#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/16/1501615.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_1501615 loop_ _publ_author_name 'Fedor Valach' 'Miroslav Tokar\3.00\s(I) _cod_data_source_file deposit.cif _cod_data_source_block CRYSTALS_cif _cod_original_cell_volume 1961.2 _cod_original_sg_symbol_H-M 'P 1 21/n 1 ' _cod_original_formula_sum ' C21 H13 Cu1 O6 F3 ' _cod_database_code 1501615 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z -x+1/2,y+1/2,-z+1/2 x+1/2,-y+1/2,z+1/2 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 Cu1 0.0335(2) 0.03139(19) 0.0369(2) -0.00485(12) 0.00474(12) 0.00202(11) O1 0.0399(8) 0.0353(9) 0.053(1) -0.0056(7) 0.0120(7) -0.0038(7) O2 0.0364(8) 0.0371(9) 0.0697(11) -0.0103(8) 0.0132(8) -0.0043(7) C3 0.034(1) 0.0378(11) 0.035(1) -0.0030(8) 0.0008(8) 0.0001(9) C4 0.034(1) 0.0401(11) 0.0398(11) -0.0007(9) 0.0032(8) -0.0027(8) C5 0.0458(13) 0.0445(14) 0.0708(17) 0.0044(12) 0.0150(12) -0.0055(11) C6 0.0636(19) 0.0556(18) 0.124(3) 0.0103(19) 0.036(2) -0.0136(16) C7 0.0532(17) 0.074(2) 0.116(3) 0.010(2) 0.0374(19) -0.0126(16) C8 0.0403(14) 0.0687(19) 0.0772(19) -0.0064(15) 0.0181(13) 0.0007(13) C9 0.0376(12) 0.0484(13) 0.0475(12) -0.004(1) 0.0040(9) -0.001(1) F10 0.0449(8) 0.0435(8) 0.0840(12) -0.0041(7) 0.0095(8) 0.0042(6) O11 0.056(1) 0.0528(11) 0.0377(8) -0.0036(7) 0.0006(7) 0.0089(8) O12 0.0631(11) 0.050(1) 0.0420(9) -0.0047(8) -0.0050(8) 0.0105(9) C13 0.033(1) 0.0503(13) 0.0394(11) 0.001(1) 0.0062(8) 0.002(1) C14 0.033(1) 0.0553(14) 0.0403(11) -0.000(1) 0.0026(8) 0.002(1) C15 0.0653(17) 0.0592(16) 0.0503(15) -0.0058(13) -0.0069(12) 0.0090(14) C16 0.102(3) 0.074(2) 0.0556(18) -0.0144(17) -0.0226(17) 0.008(2) C17 0.103(3) 0.092(3) 0.0501(17) 0.0036(17) -0.0248(18) -0.006(2) C18 0.109(3) 0.070(2) 0.0549(17) 0.0145(16) -0.0128(17) -0.004(2) C19 0.0717(18) 0.0543(16) 0.0482(14) 0.0031(13) -0.0042(13) -0.0102(14) F20 0.176(3) 0.0560(11) 0.0715(13) 0.004(1) -0.0264(15) -0.0223(14) O21 0.050(1) 0.0346(8) 0.0696(12) -0.0118(8) 0.0178(8) -0.0022(7) O22 0.0669(14) 0.041(1) 0.144(2) -0.0310(13) 0.0503(15) -0.013(1) C23 0.0462(12) 0.0314(11) 0.0455(11) 0.0002(9) 0.0093(9) -0.0007(9) C24 0.0508(13) 0.0310(11) 0.0408(11) -0.0007(9) 0.0036(9) 0.0008(9) C25 0.0605(16) 0.0412(13) 0.0537(14) -0.0063(11) 0.0112(12) -0.0069(11) C26 0.084(2) 0.0437(15) 0.0611(17) -0.0043(13) 0.0035(15) -0.0153(14) C27 0.095(2) 0.0350(13) 0.0569(16) -0.0100(12) -0.0091(15) 0.0079(14) C28 0.077(2) 0.0422(14) 0.0590(16) -0.0095(12) 0.0010(14) 0.0175(14) C29 0.0539(15) 0.0405(13) 0.0569(15) -0.0032(11) 0.0073(11) 0.0061(11) F30 0.0654(12) 0.0634(11) 0.1250(19) -0.0178(11) 0.0446(12) -0.0021(9) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type Cu1 0.48277(3) 0.10019(2) 0.52026(2) 0.0339 1.0000 Uani O1 0.31142(15) 