 11 -9 0 4.31 4.02 -11 9 0 1.71 2.27 10 -9 0 -1.96 3.74 -10 9 0 3.28 2.34 9 -9 0 1.66 3.48 9 -9 0 4.37 1.74 -9 9 0 2.64 1.85 -9 9 0 3.56 2.29 -9 9 0 4.72 2.20 8 -9 0 67.45 7.07 8 -9 0 77.22 4.47 -8 9 0 89.17 4.97 -8 9 0 85.91 5.14 -8 9 0 76.22 4.83 7 -9 0 54.47 6.79 7 -9 0 51.61 3.56 -7 9 0 52.96 4.57 -7 9 0 53.67 4.01 -7 9 0 57.98 3.99 6 -9 0 31.38 5.18 6 -9 0 40.06 3.34 -6 9 0 36.50 3.67 -6 9 0 29.96 3.05 -6 9 0 37.53 3.62 5 -9 0 27.04 2.77 5 -9 0 26.69 4.69 -5 9 0 28.31 2.90 -5 9 0 22.75 2.94 -5 9 0 29.18 3.43 4 -9 0 41.60 3.12 4 -9 0 59.26 6.06 -4 9 0 41.90 3.37 -4 9 0 40.17 4.02 -4 9 0 45.64 3.90 3 -9 0 6.45 3.50 3 -9 0 3.52 1.55 -3 9 0 7.01 2.63 -3 9 0 4.06 1.69 -3 9 0 3.46 1.74 2 -9 0 5.23 1.32 2 -9 0 11.81 3.38 2 -9 0 4.97 1.49 -2 9 0 5.76 2.56 -2 9 0 7.54 1.15 -2 9 0 1.89 1.74 -2 9 0 7.40 1.73 1 -9 0 25.05 2.48 1 -9 0 44.44 4.37 1 -9 0 19.92 2.01 -1 9 0 27.83 3.40 -1 9 0 27.14 2.66 -1 9 0 26.24 1.91 -1 9 0 24.32 2.53 0 -9 0 0.27 1.89 0 -9 0 -0.50 1.28 0 -9 0 -0.10 1.06 0 9 0 1.28 1.47 0 9 0 0.13 1.45 0 9 0 -0.66 0.99 0 9 0 -1.46 1.91 -1 -9 0 16.41 2.16 -1 -9 0 13.49 1.73 -1 -9 0 21.73 3.15 1 9 0 16.66 2.89 1 9 0 16.54 2.11 1 9 0 19.30 2.06 1 9 0 19.06 2.13 -2 -9 0 35.05 2.43 -2 -9 0 36.01 3.74 -2 -9 0 39.53 2.76 -2 -9 0 39.40 3.21 2 9 0 34.06 2.86 2 9 0 36.06 3.92 2 9 0 30.66 2.59 -3 -9 0 0.39 1.17 -3 -9 0 1.84 1.79 -3 -9 0 0.67 1.05 -3 -9 0 1.59 1.51 3 9 0 -1.05 2.10 3 9 0 1.40 1.45 3 9 0 1.20 1.51 -4 -9 0 2.73 1.37 -4 -9 0 1.08 1.51 -4 -9 0 2.90 1.25 -4 -9 0 2.09 1.79 4 9 0 2.85 1.68 4 9 0 3.01 1.81 4 9 0 3.63 2.40 -5 -9 0 0.35 1.67 -5 -9 0 -0.31 1.11 -5 -9 0 1.07 1.83 -5 -9 0 -0.52 1.34 5 9 0 -2.79 1.47 5 9 0 -0.67 2.12 5 9 0 0.34 1.90 -6 -9 0 3.73 2.01 -6 -9 0 5.57 1.39 -6 -9 0 4.37 1.84 -6 -9 0 6.77 1.66 6 9 0 7.67 2.13 6 9 0 4.58 2.27 6 9 0 3.51 2.66 -7 -9 0 -0.80 1.48 -7 -9 0 -0.35 1.65 -7 -9 0 0.91 1.18 -7 -9 0 0.49 1.52 7 9 0 -1.65 1.54 7 9 0 0.65 2.14 7 9 0 0.62 2.27 -8 -9 0 15.54 2.73 -8 -9 0 16.85 2.13 8 9 0 17.71 3.05 8 9 0 20.09 3.12 -9 -9 0 5.69 2.26 -9 -9 0 6.19 