#------------------------------------------------------------------------------ #$Date: 2021-07-14 10:43:19 +0300 (Wed, 14 Jul 2021) $ #$Revision: 267528 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/41/1564147.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_1564147 loop_ _publ_author_name 'Shubin, Kirill' 'B\=erzi\,n\2sigma(I) _cod_data_source_file IVMgvl.cif _cod_data_source_block igvl _cod_original_formula_sum 'C98.10 H151.20 O29' _cod_database_code 1564147 _shelx_title ' iver_a.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 416.36 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O41 O 0.30868(16) 0.66909(8) 0.23171(9) 0.0264(5) Uani 1 1 d . . . O21 O 0.16890(17) 0.87787(10) 0.06652(10) 0.0311(5) Uani 1 1 d . . . O26 O 0.23649(16) 0.73544(10) -0.01043(9) 0.0292(5) Uani 1 1 d . . . O96 O 1.15677(17) 0.55409(10) 0.56220(10) 0.0319(5) Uani 1 1 d . . . O97 O 1.12121(15) 0.48442(10) 0.50255(9) 0.0277(5) Uani 1 1 d . . . O43 O 0.33764(16) 0.58303(9) 0.26720(10) 0.0291(5) Uani 1 1 d . . . O1K O 0.97260(19) 0.76527(11) 0.48203(10) 0.0350(6) Uani 1 1 d . . . O1M O 0.89477(17) 0.92730(10) 0.27472(10) 0.0317(5) Uani 1 1 d . . . O0P O 0.98325(18) 0.77056(10) 0.30655(10) 0.0325(5) Uani 1 1 d . . . O9K O 0.87474(19) 0.85533(10) 0.33566(10) 0.0348(6) Uani 1 1 d . . . O27 O 0.34468(17) 0.79418(12) -0.02377(10) 0.0350(6) Uani 1 1 d . . . O49 O 0.52836(17) 0.61390(13) 0.33385(12) 0.0396(6) Uani 1 1 d . . . O91 O 0.92339(19) 0.52036(11) 0.60699(11) 0.0373(6) Uani 1 1 d . . . O1 O 0.05236(17) 0.97798(10) 0.21134(13) 0.0379(6) Uani 1 1 d . . . O7M O 0.6861(2) 0.97552(11) 0.27490(12) 0.0401(6) Uani 1 1 d . . . H7M H 0.6761 0.9998 0.2531 0.060 Uiso 1 1 calc R . . O3K O 1.0106(3) 0.85229(11) 0.45268(12) 0.0472(8) Uani 1 1 d . . . O37 O 0.25587(18) 0.97646(13) 0.17029(18) 0.0517(9) Uani 1 1 d . . . H37 H 0.2779 0.9696 0.1413 0.078 Uiso 1 1 calc R . . O39 O 0.03881(19) 1.08377(11) 0.19588(15) 0.0428(7) Uani 1 1 d . . . H39 H 0.0073 1.0586 0.1991 0.064 Uiso 1 1 calc R . . O71 O 0.6702(2) 0.55518(16) 0.67946(16) 0.0592(10) Uani 1 1 d . . . O8M O 0.6730(2) 0.87287(13) 0.22309(16) 0.0532(8) Uani 1 1 d . . . O60 O 0.5645(2) 0.63665(14) 0.22610(16) 0.0528(8) Uani 1 1 d . . . O51 O 0.5885(2) 0.53668(16) 0.37240(12) 0.0485(8) Uani 1 1 d . . . C0M C 0.8833(2) 0.87070(13) 0.28022(13) 0.0301(7) Uani 1 1 d . . . H0M H 0.9302 0.8520 0.2652 0.036 Uiso 1 1 calc R . . O7I O 0.7458(3) 0.5114(2) 0.55015(17) 0.0855(18) Uani 1 1 d . . . C11 C 0.1717(2) 0.81644(12) 0.22565(13) 0.0248(6) Uani 1 1 d . . . H11 H 0.1195 0.8138 0.2383 0.030 Uiso 1 1 calc R . . C25 C 0.2635(2) 0.78367(15) -0.03618(13) 0.0294(7) Uani 1 1 d . . . C18 C 0.2460(2) 0.73722(13) 0.04772(12) 0.0276(6) Uani 1 1 d . . . H18 H 0.3028 0.7426 0.0563 0.033 Uiso 1 1 calc R . . C42 C 0.3399(2) 0.61719(12) 0.22031(13) 0.0291(7) Uani 1 1 d . . . H42 H 0.3077 0.6004 0.1916 0.035 Uiso 1 1 calc R . . C6K C 0.9682(2) 0.78521(13) 0.36141(12) 0.0282(7) Uani 1 1 d . . . H6K H 0.9221 0.7646 0.3749 0.034 Uiso 1 1 calc R . . O93 O 0.8871(3) 0.4371(2) 0.5776(3) 0.090(2) Uani 1 1 d . . . C95 C 1.1354(2) 0.49820(13) 0.55752(13) 0.0283(7) Uani 1 1 d . . . C15 C 0.1921(2) 0.67033(12) 0.17162(13) 0.0262(6) Uani 1 1 d . . . C3M C 0.7541(2) 0.94558(14) 0.25679(13) 0.0296(7) Uani 1 1 d . . . H3M H 0.7645 0.9544 0.2186 0.036 Uiso 1 1 calc R . . O23 O 0.2622(3) 0.94271(15) 0.0609(3) 0.099(2) Uani 1 1 d . . . C44 C 0.3898(2) 0.59932(14) 0.31160(13) 0.0296(7) Uani 1 1 d . . . H44 H 0.3755 0.6359 0.3241 0.036 Uiso 1 1 calc R . . C2M C 0.8275(2) 0.95970(13) 0.29031(14) 0.0313(7) Uani 1 1 d . . . H2M H 0.8157 0.9527 0.3287 0.038 Uiso 1 1 calc R . . C19 C 0.1980(2) 0.78428(13) 0.07163(13) 0.0296(7) Uani 1 1 d . . . H19A H 0.1414 0.7784 0.0652 0.035 Uiso 1 1 calc R . . H19B H 0.2066 0.7861 0.1106 0.035 Uiso 1 1 calc R . . C20 C 0.2240(2) 0.83713(13) 0.04546(13) 0.0265(6) Uani 1 1 d . . . H20 H 0.2790 0.8460 0.0561 0.032 Uiso 1 1 calc R . . C16 C 0.2406(2) 0.67903(13) 0.12986(13) 0.0289(7) Uani 1 1 d . . . H16 H 0.2944 0.6835 0.1384 0.035 Uiso 1 1 calc R . . C10 C 0.1963(2) 0.86658(13) 0.19920(14) 0.0275(6) Uani 1 1 d . . . H10 H 0.2476 0.8679 0.1846 0.033 Uiso 1 1 calc R . . C13 C 0.1965(2) 0.72179(12) 0.26115(12) 0.0269(6) Uani 1 1 d . . . H13 H 0.1380 0.7212 0.2638 0.032 Uiso 1 1 calc R . . C12 C 0.2208(2) 0.77362(12) 0.23273(13) 0.0260(6) Uani 1 1 d . . . H12 H 0.2727 0.7761 0.2193 0.031 Uiso 1 1 calc R . . C24 C 0.2174(3) 0.83358(15) -0.01617(14) 0.0331(7) Uani 1 1 d . . . H24A H 0.2393 0.8662 -0.0326 0.040 Uiso 1 1 calc R . . H24B H 0.1616 0.8307 -0.0267 0.040 Uiso 1 1 calc R . . C7K C 1.0407(3) 0.77352(14) 0.39731(15) 0.0353(8) Uani 1 1 d . . . H7KA H 