0.05343(13) 0.55536(12) 0.0426 1.0000 Uani O2 0.34424(16) -0.11656(13) 0.51981(14) 0.0475 1.0000 Uani C3 0.2777(2) -0.04318(18) 0.55071(14) 0.0356 1.0000 Uani C4 0.1522(2) -0.07510(19) 0.58413(16) 0.0378 1.0000 Uani C5 0.1288(3) -0.1840(2) 0.5947(2) 0.0535 1.0000 Uani C6 0.0137(3) -0.2204(3) 0.6243(3) 0.0804 1.0000 Uani C7 -0.0798(3) -0.1472(3) 0.6451(3) 0.0804 1.0000 Uani C8 -0.0583(3) -0.0402(3) 0.6359(2) 0.0617 1.0000 Uani C9 0.0562(2) -0.0057(2) 0.60575(17) 0.0444 1.0000 Uani F10 0.07046(15) 0.09985(12) 0.59495(13) 0.0573 1.0000 Uani O11 0.42011(18) 0.11661(15) 0.39444(12) 0.0489 1.0000 Uani O12 0.45416(19) -0.05440(16) 0.35940(12) 0.0519 1.0000 Uani C13 0.4192(2) 0.0389(2) 0.34065(15) 0.0407 1.0000 Uani C14 0.3721(2) 0.0568(2) 0.24492(17) 0.0429 1.0000 Uani C15 0.3463(3) -0.0315(3) 0.1900(2) 0.0584 1.0000 Uani C16 0.3077(4) -0.0200(3) 0.0999(2) 0.0774 1.0000 Uani C17 0.2922(4) 0.0803(4) 0.0632(2) 0.0821 1.0000 Uani C18 0.3134(4) 0.1700(3) 0.1167(2) 0.0782 1.0000 Uani C19 0.3538(3) 0.1566(2) 0.2059(2) 0.0582 1.0000 Uani F20 0.3712(3) 0.24469(17) 0.25450(16) 0.1018 1.0000 Uani O21 0.44521(18) 0.26365(14) 0.56538(14) 0.0510 1.0000 Uani O22 0.2531(2) 0.24870(17) 0.6168(2) 0.0830 1.0000 Uani C23 0.3561(2) 0.30146(19) 0.60220(16) 0.0409 1.0000 Uani C24 0.3540(2) 0.41381(18) 0.63451(17) 0.0408 1.0000 Uani C25 0.4563(3) 0.4787(2) 0.61417(19) 0.0516 1.0000 Uani C26 0.4595(4) 0.5848(2) 0.6392(2) 0.0627 1.0000 Uani C27 0.3600(4) 0.6282(2) 0.6862(2) 0.0626 1.0000 Uani C28 0.2597(3) 0.5660(2) 0.7077(2) 0.0594 1.0000 Uani C29 0.2584(3) 0.4601(2) 0.68231(19) 0.0503 1.0000 Uani F30 0.1600(2) 0.40157(16) 0.70892(19) 0.0838 1.0000 Uani H51 0.1962 -0.2367 0.5809 0.0527 1.0000 Uiso H61 -0.0020 -0.2986 0.6305 0.0757 1.0000 Uiso H71 -0.1627 -0.1733 0.6667 0.0761 1.0000 Uiso H81 -0.1248 0.0127 0.6516 0.0600 1.0000 Uiso H151 0.3549 -0.1048 0.2163 0.0579 1.0000 Uiso H161 0.2926 -0.0845 0.0613 0.0745 1.0000 Uiso H171 0.2642 0.0889 -0.0017 0.0774 1.0000 Uiso H181 0.3004 0.2428 0.0907 0.0748 1.0000 Uiso H251 0.5283 0.4478 0.5806 0.0513 1.0000 Uiso H261 0.5329 0.6305 0.6233 0.0607 1.0000 Uiso H271 0.3617 0.7051 0.7044 0.0577 1.0000 Uiso H281 0.1880 0.5968 0.7413 0.0581 1.0000 Uiso H22 0.2522 0.1805 0.5854 0.0500 1.0000 Uiso loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source 'C ' 0.0170 0.0090 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156 International_Tables_Vol_IV_Table_2.2B 'H ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7997 0.0030 International_Tables_Vol_IV_Table_2.2B 'O ' 0.0470 0.0320 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508 International_Tables_Vol_IV_Table_2.2B 'F ' 0.0690 0.0530 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476 0.2776 International_Tables_Vol_IV_Table_2.2B 'Cu ' -2.0190 0.5890 13.3380 3.5828 7.1676 0.2470 5.6158 11.3966 1.6735 64.8126 1.1910 International_Tables_Vol_IV_Table_2.2B loop_ _geom_angle_atom_site_label_1 _geom_angle_site_symmetry_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Cu1 2_656 Cu1 O1 . 