1.66 9 9 0 2.58 2.12 9 9 0 4.10 2.34 -10 -9 0 12.69 2.06 -10 -9 0 13.37 2.81 10 9 0 7.12 2.67 10 9 0 11.22 2.87 -11 -9 0 -0.11 1.79 -11 -9 0 1.36 1.53 11 9 0 -1.41 2.36 -12 -9 0 14.45 2.96 12 9 0 9.21 3.26 -13 -9 0 2.47 2.16 13 9 0 2.19 2.52 -14 -9 0 8.11 2.71 14 9 0 5.91 3.41 -15 -9 0 6.25 2.73 15 9 0 3.13 3.06 -16 -9 0 4.41 2.57 16 9 0 4.20 3.46 14 -10 0 4.57 4.69 -14 10 0 4.91 3.43 13 -10 0 4.02 5.11 -13 10 0 3.32 2.79 12 -10 0 14.88 5.82 -12 10 0 9.23 3.48 11 -10 0 -0.95 4.49 -11 10 0 0.21 2.48 10 -10 0 2.23 4.16 -10 10 0 4.82 2.60 9 -10 0 28.25 4.50 9 -10 0 27.63 6.10 -9 10 0 27.74 3.49 -9 10 0 28.68 3.76 8 -10 0 73.21 7.77 8 -10 0 76.62 4.62 -8 10 0 87.45 5.19 -8 10 0 84.66 5.18 -8 10 0 74.39 5.14 7 -10 0 4.41 4.20 7 -10 0 4.64 1.84 -7 10 0 8.76 2.31 -7 10 0 4.04 2.13 -7 10 0 7.96 2.48 6 -10 0 -1.54 3.32 6 -10 0 0.57 1.50 -6 10 0 1.23 1.85 -6 10 0 1.44 1.81 -6 10 0 2.94 1.88 5 -10 0 14.06 4.70 5 -10 0 20.90 2.52 -5 10 0 23.92 3.31 -5 10 0 18.52 2.88 -5 10 0 20.25 2.66 4 -10 0 6.67 1.75 4 -10 0 8.60 4.23 -4 10 0 7.06 2.24 -4 10 0 2.87 2.35 -4 10 0 3.75 1.90 3 -10 0 1.73 1.38 3 -10 0 6.17 3.80 -3 10 0 0.41 1.89 -3 10 0 1.51 2.21 -3 10 0 2.65 1.82 2 -10 0 12.16 3.71 2 -10 0 7.43 1.95 -2 10 0 11.64 2.19 -2 10 0 7.99 2.67 -2 10 0 9.28 2.30 1 -10 0 36.81 3.18 1 -10 0 48.40 5.09 -1 10 0 30.66 2.23 -1 10 0 28.46 3.75 -1 10 0 35.39 3.14 -1 10 0 40.97 3.37 0 -10 0 109.23 6.39 0 -10 0 103.94 5.01 0 10 0 101.83 5.98 0 10 0 96.78 4.98 0 10 0 106.74 4.88 0 10 0 106.51 4.44 -1 -10 0 -0.39 1.18 -1 -10 0 0.44 1.61 -1 -10 0 3.77 2.18 1 10 0 1.22 1.57 1 10 0 -1.29 1.25 1 10 0 -1.74 2.12 1 10 0 0.86 1.69 -2 -10 0 1.29 1.53 -2 -10 0 0.62 1.25 -2 -10 0 2.46 1.92 2 10 0 0.03 1.41 2 10 0 1.09 2.35 2 10 0 1.52 1.50 2 10 0 -1.83 1.63 -3 -10 0 21.51 2.24 -3 -10 0 23.74 2.38 -3 -10 0 22.41 3.31 -3 -10 0 20.49 2.76 3 10 0 26.19 3.67 3 10 0 20.25 2.66 3 10 0 23.70 2.72 -4 -10 0 29.09 3.61 -4 -10 0 33.26 2.62 -4 -10 0 24.40 2.88 4 10 0 32.23 3.26 4 10 0 27.98 3.78 4 10 0 31.59 3.01 -5 -10 0 35.35 3.74 -5 -10 0 31.53 