1.0487 0.7345 0.3996 0.042 Uiso 1 1 calc R . . H7KB H 1.0880 0.7893 0.3807 0.042 Uiso 1 1 calc R . . C98 C 1.1902(2) 0.48835(13) 0.46741(13) 0.0280(6) Uani 1 1 d . . . H98 H 1.2122 0.5252 0.4702 0.034 Uiso 1 1 calc R . . C2I C 1.1595(2) 0.47968(16) 0.40956(14) 0.0323(7) Uani 1 1 d . . . H2I H 1.2062 0.4804 0.3854 0.039 Uiso 1 1 calc R . . C85 C 1.0367(3) 0.72933(15) 0.56411(15) 0.0362(8) Uani 1 1 d . . . C2 C 0.0679(2) 0.92034(13) 0.21651(15) 0.0298(7) Uani 1 1 d . . . H2A H 0.0288 0.8995 0.1960 0.036 Uiso 1 1 calc R . . H2B H 0.0652 0.9093 0.2543 0.036 Uiso 1 1 calc R . . C86 C 1.0729(3) 0.69180(14) 0.53340(15) 0.0351(8) Uani 1 1 d . . . H86 H 1.0617 0.6927 0.4964 0.042 Uiso 1 1 calc R . . C84 C 0.9782(3) 0.76945(15) 0.54013(13) 0.0372(9) Uani 1 1 d . . . H84 H 0.9967 0.8062 0.5491 0.045 Uiso 1 1 calc R . . C89 C 1.0191(3) 0.58277(14) 0.57469(16) 0.0359(8) Uani 1 1 d . . . H89A H 1.0268 0.5925 0.6126 0.043 Uiso 1 1 calc R . . H89B H 0.9780 0.6064 0.5598 0.043 Uiso 1 1 calc R . . C17 C 0.2197(3) 0.68262(13) 0.06986(13) 0.0310(7) Uani 1 1 d . . . H17A H 0.2463 0.6536 0.0501 0.037 Uiso 1 1 calc R . . H17B H 0.1624 0.6784 0.0651 0.037 Uiso 1 1 calc R . . C1I C 1.2048(3) 0.46559(14) 0.58117(15) 0.0339(8) Uani 1 1 d . . . H1IA H 1.2199 0.4814 0.6158 0.041 Uiso 1 1 calc R . . H1IB H 1.1870 0.4286 0.5879 0.041 Uiso 1 1 calc R . . C3 C 0.1502(2) 0.91122(13) 0.19431(15) 0.0301(7) Uani 1 1 d . . . C31 C 0.2525(3) 0.77649(17) -0.09753(13) 0.0352(7) Uani 1 1 d . . . H31A H 0.1995 0.7619 -0.1044 0.042 Uiso 1 1 calc R . . H31B H 0.2556 0.8119 -0.1149 0.042 Uiso 1 1 calc R . . C2K C 1.0307(3) 0.79640(15) 0.45410(15) 0.0370(8) Uani 1 1 d . . . H2K H 1.0818 0.7926 0.4733 0.044 Uiso 1 1 calc R . . C94 C 1.0584(3) 0.48608(14) 0.58826(14) 0.0343(8) Uani 1 1 d . . . H94A H 1.0425 0.4487 0.5815 0.041 Uiso 1 1 calc R . . H94B H 1.0677 0.4901 0.6270 0.041 Uiso 1 1 calc R . . C88 C 1.0969(2) 0.59124(13) 0.54367(13) 0.0290(7) Uani 1 1 d . . . H88 H 1.0874 0.5854 0.5048 0.035 Uiso 1 1 calc R . . C5K C 0.9489(3) 0.84555(13) 0.36274(14) 0.0323(7) Uani 1 1 d . . . H5K H 0.9918 0.8662 0.3451 0.039 Uiso 1 1 calc R . . O9I O 0.5503(3) 0.4764(3) 0.6689(3) 0.094(2) Uani 1 1 d . . . H9I H 0.5586 0.4890 0.6992 0.141 Uiso 1 1 calc R . . C14 C 0.2233(2) 0.67057(12) 0.22954(12) 0.0273(6) Uani 1 1 d . . . H14 H 0.2024 0.6384 0.2483 0.033 Uiso 1 1 calc R . . C9 C 0.1739(2) 0.96406(13) 0.16639(18) 0.0337(8) Uani 1 1 d . . . C90 C 0.9917(2) 0.52395(15) 0.57093(14) 0.0316(7) Uani 1 1 d . . . H90 H 0.9753 0.5156 0.5336 0.038 Uiso 1 1 calc R . . C47 C 0.4257(3) 0.62389(17) 0.19964(14) 0.0396(9) Uani 1 1 d . . . H47A H 0.4431 0.5900 0.1831 0.048 Uiso 1 1 calc R . . H47B H 0.4267 0.6518 0.1718 0.048 Uiso 1 1 calc R . . C22 C 0.1965(3) 0.92711(14) 0.0741(2) 0.0404(9) Uani 1 1 d . . . C0I C 1.2776(3) 0.46401(15) 0.54455(18) 0.0392(9) Uani 1 1 d . . . H0IA H 1.3159 0.4379 0.5587 0.047 Uiso 1 1 calc R . . H0IB H 1.3029 0.4995 0.5441 0.047 Uiso 1 1 calc R . . C30 C 0.3143(3) 0.73906(17) -0.12301(14) 0.0385(8) Uani 1 1 d . . . H30A H 0.3024 0.7018 -0.1130 0.046 Uiso 1 1 calc R . . H30B H 0.3108 0.7418 -0.1623 0.046 Uiso 1 1 calc R . . C45 C 0.4754(2) 0.59904(14) 0.29055(14) 0.0311(7) Uani 1 1 d . . . H45 H 0.4890 0.5625 0.2775 0.037 Uiso 1 1 calc R . . C29 C 0.3990(3) 0.75267(16) -0.10530(14) 0.0357(8) Uani 1 1 d . . . H29 H 0.4124 0.7892 -0.1184 0.043 Uiso 1 1 calc R . . C40 C 0.2305(3) 0.72007(14) 0.31873(13) 0.0355(8) Uani 1 1 d . . . H40A H 0.2877 0.7235 0.3173 0.053 Uiso 1 1 calc R . . H40B H 0.2166 0.6861 0.3356 0.053 Uiso 1 1 calc R . . H40C H 0.2087 0.7495 0.3396 0.053 Uiso 1 1 calc R . . C99 C 1.2538(2) 0.44789(15) 0.48635(16) 0.0354(8) Uani 1 1 d . . . H99 H 1.2304 0.4114 0.4871 0.042 Uiso 1 1 calc R . . C83 C 0.8936(3) 0.76199(17) 0.56453(15) 0.0411(9) Uani 1 1 d . . . H83 H 0.8980 0.7675 0.6039 0.049 Uiso 1 1 calc R . . C46 C 0.4837(3) 0.63925(15) 0.24469(16) 0.0368(8) Uani 1 1 d . . . H46 H 0.4718 0.6760 0.2578 0.044 Uiso 1 1 calc R . . C73 C 0.7658(3) 0.5861(2) 0.61586(17) 0.0437(9) Uani 1 1 d . . . O58 O 0.7370(3) 0.65160(19) 0.4375(2) 0.0687(11) Uani 1 1 d . . . C8 C 0.1259(2) 1.00530(14) 0.1999(2) 0.0389(9) Uani 1 1 d . . . H8 H 0.1540 1.0115 0.2343 0.047 Uiso 1 1 calc R . . C3I C 1.1031(3) 0.52583(17) 0.39109(16) 0.0384(8) Uani 1 1 d . . . H3I1 H 1.1297 0.5602 0.3960 0.058 Uiso 0.20 1 d PR . . H3I2 H 1.0551 0.5250 0.4121 0.058 Uiso 1 1 d R . . H3I3 H 1.0906 0.5212 0.3532 0.058 Uiso 1 1 d R . . C6 C 0.1070(2) 1.06046(14) 0.11148(19) 0.0375(8) Uani 1 1 d . . . C87 C 1.1303(3) 0.64792(14) 0.55229(16) 0.0358(8) Uani 1 1 d . . . H87A H 1.1416 0.6531 0.5906 0.043 Uiso 1 1 calc R . . H87B H 1.1803 0.6514 0.5325 0.043 Uiso 