84.95(5) yes Cu1 2_656 Cu1 O2 2_656 83.83(5) yes O1 . Cu1 O2 2_656 168.78(7) yes Cu1 2_656 Cu1 O11 . 86.04(5) yes O1 . Cu1 O11 . 89.28(8) yes O2 2_656 Cu1 O11 . 90.06(8) yes Cu1 2_656 Cu1 O12 2_656 83.04(6) yes O1 . Cu1 O12 2_656 88.36(8) yes O2 2_656 Cu1 O12 2_656 90.17(9) yes O11 . Cu1 O12 2_656 168.98(8) yes Cu1 2_656 Cu1 O21 . 174.80(5) yes O1 . Cu1 O21 . 91.16(7) yes O2 2_656 Cu1 O21 . 100.03(7) yes O11 . Cu1 O21 . 97.38(8) yes O12 2_656 Cu1 O21 . 93.43(8) yes Cu1 . O1 C3 . 121.78(15) yes Cu1 2_656 O2 C3 . 125.25(15) yes O1 . C3 O2 . 124.1(2) yes O1 . C3 C4 . 119.6(2) yes O2 . C3 C4 . 116.3(2) yes C3 . C4 C5 . 117.6(2) yes C3 . C4 C9 . 125.5(2) yes C5 . C4 C9 . 116.9(2) yes C4 . C5 C6 . 121.2(3) yes C4 . C5 H51 . 119.5(2) no C6 . C5 H51 . 119.3(3) no C5 . C6 C7 . 119.6(3) yes C5 . C6 H61 . 120.2(3) no C7 . C6 H61 . 120.2(3) no C6 . C7 C8 . 120.1(3) yes C6 . C7 H71 . 119.8(4) no C8 . C7 H71 . 120.1(4) no C7 . C8 C9 . 119.4(3) yes C7 . C8 H81 . 120.3(3) no C9 . C8 H81 . 120.3(3) no C4 . C9 C8 . 122.8(3) yes C4 . C9 F10 . 120.3(2) yes C8 . C9 F10 . 116.8(2) yes Cu1 . O11 C13 . 120.74(16) yes Cu1 2_656 O12 C13 . 124.22(17) yes O11 . C13 O12 . 125.9(2) yes O11 . C13 C14 . 118.3(2) yes O12 . C13 C14 . 115.8(2) yes C13 . C14 C15 . 118.9(3) yes C13 . C14 C19 . 124.3(2) yes C15 . C14 C19 . 116.9(2) yes C14 . C15 C16 . 121.5(3) yes C14 . C15 H151 . 119.3(3) no C16 . C15 H151 . 119.2(3) no C15 . C16 C17 . 120.0(3) yes C15 . C16 H161 . 119.9(4) no C17 . C16 H161 . 120.0(3) no C16 . C17 C18 . 120.0(3) yes C16 . C17 H171 . 120.2(4) no C18 . C17 H171 . 119.8(4) no C17 . C18 C19 . 118.9(3) yes C17 . C18 H181 . 120.2(3) no C19 . C18 H181 . 120.9(4) no C14 . C19 C18 . 122.7(3) yes C14 . C19 F20 . 120.8(2) yes C18 . C19 F20 . 116.5(3) yes Cu1 . O21 C23 . 131.10(16) yes C23 . O22 H22 . 111.4(2) no O21 . C23 O22 . 123.5(2) yes O21 . C23 C24 . 122.5(2) yes O22 . C23 C24 . 114.0(2) yes C23 . C24 C25 . 117.6(2) yes C23 . C24 C29 . 125.4(2) yes C25 . C24 C29 . 117.0(2) yes C24 . C25 C26 . 121.1(3) yes C24 . C25 H251 . 119.5(3) no C26 . C25 H251 . 119.4(3) no C25 . C26 C27 . 119.8(3) yes C25 . C26 H261 . 120.1(3) no C27 . C26 H261 . 120.1(3) no C26 . C27 C28 . 120.2(3) yes C26 . C27 H271 . 120.1(4) no C28 . C27 H271 . 119.8(3) no C27 . C28 C29 . 119.2(3) yes C27 . C28 H281 . 120.5(3) no C29 . C28 H281 . 120.3(3) no C24 . C29 C28 . 122.7(3) yes C24 . C29 F30 . 120.6(2) yes C28 . C29 F30 . 116.6(3) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Cu1 Cu1 2_656 2.6087(6) yes Cu1 O1 . 1.9957(16) yes Cu1 O2 2_656 1.9583(17) yes Cu1 O11 . 