2.51 -5 -10 0 30.39 3.31 5 10 0 33.49 3.97 5 10 0 28.66 2.94 5 10 0 31.52 3.36 -6 -10 0 1.44 1.59 -6 -10 0 3.68 1.30 -6 -10 0 1.81 1.85 6 10 0 5.65 2.24 6 10 0 0.86 1.65 6 10 0 0.58 2.29 -7 -10 0 8.91 2.37 -7 -10 0 10.53 1.68 7 10 0 6.95 2.75 7 10 0 7.62 2.44 -8 -10 0 23.18 3.09 -8 -10 0 29.66 2.68 8 10 0 25.57 3.64 8 10 0 32.82 4.03 -9 -10 0 10.59 2.46 9 10 0 13.49 3.12 9 10 0 13.31 3.13 -10 -10 0 2.93 2.23 10 10 0 4.33 2.67 10 10 0 0.30 2.52 -11 -10 0 1.03 2.03 11 10 0 6.06 2.87 -12 -10 0 24.09 3.52 12 10 0 21.90 3.92 -13 -10 0 1.12 2.46 13 10 0 6.98 2.99 -14 -10 0 -0.43 2.44 14 10 0 5.55 3.35 -15 -10 0 11.34 3.35 15 10 0 7.38 3.76 13 -11 0 -4.81 4.05 -13 11 0 5.55 3.19 12 -11 0 6.04 5.79 -12 11 0 1.53 3.23 11 -11 0 2.21 4.74 -11 11 0 2.34 2.75 10 -11 0 -0.89 4.89 -10 11 0 -0.17 2.30 9 -11 0 49.72 8.12 -9 11 0 43.94 4.58 -9 11 0 57.84 4.73 8 -11 0 1.38 1.80 8 -11 0 -6.88 4.77 -8 11 0 -1.98 1.74 -8 11 0 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6.94 7 -12 0 22.83 3.11 -7 12 0 31.99 4.07 -7 12 0 26.49 3.78 6 -12 0 29.73 3.27 6 -12 0 20.18 6.94 -6 12 0 33.64 3.93 -6 12 0 33.81 4.26 5 -12 0 1.65 1.74 -5 12 0 1.85 3.35 -5 12 0 5.69 2.43 -5 12 0 2.71 2.33 4 -12 0 -18.70 5.93 4 -12 0 8.79 2.16 -4 12 0 8.94 2.72 -4 12 0 8.32 2.36 -4 12 0 9.47 2.66 3 -12 0 -0.37 1.39 3 -12 0 17.41 7.20 -3 12 0 1.57 1.86 -3 12 0 -2.23 2.22 -3 12 0 -1.55 1.95 2 -12 0 45.06 4.01 2 -12 0 70.70 8.43 -2 12 0 45.68 4.04 -2 12 0 57.27 5.35 -2 12 0 52.75 4.00 1 -12 0 42.45 6.35 1 -12 0 32.82 3.28 -1 12 0 45.62 3.75 -1 12 0 38.91 4.38 -1 12 0 38.89 3.51 0 -12 0 47.82 6.38 0 -12 0 19.30 2.82 0 12 0 20.05 2.71 0 12 0 28.30 3.04 0 12 0 24.84 3.75 -1 -12 0 12.58 4.02 -1 -12 0 4.35 2.00 1 12 0 2.03 2.37 1 12 0 0.44 1.57 1 12 0 5.23 2.01 -2 -12 0 23.34 2.88 2 12 0 25.10 2.72 2 12 0 22.43 3.64 2 12 0 17.34 2.59 -3 -12 0 12.14 2.86 -3 -12 0 -0.45 1.80 3 12 0 -0.32 2.60 3 12 0 0.25 1.55 3 12 0 -0.47 1.57 3 12 0 -0.10 1.67 -4 -12 0 40.96 4.31 -4 -12 0 24.90 3.14 4 12 0 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