1 1 calc R . . C28 C 0.3998(3) 0.75316(19) -0.04329(16) 0.0409(9) Uani 1 1 d . . . H28 H 0.3801 0.7177 -0.0309 0.049 Uiso 1 1 calc R . . C5M C 0.8098(3) 0.85210(13) 0.24904(14) 0.0342(8) Uani 1 1 d . . . H5MA H 0.8208 0.8542 0.2104 0.041 Uiso 1 1 calc R . . H5MB H 0.7990 0.8143 0.2579 0.041 Uiso 1 1 calc R . . C4M C 0.7362(3) 0.88571(15) 0.26163(15) 0.0352(8) Uani 1 1 d . . . H4M H 0.7178 0.8776 0.2986 0.042 Uiso 1 1 calc R . . C62 C 0.1025(3) 0.66121(17) 0.16706(16) 0.0389(8) Uani 1 1 d . . . H62A H 0.0747 0.6920 0.1819 0.058 Uiso 1 1 calc R . . H62B H 0.0880 0.6291 0.1869 0.058 Uiso 1 1 calc R . . H62C H 0.0882 0.6568 0.1295 0.058 Uiso 1 1 calc R . . C6M C 0.8533(3) 1.01835(15) 0.28423(19) 0.0405(9) Uani 1 1 d . . . H6MA H 0.8997 1.0249 0.3062 0.061 Uiso 1 1 calc R . . H6MB H 0.8107 1.0419 0.2958 0.061 Uiso 1 1 calc R . . H6MC H 0.8658 1.0256 0.2468 0.061 Uiso 1 1 calc R . . C81 C 0.8295(3) 0.67384(17) 0.59266(15) 0.0411(9) Uani 1 1 d . . . H81 H 0.8196 0.6883 0.6270 0.049 Uiso 1 1 calc R . . C4 C 0.1410(2) 0.96200(13) 0.10657(17) 0.0344(7) Uani 1 1 d . . . H4 H 0.0891 0.9435 0.1077 0.041 Uiso 1 1 calc R . . C5 C 0.1278(3) 1.01731(16) 0.0820(2) 0.0422(9) Uani 1 1 d . . . H5 H 0.1344 1.0215 0.0447 0.051 Uiso 1 1 calc R . . C48 C 0.3764(3) 0.5585(2) 0.35666(19) 0.0466(10) Uani 1 1 d . . . H48A H 0.3242 0.5639 0.3721 0.070 Uiso 1 1 calc R . . H48B H 0.4162 0.5634 0.3843 0.070 Uiso 1 1 calc R . . H48C H 0.3801 0.5223 0.3422 0.070 Uiso 1 1 calc R . . C7 C 0.1091(2) 1.06070(14) 0.1733(2) 0.0412(9) Uani 1 1 d . . . H7 H 0.1534 1.0847 0.1838 0.049 Uiso 1 1 calc R . . O57 O 0.6453(3) 0.5849(2) 0.50727(16) 0.0703(12) Uani 1 1 d . . . H57 H 0.6664 0.6210 0.5069 0.091 Uiso 1 1 d R . . C50 C 0.5984(2) 0.5814(2) 0.3366(2) 0.0456(10) Uani 1 1 d . . . H50 H 0.6106 0.5676 0.3001 0.055 Uiso 1 1 calc R . . C80 C 0.8060(3) 0.61776(18) 0.58226(15) 0.0386(8) Uani 1 1 d . . . H80 H 0.8207 0.6029 0.5489 0.046 Uiso 1 1 calc R . . C82 C 0.8645(3) 0.70560(19) 0.55564(15) 0.0420(9) Uani 1 1 d . . . H82 H 0.8712 0.6911 0.5210 0.050 Uiso 1 1 calc R . . C4K C 0.9394(4) 0.86405(16) 0.42201(15) 0.0471(12) Uani 1 1 d . . . H4K H 0.8938 0.8451 0.4384 0.057 Uiso 1 1 calc R . . C5I C 1.1189(4) 0.42480(19) 0.40165(19) 0.0488(10) Uani 1 1 d . . . H5IA H 1.1008 0.4216 0.3647 0.073 Uiso 1 1 calc R . . H5IB H 1.0740 0.4220 0.4258 0.073 Uiso 1 1 calc R . . H5IC H 1.1563 0.3962 0.4094 0.073 Uiso 1 1 calc R . . C38 C 0.0831(3) 1.11351(15) 0.0853(3) 0.0532(12) Uani 1 1 d . . . H38A H 0.0994 1.1134 0.0478 0.080 Uiso 1 1 calc R . . H38B H 0.1086 1.1431 0.1039 0.080 Uiso 1 1 calc R . . H38C H 0.0261 1.1177 0.0873 0.080 Uiso 1 1 calc R . . C36 C 0.4581(3) 0.71234(19) -0.1295(2) 0.0491(10) Uani 1 1 d . . . H36A H 0.5117 0.7242 -0.1220 0.074 Uiso 1 1 calc R . . H36B H 0.4502 0.7103 -0.1681 0.074 Uiso 1 1 calc R . . H36C H 0.4495 0.6771 -0.1137 0.074 Uiso 1 1 calc R . . C2P C 1.0469(4) 0.7343(2) 0.62426(17) 0.0515(11) Uani 1 1 d . . . H2PA H 1.0033 0.7163 0.6423 0.077 Uiso 1 1 calc R . . H2PB H 1.0474 0.7720 0.6343 0.077 Uiso 1 1 calc R . . H2PC H 1.0965 0.7176 0.6349 0.077 Uiso 1 1 calc R . . C72 C 0.7246(3) 0.6004(2) 0.6686(2) 0.0508(11) Uani 1 1 d . . . H72A H 0.7633 0.6042 0.6978 0.061 Uiso 1 1 calc R . . H72B H 0.6952 0.6342 0.6651 0.061 Uiso 1 1 calc R . . C92 C 0.8737(3) 0.47772(19) 0.6032(2) 0.0513(12) Uani 1 1 d . . . C4I C 1.1440(3) 0.58066(18) 0.38148(19) 0.0324(9) Uani 0.80 1 d P . . H4IA H 1.1048 0.6070 0.3702 0.049 Uiso 0.80 1 calc PR . . H4IB H 1.1838 0.5768 0.3536 0.049 Uiso 0.80 1 calc PR . . H4IC H 1.1689 0.5926 0.4146 0.049 Uiso 0.80 1 calc PR . . C0K C 0.8349(4) 0.8050(2) 0.5427(2) 0.0554(12) Uani 1 1 d . . . H0KA H 0.8179 0.7950 0.5068 0.083 Uiso 1 1 calc R . . H0KB H 0.8610 0.8398 0.5415 0.083 Uiso 1 1 calc R . . H0KC H 0.7892 0.8071 0.5662 0.083 Uiso 1 1 calc R . . C74 C 0.8001(3) 0.48788(19) 0.6379(2) 0.0509(12) Uani 1 1 d . . . H74 H 0.8180 0.5082 0.6699 0.061 Uiso 1 1 calc R . . C54 C 0.6660(3) 0.6236(3) 0.4211(3) 0.0698(19) Uani 1 1 d . . . H54 H 0.6214 0.6484 0.4285 0.084 Uiso 1 1 calc R . . C1P C 0.9632(4) 0.71563(16) 0.29444(19) 0.0503(11) Uani 1 1 d . . . H1PA H 0.9834 0.7063 0.2591 0.075 Uiso 1 1 calc R . . H1PB H 0.9061 0.7114 0.2948 0.075 Uiso 1 1 calc R . . H1PC H 0.9867 0.6921 0.3212 0.075 Uiso 1 1 calc R . . C79 C 0.7447(3) 0.5264(2) 0.6052(2) 0.0532(13) Uani 1 1 d . . . C6I C 1.3277(3) 0.4471(2) 0.4498(2) 0.0558(13) Uani 1 1 d . . . H6IA H 1.3128 0.4353 0.4140 0.084 Uiso 1 1 calc R . . H6IB H 1.3667 0.4225 0.4645 0.084 Uiso 1 1 calc R . . H6IC H 1.3501 0.4830 0.4478 0.084 Uiso 1 1 calc R . . C52 C 0.5783(3) 0.5487(3) 0.4296(2) 0.0644(17) Uani 1 1 d . . . H52 H 0.5327 0.5735 0.4334 0.077 