1.9624(18) yes Cu1 O12 2_656 1.9629(18) yes Cu1 O21 . 2.1931(17) yes O1 C3 . 1.264(3) yes O2 C3 . 1.253(3) yes C3 C4 . 1.490(3) yes C4 C5 . 1.396(4) yes C4 C9 . 1.385(3) yes C5 C6 . 1.388(4) yes C5 H51 . 1.000(3) no C6 C7 . 1.392(5) yes C6 H61 . 0.999(3) no C7 C8 . 1.368(6) yes C7 H71 . 1.000(3) no C8 C9 . 1.377(4) yes C8 H81 . 1.001(3) no C9 F10 . 1.341(3) yes O11 C13 . 1.255(3) yes O12 C13 . 1.255(3) yes C13 C14 . 1.500(3) yes C14 C15 . 1.393(4) yes C14 C19 . 1.387(4) yes C15 C16 . 1.385(4) yes C15 H151 . 1.000(3) no C16 C17 . 1.376(6) yes C16 H161 . 0.999(4) no C17 C18 . 1.388(6) yes C17 H171 . 0.998(3) no C18 C19 . 1.381(4) yes C18 H181 . 0.997(4) no C19 F20 . 1.325(4) yes O21 C23 . 1.202(3) yes O22 C23 . 1.303(3) yes O22 H22 . 0.971(2) no C23 C24 . 1.486(3) yes C24 C25 . 1.397(4) yes C24 C29 . 1.381(4) yes C25 C26 . 1.380(4) yes C25 H251 . 1.001(3) no C26 C27 . 1.391(5) yes C26 H261 . 1.001(3) no C27 C28 . 1.364(5) yes C27 H271 . 1.000(3) no C28 C29 . 1.378(4) yes C28 H281 . 0.998(3) no C29 F30 . 1.345(3) yes loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma 2 0 0 73.67 73.81 0.34 4 0 0 13.87 17.94 0.22 6 0 0 54.49 57.84 0.66 8 0 0 8.73 8.96 0.44 10 0 0 32.56 31.93 0.48 12 0 0 11.24 10.61 0.45 1 1 0 92.55 81.95 0.29 2 1 0 102.22 102.27 0.37 3 1 0 62.71 60.44 0.44 4 1 0 10.23 8.49 0.28 5 1 0 102.54 108.67 0.57 6 1 0 15.91 17.31 0.29 7 1 0 40.04 41.76 0.54 8 1 0 26.89 25.77 0.39 9 1 0 29.11 28.12 0.43 10 1 0 29.37 28.69 0.40 11 1 0 21.54 21.28 0.44 12 1 0 12.96 12.72 0.46 13 1 0 -2.19 0.00 3.09 0 2 0 157.32 167.66 0.29 1 2 0 38.05 38.28 0.37 2 2 0 23.52 23.12 0.35 3 2 0 81.43 79.49 0.47 4 2 0 36.59 38.88 0.39 5 2 0 112.81 117.59 0.59 6 2 0 9.56 11.27 0.37 7 2 0 18.43 18.75 0.30 8 2 0 22.23 22.58 0.37 9 2 0 7.50 7.28 0.60 10 2 0 1.35 0.00 5.18 11 2 0 27.25 27.53 0.45 12 2 0 -2.11 0.00 4.33 13 2 0 15.99 15.75 0.41 1 3 0 3.62 3.70 0.56 2 3 0 80.24 76.86 0.47 3 3 0 67.46 61.20 0.55 4 3 0 13.35 7.20 0.26 5 3 0 26.41 26.73 0.38 6 3 0 7.09 9.50 0.40 7 3 0 9.47 11.18 0.43 8 3 0 10.91 12.39 0.46 9 3 0 5.07 0.00 1.71 10 3 0 27.30 27.15 0.44 11 3 0 2.04 0.00 3.61 12 3 0 29.70 29.70 0.51 13 3 0 -1.16 0.00 5.65 0 4 0 62.94 63.35 0.43 1 4 0 9.68 11.64 0.24 2 4 0 72.23 72.28 0.52 3 4 0 56.60 51.97 0.60 4 4 0 24.99 19.23 0.37 5 4 0 51.35 52.93 0.67 6 4 0 63.75 65.94 0.74 7 4 0 9.56 11.27 0.47 8 4 0 18.89 20.31 0.38 9 4 0 5.21 3.64 0.87 10 4 0 15.25 14.67 0.44 11 4 0 20.99 21.57 0.39 12 4 0 14.63 14.47 0.43 1 5 0 126.22 131.53 0.51 2 5 0 68.23 60.09 0.61 3 5 0 78.79 68.64 0.67 4 5 0 8.46 8.15 0.38 5 5 0 58.22 61.73 0.71 6 5 0 14.00 14.21 0.33 7 5 0 47.33 48.79 0.59 8 5 0 2.46 0.00 4.20 9 5 0 12.00 12.58 0.50 10 5 0 5.94 5.99 0.78 11 5 0 -2.74 0.00 2.88 12 5 0 1.50 0.00 3.24 0 6 0 176.33 183.24 0.56 1 6 0 30.02 30.63 0.44 2 6 0 45.14 46.07 0.65 3 6 0 48.85 49.57 0.64 4 6 0 55.18 57.54 0.70 5 6 0 55.81 56.43 0.76 6 6 0 28.11 29.67 0.41 7 6 0 12.49 13.89 0.48 8 6 0 18.18 18.83 0.42 9 6 0 23.47 24.36 0.40 10 6 0 -1.65 0.00 5.35 11 6 0 10.67 10.24 0.44 12 6 0 8.41 8.07 0.52 1 7 0 11.58 12.64 0.29 2 7 0 18.77 15.40 0.30 3 7 0 23.95 23.17 0.39 4 7 0 46.90 48.47 0.54 5 7 0 12.73 13.27 0.40 6 7 0 44.85 45.95 0.62 7 7 0 13.52 14.95 0.48 8 7 0 18.16 15.96 0.46 9 7 0 8.60 9.58 0.65 10 7 0 25.01 26.12 0.38 11 7 0 4.36 0.00 1.42 0 8 0 26.70 28.68 0.39 1 8 0 5.76 0.00 1.16 2 8 0 42.36 42.80 0.55 3 8 0 3.60 0.00 0.98 4 8 0 7.57 6.95 0.51 5 8 0 66.49 67.58 0.87 6 8 0 4.13 0.00 2.19 7 8 0 14.17 13.05 0.48 8 8 0 -6.23 0.00 2.16 9 8 0 16.93 17.77 0.45 10 8 0 2.04 0.00 3.93 11 8 0 22.47 22.70 0.36 1 9 0 16.00 14.82 0.33 2 9 0 9.25 9.95 0.42 3 9 0 27.61 26.73 0.40 4 9 0 24.33 24.28 0.39 5 9 0 21.21 21.45 0.44 6 9 0 9.01 9.92 0.53 7 9 0 32.70 33.68 0.47 8 9 0 19.15 19.35 0.45 9 9 0 14.27 15.16 0.45 10 9 0 16.16 16.15 0.42 0 10 0 27.29 25.84 0.39 1 10 0 16.02 15.68 0.38 2 10 0 66.42 64.56 0.89 3 10 0 18.50 19.17 0.42 4 10 0 14.84 14.92 0.43 5 10 0 17.89 17.77 0.45 6 10 0 40.05 41.04 0.61 7 10 0 14.88 14.64 0.47 8 10 0 12.01 12.05 0.50 9 10 0 6.15 5.22 0.76 10 10 0 4.34 0.00 1.46 1 11 0 11.66 11.01 0.52 2 11 0 22.80 22.22 0.43 3 11 0 41.34 40.67 0.62 4 11 0 35.77 35.23 0.61 5 11 0 25.63 25.71 0.42 6 11 0 19.56 18.72 0.43 7 11 0 16.98 16.98 0.42 8 11 0 2.07 0.00 2.86 9 11 0 10.38 9.29 0.51 0 12 0 8.30 9.50 0.62 1 12 0 19.42 19.84 0.43 2 12 0 9.71 9.61 0.59 3 12 0 17.18 17.70 0.46 4 12 0 8.49 7.85 0.70 5 12 0 34.53 34.59 0.57 6 12 0 5.06 0.00 0.90 7 12 0 14.70 14.70 0.43 8 12 0 -1.99 0.00 3.17 1 13 0 25.61 25.49 0.43 2 13 0 7.72 8.13 0.74 3 13 0 8.87 9.18 0.60 4 13 0 14.66 15.67 0.49 5 13 0 11.03 10.44 0.46 6 13 0 11.80 12.00 0.49 7 13 0 -2.41 0.00 2.20 0 14 0 37.71 37.18 0.57 1 14 0 -2.82 0.00 3.44 2 14 0 12.56 11.93 0.47 3 14 0 1.39 0.00 4.66 4 14 0 14.53 14.78 0.43 5 14 0 5.95 6.64 0.66 6 14 0 4.35 0.00 0.96 1 15 0 18.60 19.72 0.39 2 15 0 -1.62 0.00 4.35 3 15 0 1.62 0.00 2.30 -13 0 1 1.48 0.00 4.21 -11 0 1 11.51 10.13 0.48 -9 0 1 11.75 11.88 0.52 -7 0 1 28.38 27.85 0.38 -5 0 1 55.20 55.29 0.59 -3 0 1 163.85 177.54 0.43 -1 0 1 85.72 92.65 0.27 1 0 1 173.82 169.70 0.24 3 0 1 32.21 34.18 0.41 5 0 1 99.56 104.24 0.57 7 0 1 48.57 51.76 0.68 9 0 1 48.50 47.83 0.64 11 0 1 -3.51 0.00 2.36 13 0 1 5.97 6.38 0.62 -13 1 1 7.94 8.20 0.50 -12 1 1 -1.72 0.00 4.45 -11 1 1 1.71 0.00 4.49 -10 1 1 14.66 14.42 0.43 -9 1 1 11.62 11.47 0.52 -8 1 1 -0.72 0.00 11.69 -7 1 1 16.60 17.29 0.33 -6 1 1 19.01 19.65 0.30 -5 1 1 99.83 102.62 0.58 -4 1 1 73.67 79.06 0.52 -3 1 1 115.17 125.09 0.44 -2 1 1 227.42 234.42 0.37 -1 1 1 13.06 10.26 0.20 0 1 1 169.16 153.06 0.25 1 1 1 31.58 32.84 0.33 2 1 1 4.45 9.50 0.69 3 1 1 11.87 