Uiso 1 1 calc R . . C32 C 0.4801(3) 0.7632(3) -0.0160(2) 0.0650(17) Uani 1 1 d . . . H32 H 0.5205 0.7447 -0.0381 0.078 Uiso 1 1 calc R . . C76 C 0.6817(5) 0.4302(3) 0.6635(4) 0.093(3) Uani 1 1 d . . . C77 C 0.6250(4) 0.4703(4) 0.6405(3) 0.094(3) Uani 1 1 d . . . H77 H 0.6103 0.4557 0.6048 0.113 Uiso 1 1 calc R . . C78 C 0.6595(3) 0.5263(3) 0.6287(3) 0.0713(19) Uani 1 1 d . . . H78 H 0.6235 0.5467 0.6048 0.086 Uiso 1 1 calc R . . C59 C 0.7497(4) 0.6996(6) 0.4123(6) 0.177(9) Uani 1 1 d . . . H59A H 0.7401 0.6956 0.3740 0.265 Uiso 1 1 calc R . . H59B H 0.8040 0.7109 0.4181 0.265 Uiso 1 1 calc R . . H59C H 0.7140 0.7265 0.4269 0.265 Uiso 1 1 calc R . . C55 C 0.6690(3) 0.6159(3) 0.3563(3) 0.0652(16) Uani 1 1 d . . . H55A H 0.6673 0.6513 0.3388 0.078 Uiso 1 1 calc R . . H55B H 0.7188 0.5983 0.3461 0.078 Uiso 1 1 calc R . . C8K C 0.9269(6) 0.9255(2) 0.4271(2) 0.077(2) Uani 1 1 d . . . H8KA H 0.9685 0.9442 0.4077 0.116 Uiso 1 1 calc R . . H8KB H 0.9284 0.9357 0.4647 0.116 Uiso 1 1 calc R . . H8KC H 0.8759 0.9352 0.4119 0.116 Uiso 1 1 calc R . . C53 C 0.6511(3) 0.5771(3) 0.4505(2) 0.0606(14) Uani 1 1 d . . . H53 H 0.6964 0.5526 0.4443 0.073 Uiso 1 1 calc R . . C9M C 0.6415(4) 0.8200(2) 0.2277(4) 0.0699(16) Uani 1 1 d . . . H9MA H 0.5925 0.8176 0.2075 0.105 Uiso 1 1 calc R . . H9MB H 0.6313 0.8120 0.2652 0.105 Uiso 1 1 calc R . . H9MC H 0.6793 0.7942 0.2134 0.105 Uiso 1 1 calc R . . C56 C 0.5617(5) 0.5015(5) 0.4600(2) 0.110(4) Uani 1 1 d . . . H56A H 0.5136 0.4849 0.4465 0.165 Uiso 1 1 calc R . . H56B H 0.5546 0.5111 0.4975 0.165 Uiso 1 1 calc R . . H56C H 0.6054 0.4765 0.4566 0.165 Uiso 1 1 calc R . . C61 C 0.5880(5) 0.6824(3) 0.1955(5) 0.093(3) Uani 1 1 d . . . H61A H 0.5778 0.6758 0.1577 0.139 Uiso 1 1 calc R . . H61B H 0.6441 0.6889 0.2008 0.139 Uiso 1 1 calc R . . H61C H 0.5581 0.7136 0.2072 0.139 Uiso 1 1 calc R . . C35 C 0.5005(4) 0.8255(4) -0.0175(3) 0.085(3) Uani 1 1 d . . . H35A H 0.4986 0.8383 -0.0543 0.127 Uiso 1 1 calc R . . H35B H 0.5532 0.8312 -0.0030 0.127 Uiso 1 1 calc R . . H35C H 0.4623 0.8452 0.0040 0.127 Uiso 1 1 calc R . . C75 C 0.7602(5) 0.4369(2) 0.6584(4) 0.086(3) Uani 1 1 d . . . H75A H 0.7786 0.4077 0.6350 0.103 Uiso 1 1 calc R . . H75B H 0.7829 0.4299 0.6940 0.103 Uiso 1 1 calc R . . C33 C 0.4839(4) 0.7372(4) 0.0421(3) 0.078(2) Uani 1 1 d . . . H33A H 0.5352 0.7431 0.0584 0.118 Uiso 1 1 d R . . H33B H 0.4760 0.6976 0.0390 0.118 Uiso 0.20 1 d PR . . H33C H 0.4427 0.7514 0.0648 0.118 Uiso 1 1 d R . . C8I C 0.6459(6) 0.3805(3) 0.6886(5) 0.136(6) Uani 1 1 d . . . H8IA H 0.6241 0.3896 0.7236 0.204 Uiso 1 1 calc R . . H8IB H 0.6865 0.3532 0.6928 0.204 Uiso 1 1 calc R . . H8IC H 0.6041 0.3668 0.6656 0.204 Uiso 1 1 calc R . . C34 C 0.4735(6) 0.6747(4) 0.0427(3) 0.073(2) Uani 0.80 1 d P . . H34A H 0.4984 0.6593 0.0111 0.110 Uiso 0.80 1 calc PR . . H34B H 0.4175 0.6659 0.0426 0.110 Uiso 0.80 1 calc PR . . H34C H 0.4980 0.6601 0.0748 0.110 Uiso 0.80 1 calc PR . . O1S O 0.4266(8) 0.8454(5) 0.2333(5) 0.091(3) Uiso 0.50 1 d P . . C2S C 0.4243 0.8337 0.1901 0.080 Uiso 0.50 1 d P . . C4S C 0.4883 0.9187 0.1835 0.080 Uiso 0.50 1 d P . . H4SA H 0.4635 0.9543 0.1817 0.096 Uiso 0.50 1 calc PR . . H4SB H 0.5424 0.9203 0.1692 0.096 Uiso 0.50 1 calc PR . . O2S O 0.4130 0.7863 0.1703 0.080 Uiso 0.50 1 d P . . C3S C 0.4468 0.8824 0.1614 0.080 Uiso 0.50 1 d P . . H3SA H 0.4752 0.8710 0.1289 0.096 Uiso 0.50 1 calc PR . . H3SB H 0.3977 0.8996 0.1493 0.096 Uiso 0.50 1 calc PR . . C5S C 0.4844 0.8940 0.2395 0.080 Uiso 0.50 1 d P . . H5S H 0.5375 0.8791 0.2476 0.096 Uiso 0.50 1 calc PR . . C6S C 0.4700 0.9374 0.2773 0.080 Uiso 0.50 1 d P . . H6SA H 0.4672 0.9229 0.3135 0.120 Uiso 0.50 1 calc PR . . H6SB H 0.4204 0.9550 0.2685 0.120 Uiso 0.50 1 calc PR . . H6SC H 0.5128 0.9633 0.2752 0.120 Uiso 0.50 1 calc PR . . 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 O41 0.0360(13) 0.0146(9) 0.0286(9) -0.0008(8) -0.0038(9) 0.0013(9) O21 0.0315(13) 0.0248(11) 0.0372(11) -0.0039(9) -0.0020(10) 0.0033(10) O26 0.0347(13) 0.0277(11) 0.0253(10) -0.0009(8) -0.0032(9) 0.0017(10) O96 0.0364(14) 0.0208(10) 0.0385(11) 0.0083(9) -0.0085(10) -0.0022(10) O97 0.0265(12) 0.0296(11) 0.0270(10) 0.0040(8) -0.0018(9) -0.0031(9) O43 0.0326(12) 0.0167(9) 0.0378(11) 0.0029(9) -0.0077(10) -0.0034(9) O1K 0.0481(16) 0.0305(12) 0.0264(10) 0.0034(9) -0.0034(11) 0.0074(11) O1M 0.0364(14) 0.0231(11) 0.0356(11) 0.0047(9) 0.0023(10) 0.0090(10) O0P 0.0464(15) 0.0210(10) 0.0301(11) -0.0015(8) 0.0107(10) 0.0050(10) O9K 0.0476(16) 0.0320(12) 0.0248(10) 0.0025(9) 0.0033(10) 0.0128(12) O27 0.0290(13) 0.0465(14) 0.0296(10) -0.0021(10) 0.0020(10) -0.0019(11) O49 0.0250(13) 0.0457(15) 0.0482(14) -0.0175(12) -0.0006(11) 0.0060(11) O91 