13.52 0.23 4 1 1 8.64 7.72 0.30 5 1 1 52.70 57.30 0.58 6 1 1 19.92 21.11 0.30 7 1 1 14.08 14.26 0.37 8 1 1 6.41 4.72 0.61 9 1 1 6.46 6.16 0.69 10 1 1 8.47 7.16 0.64 11 1 1 6.66 7.17 0.81 12 1 1 19.78 20.40 0.39 13 1 1 10.82 9.37 0.42 -13 2 1 3.28 0.00 1.24 -12 2 1 27.54 26.38 0.40 -11 2 1 11.10 10.71 0.60 -10 2 1 39.35 38.41 0.58 -9 2 1 24.26 25.72 0.39 -8 2 1 26.76 27.38 0.44 -7 2 1 10.03 10.43 0.45 -6 2 1 18.73 18.84 0.29 -5 2 1 56.27 58.11 0.62 -4 2 1 99.85 101.37 0.55 -3 2 1 63.53 61.80 0.48 -2 2 1 23.02 25.98 0.34 -1 2 1 33.24 29.20 0.39 0 2 1 90.47 91.78 0.32 1 2 1 55.39 58.75 0.34 2 2 1 44.66 44.35 0.45 3 2 1 1.56 0.00 3.69 4 2 1 40.00 41.01 0.54 5 2 1 37.62 39.74 0.43 6 2 1 32.98 35.29 0.51 7 2 1 18.76 18.77 0.34 8 2 1 35.57 34.94 0.55 9 2 1 23.09 22.43 0.39 10 2 1 20.34 21.38 0.44 11 2 1 5.73 0.00 1.26 12 2 1 31.73 30.86 0.48 13 2 1 1.19 0.00 4.98 -13 3 1 14.68 14.76 0.40 -12 3 1 7.59 6.83 0.58 -11 3 1 28.00 28.01 0.43 -10 3 1 9.20 9.33 0.49 -9 3 1 1.84 0.00 3.69 -8 3 1 20.88 21.20 0.34 -7 3 1 46.78 47.57 0.56 -6 3 1 5.90 5.21 0.49 -5 3 1 46.38 48.12 0.64 -4 3 1 5.42 3.11 0.49 -3 3 1 80.47 77.56 0.53 -2 3 1 52.27 48.86 0.48 -1 3 1 46.11 43.63 0.43 0 3 1 28.16 29.30 0.36 1 3 1 9.00 8.59 0.24 2 3 1 35.80 32.34 0.51 3 3 1 75.26 67.36 0.57 4 3 1 36.89 36.13 0.41 5 3 1 12.47 15.57 0.30 6 3 1 29.38 31.66 0.43 7 3 1 24.24 24.76 0.31 8 3 1 20.67 22.14 0.34 9 3 1 6.98 6.62 0.65 10 3 1 4.51 0.00 0.99 11 3 1 24.11 24.14 0.41 12 3 1 7.83 6.61 0.63 13 3 1 19.96 20.26 0.36 -12 4 1 16.06 15.38 0.41 -11 4 1 8.18 8.61 0.58 -10 4 1 7.20 6.54 0.60 -9 4 1 10.51 11.75 0.58 -8 4 1 20.81 21.95 0.35 -7 4 1 42.31 42.63 0.58 -6 4 1 25.49 26.31 0.39 -5 4 1 105.34 109.58 0.66 -4 4 1 8.87 8.41 0.34 -3 4 1 18.42 19.83 0.28 -2 4 1 56.77 56.85 0.52 -1 4 1 54.42 50.87 0.47 0 4 1 43.93 44.13 0.45 1 4 1 97.46 107.22 0.44 2 4 1 10.78 11.00 0.29 3 4 1 88.97 86.56 0.55 4 4 1 35.67 31.90 0.45 5 4 1 5.21 0.78 0.49 6 4 1 1.31 0.00 5.09 7 4 1 60.83 66.61 0.81 8 4 1 33.25 33.70 0.47 9 4 1 19.96 18.87 0.41 10 4 1 -4.27 0.00 2.05 11 4 1 9.02 9.26 0.56 12 4 1 17.02 16.52 0.41 -12 5 1 8.20 7.96 0.53 -11 5 1 9.75 10.62 0.52 -10 5 1 1.45 0.00 6.18 -9 5 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6 1 12.89 14.37 0.46 10 6 1 23.28 24.29 0.43 11 6 1 3.34 0.00 1.98 12 6 1 6.82 7.51 0.60 -11 7 1 21.29 21.51 0.39 -10 7 1 12.62 12.47 0.45 -9 7 1 34.33 36.10 0.52 -8 7 1 4.32 0.00 2.20 -7 7 1 13.87 15.37 0.44 -6 7 1 18.59 18.86 0.38 -5 7 1 63.30 64.29 0.81 -4 7 1 37.86 37.76 0.54 -3 7 1 59.63 61.77 0.75 -2 7 1 26.79 28.40 0.43 -1 7 1 34.11 34.00 0.48 0 7 1 21.59 20.38 0.31 1 7 1 61.36 58.73 0.66 2 7 1 1.19 0.00 4.05 3 7 1 12.04 11.12 0.37 4 7 1 4.85 6.71 0.69 5 7 1 49.17 48.64 0.59 6 7 1 24.73 25.43 0.37 7 7 1 8.57 7.27 0.58 8 7 1 3.90 0.00 1.17 9 7 1 9.76 8.98 0.57 10 7 1 4.98 0.00 0.90 11 7 1 13.24 13.40 0.43 -11 8 1 1.20 0.00 3.48 -10 8 1 28.41 28.64 0.49 -9 8 1 2.32 0.00 2.03 -8 8 1 18.73 17.42 0.43 -7 8 1 11.60 10.73 0.54 -6 8 1 6.03 5.84 0.75 -5 8 1 13.46 13.56 0.42 -4 8 1 43.81 45.16 0.59 -3 8 1 3.17 0.00 2.01 -2 8 1 18.67 17.68 0.31 -1 8 1 36.33 35.45 0.52 0 8 1 13.09 11.40 0.32 1 8 1 18.02 20.50 0.33 2 8 1 20.34 19.62 0.32 3 8 1 22.96 21.39 0.36 4 8 1 0.30 0.00 26.08 5 8 1 18.68 18.02 0.39 6 8 1 55.45 55.55 0.65 7 8 1 29.46 30.63 0.48 8 8 1 23.72 25.13 0.40 9 8 1 2.73 0.00 2.68 10 8 1 24.93 25.84 0.37 11 8 1 1.52 0.00 3.13 -10 9 1 1.85 0.00 3.44 -9 9 1 19.79 18.34 0.43 -8 9 1 11.45 12.05 0.53 -7 9 1 31.31 31.90 0.46 -6 9 1 32.69 31.95 0.48 -5 9 1 17.60 17.63 0.44 -4 9 1 48.96 50.09 0.63 -3 9 1 7.43 7.56 0.56 -2 9 1 50.37 47.54 0.60 -1 9 1 10.78 9.62 0.42 0 9 1 40.28 40.28 0.59 1 9 1 11.57 12.32 0.45 2 9 1 50.32 51.05 0.60 3 9 1 25.40 25.28 0.38 4 9 1 13.98 12.93 0.43 5 9 1 4.37 0.00 1.08 6 9 1 12.18 13.67 0.46 7 9 1 8.99 8.04 0.53 8 9 1 25.24 26.32 0.45 9 9 1 6.92 6.90 0.66 10 9 1 13.61 13.96 0.43 -10 10 1 2.58 0.00 1.80 -9 10 1 7.14 7.18 0.68 -8 10 1 -3.16 0.00 2.91 -7 10 1 22.37 23.04 0.44 -6 10 1 18.39 18.40 0.42 -5 10 1 36.24 36.07 0.54 -4 10 1 25.16 25.65 0.38 -3 10 1 10.55 10.04 0.59 -2 10 1 26.80 26.62 0.44 -1 10 1 14.64 13.84 0.42 0 10 1 9.33 8.07 0.49 1 10 1 50.00 50.56 0.63 2 10 1 14.69 13.80 0.41 3 10 1 79.60 78.48 0.91 4 10 1 22.24 20.95 0.44 5 10 1 8.72 9.31 0.56 6 10 1 20.48 20.91 0.41 7 10 1 48.77 49.58 0.65 8 10 1 14.04 14.53 0.51 9 10 1 15.00 15.03 0.42 10 10 1 2.06 0.00 3.01 -9 11 1 12.42 12.68 0.43 -8 11 1 8.30 8.27 0.66 -7 11 1 19.79 19.38 0.42 -6 11 1 12.68 13.30 0.55 -5 11 1 19.04 19.02 0.40 -4 11 1 17.05 17.06 0.47 -3 11 1 14.39 15.55 0.46 -2 11 1 38.85 38.38 0.55 -1 11 1 9.47 9.10 0.64 0 11 1 21.28 19.91 0.44 1 11 1 3.39 0.00 2.89 2 11 1 43.49 41.89 0.68 3 11 1 22.17 22.47 0.45 4 11 1 23.51 22.52 0.42 5 11 1 4.43 0.00 1.11 6 11 1 6.96 5.18 0.73 7 11 1 1.73 0.00 5.42 8 11 1 16.70 16.23 0.45 9 11 1 1.73 0.00 3.03 -8 12 1 9.53 10.79 0.52 -7 12 1 -3.45 0.00 2.49 -6 12 1 11.96 13.45 0.47 -5 12 1 8.29 8.92 0.70 -4 12 1 18.54 18.82 0.47 -3 12 1 13.74 13.19 0.46 -2 12 1 13.49 13.95 0.48 -1 12 1 2.08 0.00 4.51 0 12 1 -4.61 0.00 2.32 1 12 1 -3.75 0.00 3.29 2 12 1 6.03 6.58 0.81 3 12 1 39.04 38.76 0.61 4 12 1 22.42 23.21 0.46 5 12 1 15.85 15.41 0.46 6 12 1 11.69 10.40 0.48 7 12 1 9.36 9.85 0.57 8 12 1 7.16 7.65 0.61 -7 13 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77.53 0.66 8 0 2 19.76 18.75 0.33 10 0 2 40.25 39.10 0.60 12 0 2 7.26 7.52 0.65 -13 1 2 -2.98 0.00 2.28 -12 1 2 12.67 12.42 0.45 -11 1 2 1.14 0.00 5.55 -10 1 2 -1.30 0.00 5.24 -9 1 2 33.49 31.28 0.51 -8 1 2 23.36 23.77 0.38 -7 1 2 6.37 7.24 0.53 -6 1 2 45.05 46.29 0.50 -5 1 2 135.17 137.57 0.61 -4 1 2 59.67 64.44 