0.0464(16) 0.0295(11) 0.0360(11) -0.0019(10) 0.0118(12) -0.0104(11) O1 0.0276(13) 0.0231(11) 0.0630(16) -0.0036(11) 0.0020(12) 0.0033(10) O7M 0.0427(16) 0.0338(13) 0.0440(13) 0.0050(11) -0.0012(12) 0.0103(12) O3K 0.079(2) 0.0247(12) 0.0380(13) 0.0030(10) -0.0076(15) 0.0092(13) O37 0.0235(13) 0.0353(13) 0.096(3) 0.0209(16) -0.0101(15) -0.0028(12) O39 0.0346(14) 0.0220(11) 0.0718(18) -0.0064(12) -0.0055(14) 0.0089(11) O71 0.056(2) 0.0582(19) 0.0637(19) -0.0366(17) 0.0289(17) -0.0211(17) O8M 0.0497(19) 0.0361(15) 0.074(2) -0.0091(14) -0.0162(17) -0.0031(14) O60 0.0386(17) 0.0486(17) 0.071(2) 0.0002(15) 0.0284(16) -0.0024(14) O51 0.0423(16) 0.067(2) 0.0358(13) -0.0090(13) -0.0066(12) 0.0187(15) C0M 0.043(2) 0.0226(14) 0.0245(13) 0.0023(11) 0.0047(13) 0.0068(14) O7I 0.056(2) 0.138(4) 0.063(2) -0.074(3) 0.0223(19) -0.030(3) C11 0.0273(15) 0.0169(12) 0.0303(12) -0.0017(11) -0.0003(12) 0.0016(12) C25 0.0256(17) 0.0385(17) 0.0240(13) 0.0047(12) 0.0004(12) 0.0036(14) C18 0.0292(16) 0.0270(15) 0.0267(13) -0.0022(11) -0.0040(12) -0.0012(13) C42 0.0414(19) 0.0163(12) 0.0297(13) -0.0026(11) -0.0036(14) 0.0030(13) C6K 0.0391(19) 0.0213(13) 0.0242(13) 0.0015(11) 0.0065(13) 0.0044(13) O93 0.056(2) 0.082(3) 0.132(4) -0.078(3) 0.054(3) -0.034(2) C95 0.0351(18) 0.0222(14) 0.0277(13) 0.0029(11) -0.0069(13) -0.0005(13) C15 0.0363(18) 0.0151(11) 0.0274(13) -0.0025(10) -0.0027(13) -0.0010(12) C3M 0.0320(17) 0.0261(15) 0.0307(13) 0.0021(11) -0.0015(13) 0.0050(14) O23 0.053(2) 0.0313(16) 0.214(7) -0.019(3) 0.068(3) -0.0084(16) C44 0.0251(16) 0.0312(15) 0.0325(14) 0.0014(13) -0.0019(13) 0.0016(13) C2M 0.0388(19) 0.0225(14) 0.0327(14) -0.0004(12) -0.0027(14) 0.0061(14) C19 0.0363(18) 0.0216(14) 0.0309(13) -0.0036(11) 0.0007(13) -0.0019(13) C20 0.0260(16) 0.0243(14) 0.0294(13) -0.0011(11) -0.0019(12) 0.0044(13) C16 0.0380(18) 0.0193(13) 0.0294(13) -0.0048(11) -0.0070(13) -0.0004(13) C10 0.0280(16) 0.0195(13) 0.0351(14) -0.0028(11) -0.0045(13) -0.0008(13) C13 0.0357(18) 0.0205(13) 0.0244(12) 0.0023(10) 0.0034(12) -0.0006(13) C12 0.0317(16) 0.0178(13) 0.0286(12) -0.0010(11) -0.0017(12) 0.0013(12) C24 0.0381(19) 0.0297(16) 0.0314(14) 0.0065(13) -0.0030(14) 0.0014(15) C7K 0.041(2) 0.0259(14) 0.0385(16) 0.0081(13) 0.0064(16) 0.0094(15) C98 0.0246(16) 0.0256(14) 0.0339(15) 0.0057(12) -0.0024(13) -0.0021(13) C2I 0.0287(17) 0.0389(17) 0.0293(14) 0.0034(13) 0.0004(13) 0.0007(15) C85 0.048(2) 0.0269(15) 0.0331(16) 0.0035(12) -0.0022(15) -0.0003(16) C2 0.0238(15) 0.0214(14) 0.0442(16) -0.0030(12) -0.0039(14) 0.0022(12) C86 0.047(2) 0.0239(14) 0.0347(15) 0.0054(12) -0.0021(15) 0.0020(15) C84 0.058(3) 0.0293(16) 0.0243(14) -0.0010(12) 0.0042(15) 0.0084(17) C89 0.040(2) 0.0239(15) 0.0438(17) 0.0098(13) 0.0083(15) 0.0026(15) C17 0.044(2) 0.0230(14) 0.0255(13) -0.0035(11) -0.0015(13) -0.0026(14) C1I 0.041(2) 0.0220(14) 0.0384(16) 0.0079(12) -0.0171(15) -0.0019(14) C3 0.0271(17) 0.0187(14) 0.0446(17) 0.0014(13) -0.0027(14) 0.0001(13) C31 0.0373(19) 0.0428(19) 0.0254(13) 0.0024(13) -0.0021(14) 0.0042(16) C2K 0.049(2) 0.0263(16) 0.0356(16) 0.0070(13) -0.0050(16) 0.0021(16) C94 0.046(2) 0.0277(15) 0.0297(14) 0.0046(12) 0.0007(14) -0.0032(15) C88 0.0311(17) 0.0230(14) 0.0330(14) 0.0082(12) -0.0003(13) 0.0013(13) C5K 0.047(2) 0.0205(14) 0.0291(14) 0.0030(11) 0.0022(14) 0.0074(14) O9I 0.055(2) 0.118(4) 0.109(4) -0.071(3) 0.043(3) -0.044(3) C14 0.0388(18) 0.0165(12) 0.0265(13) 0.0007(11) 0.0006(13) -0.0037(12) C9 0.0200(15) 0.0169(13) 0.064(2) 0.0040(14) 0.0003(15) -0.0015(12) C90 0.0314(17) 0.0331(17) 0.0303(14) 0.0024(12) 0.0049(13) -0.0032(14) C47 0.053(2) 0.0352(17) 0.0303(15) -0.0021(13) 0.0085(16) 0.0065(17) C22 0.0339(19) 0.0209(15) 0.067(2) 0.0046(15) 0.0135(18) 0.0037(14) C0I 0.0343(19) 0.0275(16) 0.056(2) 0.0158(15) -0.0200(17) -0.0034(15) C30 0.048(2) 0.0385(18) 0.0288(14) -0.0013(13) 0.0014(15) -0.0001(17) C45 0.0296(17) 0.0270(15) 0.0366(15) -0.0075(13) 0.0019(13) -0.0019(13) C29 0.042(2) 0.0361(17) 0.0292(14) 0.0046(13) 0.0111(14) 0.0035(16) C40 0.055(2) 0.0235(14) 0.0277(14) -0.0044(11) -0.0008(15) 0.0065(15) C99 0.0284(17) 0.0289(15) 0.0489(18) 0.0148(14) -0.0016(15) -0.0017(14) C83 0.055(3) 0.0376(18) 0.0306(15) 0.0015(14) 0.0060(16) 0.0103(19) C46 0.038(2) 0.0273(15) 0.0450(18) -0.0037(14) 0.0153(16) -0.0043(15) C73 0.034(2) 0.052(2) 0.0449(19) -0.0229(18) 0.0087(16) -0.0054(18) O58 0.061(3) 0.071(3) 0.074(2) -0.005(2) -0.016(2) -0.001(2) C8 0.0288(18) 0.0208(15) 0.067(2) -0.0033(16) -0.0102(18) 0.0043(14) C3I 0.0324(19) 0.0419(19) 0.0408(17) 0.0111(15) -0.0040(15) 0.0005(16) C6 0.0301(18) 0.0163(13) 0.066(2) 0.0075(15) -0.0008(17) -0.0009(13) C87 0.042(2) 0.0207(14) 0.0448(17) 0.0054(13) -0.0036(16) -0.0006(14) C28 0.035(2) 0.054(2) 0.0333(16) 0.0042(16) 0.0033(15) 0.0078(18) C5M 0.047(2) 0.0244(14) 0.0315(14) -0.0007(12) -0.0009(15) 0.0037(15) C4M 0.041(2) 0.0279(16) 0.0369(15) 0.0023(13) -0.0006(15) 0.0013(15) C62 0.039(2) 0.0393(18) 0.0378(16) 0.0053(15) -0.0063(16) -0.0040(17) C6M 0.039(2) 0.0255(16) 0.057(2) -0.0013(15) -0.0078(18) 0.0052(15) C81 0.052(2) 0.0410(19) 0.0307(14) -0.0066(14) 0.0045(15) 0.0114(18) C4 0.0309(18) 0.0187(14) 0.0537(19) 0.0044(14) 0.0024(16) 0.0054(13) C5 0.032(2) 0.0296(17) 0.065(2) 0.0137(17) 0.0013(18) 0.0035(15) C48 0.0312(19) 0.058(2) 0.050(2) 0.024(2) -0.0008(17) 0.0019(19) C7 0.0288(18) 0.0178(14) 0.077(3) -0.0070(16) -0.0140(19) 0.0050(14) O57 0.071(3) 0.092(3) 0.0479(17) -0.0061(19) -0.0104(18) 0.014(2) C50 0.0238(18) 0.055(2) 0.058(2) -0.025(2) 0.0052(16) 0.0060(18) C80 0.037(2) 0.047(2) 0.0318(15) -0.0118(15) 0.0016(15) 0.0021(17) C82 0.046(2) 0.049(2) 0.0309(15) -0.0059(15) 0.0031(15) 0.0080(19) C4K 0.084(4) 0.0287(17) 0.0285(15) -0.0004(13) -0.0071(19) 0.023(2) C5I 0.060(3) 0.041(2) 0.046(2) -0.0046(17) -0.003(2) -0.004(2) C38 0.042(2) 0.0189(15) 0.099(4) 0.014(2) 0.005(2) 0.0072(15) C36 0.048(2) 0.042(2) 0.057(2) 0.0048(18) 0.022(2) 0.006(2) C2P 0.074(3) 0.048(2) 0.0327(17) 0.0046(16) -0.0027(19) 0.009(2) C72 0.049(2) 0.048(2) 0.056(2) -0.026(2) 0.024(2) -0.012(2) C92 0.051(3) 0.040(2) 0.063(2) -0.025(2) 0.023(2) -0.021(2) C4I 0.026(2) 0.0286(19) 0.042(2) 0.0219(17) 0.0027(17) 0.0057(16) C0K 0.064(3) 0.051(2) 0.051(2) -0.009(2) 0.006(2) 0.023(2) C74 0.045(2) 0.042(2) 0.065(3) -0.031(2) 0.026(2) -0.0194(19) C54 0.026(2) 0.107(5) 0.077(3) -0.050(4) 0.007(2) -0.002(3) C1P 0.071(3) 0.0273(18) 0.053(2) -0.0117(16) 0.021(2) -0.007(2) C79 0.040(2) 0.068(3) 0.052(2) -0.037(2) 0.020(2) -0.019(2) C6I 0.032(2) 0.062(3) 0.073(3) 0.029(2) 0.009(2) 0.018(2) C52 0.037(2) 0.113(5) 0.043(2) -0.025(3) -0.0108(19) 0.025(3) C32 0.029(2) 0.125(5) 0.041(2) -0.004(3) 0.0061(17) 0.003(3) C76 0.085(5) 0.059(3) 0.134(6) -0.064(4) 0.077(5) -0.039(4) C77 0.065(4) 0.124(6) 0.094(4) -0.078(5) 0.044(4) -0.059(5) C78 0.042(3) 0.097(4) 0.074(3) -0.054(3) 0.027(3) -0.023(3) C59 0.027(2) 0.261(16) 0.241(14) 0.202(14) -0.024(4) -0.011(5) C55 0.030(2) 0.072(3) 0.093(4) -0.031(3) 0.004(2) -0.002(2) C8K 0.145(7) 0.040(2) 0.047(2) -0.0146(19) -0.028(3) 0.047(3) C53 0.042(3) 0.080(4) 0.060(3) -0.016(3) -0.010(2) 0.013(3) C9M 0.047(3) 0.049(3) 0.114(5) -0.009(3) -0.006(3) -0.013(2) C56 0.062(4) 0.232(12) 0.036(2) 0.030(4) 0.008(2) 0.058(6) C61 0.070(4) 0.065(4) 0.143(7) 0.029(4) 0.049(5) -0.012(3) C35 0.056(3) 0.130(7) 0.069(3) -0.041(4) 0.023(3) -0.041(4) C75 0.089(5) 0.042(2) 0.126(5) -0.046(3) 0.073(5) -0.033(3) C33 0.037(3) 0.143(7) 0.056(3) -0.001(4) -0.004(2) 0.016(3) C8I 0.119(7) 0.063(4) 0.226(12) -0.083(6) 0.129(8) -0.062(5) C34 0.071(5) 0.087(5) 0.061(4) 0.012(4) -0.012(4) 0.026(4) 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' O O 0.0492 0.0322 '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 C42 O41 C14 112.7(3) . . C22 O21 C20 117.6(3) . . C25 O26 C18 112.5(2) . . C95 O96 C88 114.5(3) . . C95 O97 C98 115.0(3) . . C42 O43 C44 115.4(3) . . C2K O1K C84 113.6(3) . . C0M O1M C2M 114.6(3) . . C6K O0P C1P 113.5(3) . . C0M O9K C5K 113.9(3) . . C25 O27 C28 114.3(3) . . C50 O49 C45 113.7(3) . . C92 O91 C90 119.5(3) . . C8 O1 C2 108.9(3) . . C3M O7M H7M 109.5 . . C2K O3K C4K 113.9(3) . . C9 O37 H37 109.5 . . C7 O39 H39 109.5 . . C78 O71 C72 107.0(4) . . C9M O8M C4M 114.8(4) . . C61 O60 C46 113.6(4) . . C50 O51 C52 117.3(4) . . O1M C0M O9K 111.6(3) . . O1M C0M C5M 111.0(3) . . O9K C0M C5M 108.8(3) . . O1M C0M H0M 108.5 . . O9K C0M H0M 108.5 . . C5M C0M H0M 108.5 . . C12 C11 C10 123.3(3) . . C12 C11 H11 118.4 . . C10 C11 H11 118.4 . . O27 C25 O26 111.2(3) . . O27 C25 C31 110.4(3) . . O26 C25 C31 107.8(3) . . O27 C25 C24 105.5(3) . . O26 C25 C24 111.5(3) . . C31 C25 C24 110.4(3) . . O26 C18 C17 107.3(3) . . O26 C18 C19 110.3(3) . . C17 C18 C19 112.4(3) . . O26 C18 H18 108.9 . . C17 C18 H18 108.9 . . C19 C18 H18 108.9 . . O41 C42 O43 111.3(3) . . O41 C42 C47 108.5(3) . . O43 C42 C47 110.9(3) . . O41 C42 H42 108.7 . . O43 C42 H42 108.7 . . C47 C42 H42 108.7 . . O0P C6K C5K 107.8(2) . . O0P C6K C7K 111.1(3) . . C5K C6K C7K 109.9(3) . . O0P C6K H6K 109.3 . . C5K C6K H6K 109.3 . . C7K C6K H6K 109.3 . . O97 C95 O96 110.5(2) . . O97 C95 C94 106.7(3) . . O96 C95 C94 111.2(3) . . O97 C95 C1I 111.5(3) . . O96 C95 C1I 106.6(3) . . C94 C95 C1I 110.5(3) . . C16 C15 C14 121.2(3) . . C16 C15 C62 124.7(3) . . C14 C15 C62 114.1(3) . . O7M C3M C4M 108.7(3) . . O7M C3M C2M 110.9(3) . . C4M C3M C2M 109.9(3) . . O7M C3M H3M 109.1 . . C4M C3M H3M 109.1 . . C2M C3M H3M 109.1 . . O43 