0.54 -3 1 2 127.16 134.50 0.46 -2 1 2 38.76 42.49 0.42 -1 1 2 37.20 37.66 0.37 0 1 2 48.36 46.55 0.34 1 1 2 74.80 76.96 0.33 2 1 2 77.83 70.38 0.41 3 1 2 11.68 10.04 0.23 4 1 2 6.91 6.23 0.36 5 1 2 50.28 56.32 0.59 6 1 2 42.91 42.65 0.49 7 1 2 28.00 29.02 0.44 8 1 2 25.20 25.37 0.38 9 1 2 24.25 24.03 0.37 10 1 2 22.69 22.24 0.40 11 1 2 20.55 20.23 0.44 12 1 2 14.14 12.90 0.40 13 1 2 1.86 0.00 2.54 -13 2 2 13.48 13.74 0.41 -12 2 2 7.97 8.02 0.57 -11 2 2 24.93 24.68 0.42 -10 2 2 1.28 0.00 2.59 -9 2 2 19.07 18.73 0.40 -8 2 2 4.19 3.49 0.70 -7 2 2 74.74 78.20 0.79 -6 2 2 24.90 24.04 0.33 -5 2 2 114.31 114.56 0.65 -4 2 2 71.40 71.94 0.57 -3 2 2 5.09 6.35 0.49 -2 2 2 24.08 23.18 0.38 -1 2 2 41.35 37.61 0.43 0 2 2 27.83 30.54 0.30 1 2 2 78.04 80.37 0.36 2 2 2 -3.42 0.00 1.54 3 2 2 8.40 10.56 0.27 4 2 2 34.92 39.12 0.51 5 2 2 7.67 9.89 0.36 6 2 2 37.26 36.90 0.47 7 2 2 21.07 19.78 0.31 8 2 2 -1.61 0.00 2.42 9 2 2 8.42 8.22 0.53 10 2 2 29.12 29.08 0.46 11 2 2 25.60 25.07 0.39 12 2 2 7.92 8.71 0.67 13 2 2 24.35 24.22 0.34 -13 3 2 0.45 0.00 11.30 -12 3 2 21.81 22.04 0.39 -11 3 2 -5.33 0.00 1.86 -10 3 2 33.73 33.13 0.53 -9 3 2 10.08 10.34 0.56 -8 3 2 45.10 43.10 0.63 -7 3 2 23.08 22.35 0.33 -6 3 2 81.89 83.73 0.72 -5 3 2 27.76 25.02 0.37 -4 3 2 7.72 11.11 0.38 -3 3 2 35.97 36.01 0.41 -2 3 2 95.26 93.91 0.49 -1 3 2 54.85 53.30 0.46 0 3 2 13.49 13.22 0.25 1 3 2 32.26 33.82 0.44 2 3 2 4.46 3.76 0.41 3 3 2 39.87 42.70 0.48 4 3 2 20.49 21.61 0.30 5 3 2 25.79 29.80 0.37 6 3 2 4.11 5.13 0.69 7 3 2 21.76 22.52 0.31 8 3 2 32.31 32.37 0.49 9 3 2 11.66 11.83 0.52 10 3 2 9.66 9.53 0.60 11 3 2 8.21 7.57 0.59 12 3 2 26.45 26.36 0.40 -12 4 2 -0.92 0.00 7.82 -11 4 2 6.55 6.94 0.71 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0.58 8 5 2 16.76 18.22 0.43 9 5 2 19.86 19.94 0.40 10 5 2 2.17 0.00 2.88 11 5 2 6.72 6.07 0.67 12 5 2 3.03 0.00 1.71 -12 6 2 -2.45 0.00 2.54 -11 6 2 10.81 11.30 0.46 -10 6 2 -2.97 0.00 2.71 -9 6 2 22.39 22.55 0.42 -8 6 2 2.49 0.00 3.73 -7 6 2 17.47 17.29 0.42 -6 6 2 17.35 18.69 0.38 -5 6 2 43.04 43.98 0.55 -4 6 2 56.35 53.48 0.79 -3 6 2 16.23 17.33 0.29 -2 6 2 91.36 89.47 0.65 -1 6 2 -2.10 0.00 3.85 0 6 2 63.65 62.36 0.60 1 6 2 20.15 15.93 0.28 2 6 2 37.75 41.45 0.46 3 6 2 41.99 41.87 0.48 4 6 2 62.59 64.19 0.71 5 6 2 33.04 30.84 0.49 6 6 2 38.59 39.94 0.63 7 6 2 9.08 9.15 0.47 8 6 2 10.02 10.70 0.59 9 6 2 4.28 0.00 1.83 10 6 2 19.68 20.67 0.44 11 6 2 14.31 14.36 0.44 12 6 2 9.93 9.65 0.51 -11 7 2 -2.36 0.00 3.17 -10 7 2 21.83 22.45 0.41 -9 7 2 17.49 17.31 0.52 -8 7 2 18.69 19.77 0.41 -7 7 2 3.02 0.00 1.51 -6 7 2 21.15 21.18 0.33 -5 7 2 28.88 30.41 0.44 -4 7 2 42.82 39.62 0.63 -3 7 2 30.00 28.94 0.41 -2 7 2 13.56 12.33 0.29 -1 7 2 1.90 0.00 4.27 0 7 2 41.20 40.00 0.49 1 7 2 8.83 6.23 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