C44 C48 106.2(3) . . O43 C44 C45 107.9(3) . . C48 C44 C45 112.8(3) . . O43 C44 H44 110.0 . . C48 C44 H44 110.0 . . C45 C44 H44 110.0 . . O1M C2M C6M 106.3(3) . . O1M C2M C3M 111.2(3) . . C6M C2M C3M 113.2(3) . . O1M C2M H2M 108.7 . . C6M C2M H2M 108.7 . . C3M C2M H2M 108.7 . . C20 C19 C18 109.6(3) . . C20 C19 H19A 109.7 . . C18 C19 H19A 109.7 . . C20 C19 H19B 109.7 . . C18 C19 H19B 109.7 . . H19A C19 H19B 108.2 . . O21 C20 C19 104.9(3) . . O21 C20 C24 110.3(3) . . C19 C20 C24 110.7(3) . . O21 C20 H20 110.3 . . C19 C20 H20 110.3 . . C24 C20 H20 110.2 . . C15 C16 C17 128.5(4) . . C15 C16 H16 115.8 . . C17 C16 H16 115.8 . . C3 C10 C11 124.7(3) . . C3 C10 H10 117.7 . . C11 C10 H10 117.6 . . C12 C13 C40 110.7(3) . . C12 C13 C14 112.1(3) . . C40 C13 C14 109.6(3) . . C12 C13 H13 108.1 . . C40 C13 H13 108.1 . . C14 C13 H13 108.1 . . C11 C12 C13 123.8(3) . . C11 C12 H12 118.1 . . C13 C12 H12 118.1 . . C20 C24 C25 109.2(3) . . C20 C24 H24A 109.8 . . C25 C24 H24A 109.8 . . C20 C24 H24B 109.8 . . C25 C24 H24B 109.8 . . H24A C24 H24B 108.3 . . C2K C7K C6K 112.0(3) . . C2K C7K H7KA 109.2 . . C6K C7K H7KA 109.2 . . C2K C7K H7KB 109.2 . . C6K C7K H7KB 109.2 . . H7KA C7K H7KB 107.9 . . O97 C98 C2I 106.2(3) . . O97 C98 C99 109.2(3) . . C2I C98 C99 115.3(3) . . O97 C98 H98 108.6 . . C2I C98 H98 108.6 . . C99 C98 H98 108.6 . . C5I C2I C98 113.1(3) . . C5I C2I C3I 109.9(3) . . C98 C2I C3I 112.1(3) . . C5I C2I H2I 107.1 . . C98 C2I H2I 107.1 . . C3I C2I H2I 107.1 . . C86 C85 C2P 124.3(4) . . C86 C85 C84 121.6(3) . . C2P C85 C84 114.1(4) . . O1 C2 C3 106.2(3) . . O1 C2 H2A 110.5 . . C3 C2 H2A 110.5 . . O1 C2 H2B 110.5 . . C3 C2 H2B 110.5 . . H2A C2 H2B 108.7 . . C85 C86 C87 127.1(3) . . C85 C86 H86 116.4 . . C87 C86 H86 116.4 . . O1K C84 C85 112.6(3) . . O1K C84 C83 108.6(3) . . C85 C84 C83 111.3(3) . . O1K C84 H84 108.1 . . C85 C84 H84 108.1 . . C83 C84 H84 108.1 . . C90 C89 C88 110.9(3) . . C90 C89 H89A 109.4 . . C88 C89 H89A 109.4 . . C90 C89 H89B 109.5 . . C88 C89 H89B 109.5 . . H89A C89 H89B 108.0 . . C18 C17 C16 109.5(3) . . C18 C17 H17A 109.8 . . C16 C17 H17A 109.8 . . C18 C17 H17B 109.8 . . C16 C17 H17B 109.8 . . H17A C17 H17B 108.2 . . C0I C1I C95 113.4(3) . . C0I C1I H1IA 108.9 . . C95 C1I H1IA 108.9 . . C0I C1I H1IB 108.9 . . C95 C1I H1IB 108.9 . . H1IA C1I H1IB 107.7 . . C10 C3 C2 128.0(3) . . C10 C3 C9 126.0(3) . . C2 C3 C9 106.0(3) . . C30 C31 C25 113.3(3) . . C30 C31 H31A 108.9 . . C25 C31 H31A 108.9 . . C30 C31 H31B 108.9 . . C25 C31 H31B 108.9 . . H31A C31 H31B 107.7 . . O3K C2K O1K 112.0(4) . . O3K C2K C7K 111.3(3) . . O1K C2K C7K 108.8(3) . . O3K C2K H2K 108.2 . . O1K C2K H2K 108.2 . . C7K C2K H2K 108.2 . . C90 C94 C95 111.3(3) . . C90 C94 H94A 109.4 . . C95 C94 H94A 109.4 . . C90 C94 H94B 109.4 . . C95 C94 H94B 109.4 . . H94A C94 H94B 108.0 . . O96 C88 C87 106.6(3) . . O96 C88 C89 110.6(3) . . C87 C88 C89 111.7(3) . . O96 C88 H88 109.3 . . C87 C88 H88 109.3 . . C89 C88 H88 109.3 . . O9K C5K C6K 109.8(3) . . O9K C5K C4K 107.7(3) . . C6K C5K C4K 109.4(3) . . O9K C5K H5K 110.0 . . C6K C5K H5K 110.0 . . C4K C5K H5K 110.0 . . C77 O9I H9I 109.5 . . O41 C14 C15 112.2(3) . . O41 C14 C13 106.9(3) . . C15 C14 C13 112.1(3) . . O41 C14 H14 108.5 . . C15 C14 H14 108.5 . . C13 C14 H14 108.5 . . O37 C9 C3 114.0(3) . . O37 C9 C8 109.2(3) . . C3 C9 C8 100.7(3) . . O37 C9 C4 114.3(4) . . C3 C9 C4 107.7(3) . . C8 C9 C4 110.0(3) . . O91 C90 C94 111.8(3) . . O91 C90 C89 105.0(3) . . C94 C90 C89 110.2(3) . . O91 C90 H90 109.9 . . C94 C90 H90 109.9 . . C89 C90 H90 109.9 . . C46 C47 C42 112.5(3) . . C46 C47 H47A 109.1 . . C42 C47 H47A 109.1 . . C46 C47 H47B 109.1 . . C42 C47 H47B 109.1 . . H47A C47 H47B 107.8 . . O23 C22 O21 125.1(4) . . O23 C22 C4 121.8(4) . . O21 C22 C4 112.8(3) . . C1I C0I C99 110.7(3) . . C1I C0I H0IA 109.5 . . C99 C0I H0IA 109.5 . . C1I C0I H0IB 109.5 . . C99 C0I H0IB 109.5 . . H0IA C0I H0IB 108.1 . . C29 C30 C31 112.5(3) . . C29 C30 H30A 109.1 . . C31 C30 H30A 109.1 . . C29 C30 H30B 109.1 . . C31 C30 H30B 109.1 . . H30A C30 H30B 107.8 . . O49 C45 C46 109.4(3) . . O49 C45 C44 109.1(3) . . C46 C45 C44 109.8(3) . . O49 C45 H45 109.5 . . C46 C45 H45 109.5 . . C44 C45 H45 109.5 . . C30 C29 C36 110.4(4) . . C30 C29 C28 107.3(3) . . C36 C29 C28 113.0(4) . . C30 C29 H29 108.7 . . C36 C29 H29 108.7 . . C28 C29 H29 108.7 . . C13 C40 H40A 109.5 . . C13 C40 H40B 109.5 . . H40A C40 H40B 109.5 . . C13 C40 H40C 109.5 . . H40A C40 H40C 109.5 . . H40B C40 H40C 109.5 . . C6I C99 C98 113.0(3) . . C6I C99 C0I 110.1(4) . . C98 C99 C0I 107.2(3) . . C6I C99 H99 108.8 . . C98 C99 H99 108.8 . . C0I C99 H99 108.8 . . C82 C83 C0K 112.4(4) . . C82 C83 C84 110.7(3) . . C0K C83 C84 111.5(4) . . C82 C83 H83 107.4 . . C0K C83 H83 107.4 . . C84 C83 H83 107.3 . . O60 C46 C45 107.3(3) . . O60 C46 C47 111.0(3) . . C45 C46 C47 108.9(3) . . O60 C46 H46 109.8 . . C45 C46 H46 109.8 . . C47 C46 H46 109.9 . . C80 C73 C72 129.3(4) . . C80 C73 C79 125.1(4) . . C72 C73 C79 105.3(4) . . C59 O58 C54 114.9(7) . . O1 C8 C9 104.2(3) . . O1 C8 C7 110.1(3) . . C9 C8 C7 116.8(4) . . O1 C8 H8 108.5 . . C9 C8 H8 108.5 . . C7 C8 H8 108.5 . . C4I C3I C2I 114.8(3) . . C4I C3I H3I1 16.1 . . C2I C3I H3I1 109.0 . . C4I C3I H3I2 118.5 . . C2I C3I H3I2 109.8 . . H3I1 C3I H3I2 109.8 . . C4I C3I H3I3 92.9 . . C2I C3I H3I3 109.3 . . H3I1 C3I H3I3 109.0 . . H3I2 C3I H3I3 109.9 . . C5 C6 C38 121.7(5) . . C5 C6 C7 122.8(4) . . C38 C6 C7 115.5(4) . . C86 C87 C88 112.2(3) . . C86 C87 H87A 109.2 . . C88 C87 H87A 109.2 . . C86 C87 H87B 109.2 . . C88 C87 H87B 109.2 . . H87A C87 H87B 107.9 . . O27 C28 C32 107.6(4) . . O27 C28 C29 109.4(3) . . C32 C28 C29 116.8(4) . . O27 C28 H28 107.6 . . C32 C28 H28 107.6 . . C29 C28 H28 107.6 . . C4M C5M C0M 112.9(3) . . C4M C5M H5MA 109.0 . . C0M C5M H5MA 109.0 . . C4M C5M H5MB 109.0 . . C0M C5M H5MB 109.0 . . H5MA C5M H5MB 107.8 . . O8M C4M C3M 107.8(3) . . O8M C4M C5M 109.8(3) . . C3M C4M C5M 110.8(3) . . O8M C4M H4M 109.5 . . C3M C4M H4M 109.5 . . C5M C4M H4M 109.5 . . C15 C62 H62A 109.5 . . C15 C62 H62B 109.5 . . H62A C62 H62B 109.5 . . C15 C62 H62C 109.5 . . H62A C62 H62C 109.5 . . H62B C62 H62C 109.5 . . C2M C6M H6MA 109.5 . . C2M C6M H6MB 109.5 . . H6MA C6M H6MB 109.5 . . C2M C6M H6MC 109.5 . . H6MA C6M H6MC 109.5 . . H6MB C6M H6MC 109.5 . . C82 C81 C80 123.5(3) . . C82 C81 H81 118.2 . . C80 C81 H81 118.2 . . C22 C4 C5 113.4(3) . . C22 C4 C9 107.6(3) . . C5 C4 C9 113.4(3) . . C22 C4 H4 107.4 . . C5 C4 H4 107.4 . . C9 C4 H4 107.4 . . C6 C5 C4 122.8(4) . . C6 C5 H5 118.6 . . C4 C5 H5 118.6 . . C44 C48 H48A 109.5 . . C44 C48 H48B 109.5 . . H48A C48 H48B 109.5 . . C44 C48 H48C 109.5 . . H48A C48 H48C 109.5 . . H48B C48 H48C 109.5 . . O39 C7 C6 112.0(3) . . O39 C7 C8 109.8(4) . . C6 C7 C8 115.3(3) . . O39 C7 H7 106.4 . . C6 C7 H7 106.4 . . C8 C7 H7 106.4 . . C53 O57 H57 95.2 . . O51 C50 O49 111.6(4) . . O51 C50 C55 108.9(5) . . O49 C50 C55 109.9(4) . . O51 C50 H50 108.8 . . O49 C50 H50 108.8 . . C55 C50 H50 108.8 . . C73 C80 C81 125.8(3) . . C73 C80 H80 117.1 . . C81 C80 H80 117.1 . . C81 C82 C83 126.1(4) . . C81 C82 H82 117.0 . . C83 C82 H82 117.0 . . O3K C4K C8K 105.6(4) . . O3K C4K C5K 110.7(4) . . C8K C4K C5K 112.6(3) . . O3K C4K H4K 109.3 . . C8K C4K H4K 109.3 . . C5K C4K H4K 109.3 . . C2I C5I H5IA 109.5 . . C2I C5I H5IB 109.5 . . H5IA C5I H5IB 109.5 . . C2I C5I H5IC 109.5 . . H5IA C5I H5IC 109.5 . . H5IB C5I H5IC 109.5 . . C6 C38 H38A 109.5 . . C6 C38 H38B 109.5 . . H38A C38 H38B 109.5 . . C6 C38 H38C 109.5 . . H38A C38 H38C 109.5 . . H38B C38 H38C 109.5 . . C29 C36 H36A 109.5 . . C29 C36 H36B 109.5 . . H36A C36 H36B 109.5 . . C29 C36 H36C 109.5 . . H36A C36 H36C 109.5 . . H36B C36 H36C 109.5 . . C85 C2P H2PA 109.5 . . C85 C2P H2PB 109.5 . . H2PA C2P H2PB 109.5 . . C85 C2P H2PC 109.5 . . H2PA C2P H2PC 109.5 . . H2PB C2P H2PC 109.5 . . O71 C72 C73 105.3(3) . . O71 C72 H72A 110.7 . . C73 C72 H72A 110.7 . . O71 C72 H72B 110.7 . . C73 C72 H72B 110.7 . . H72A C72 H72B 108.8 . . O93 C92 O91 124.9(4) . . O93 C92 C74 125.5(4) . . O91 C92 C74 109.5(3) . . C3I C4I H3I1 23.9 . . C3I C4I H4IA 109.5 . . H3I1 C4I H4IA 115.0 . . C3I C4I H4IB 109.5 . . H3I1 C4I H4IB 124.1 . . H4IA C4I H4IB 109.5 . . C3I C4I H4IC 109.5 . . H3I1 C4I H4IC 86.0 . . H4IA C4I H4IC 109.5 . . H4IB C4I H4IC 109.5 . . C83 C0K H0KA 109.5 . . C83 C0K H0KB 109.5 . . H0KA C0K H0KB 109.5 . . C83 C0K H0KC 109.5 . . H0KA C0K H0KC 109.5 . . H0KB C0K H0KC 109.5 . . C75 C74 C92 114.2(4) . . C75 C74 C79 114.7(5) . . C92 C74 C79 107.1(4) . . C75 C74 H74 106.8 . . C92 C74 H74 106.8 . . C79 C74 H74 106.8 . . C53 C54 O58 113.8(6) . . C53 C54 C55 115.4(5) . . O58 C54 C55 108.1(5) . . C53 C54 H54 106.3 . . O58 C54 H54 106.3 . . C55 C54 H54 106.3 . . O0P C1P H1PA 109.5 . . O0P C1P H1PB 109.5 . . H1PA C1P H1PB 109.5 . . O0P C1P H1PC 109.5 . . H1PA C1P H1PC 109.5 . . H1PB C1P H1PC 109.5 . . O7I C79 C73 114.4(5) . . O7I C79 C78 112.0(4) . . C73 C79 C78 98.6(4) . . O7I C79 C74 109.4(4) . . C73 C79 C74 111.1(4) . . C78 C79 C74 111.0(5) . . C99 C6I H6IA 109.5 . . C99 C6I H6IB 109.5 . . H6IA C6I H6IB 109.5 . . C99 C6I H6IC 109.5 . . H6IA C6I H6IC 109.5 . . H6IB C6I H6IC 109.5 . . C56 C52 O51 111.8(6) . . C56 C52 C53 111.4(5) . . O51 C52 C53 109.4(5) . . C56 C52 H52 108.0 . . O51 C52 H52 108.0 . . C53 C52 H52 108.0 . . C28 C32 C33 111.9(5) . . C28 C32 C35 109.9(6) . . C33 C32 C35 114.2(6) . . C28 C32 H32 106.8 . . C33 C32 H32 106.8 . . C35 C32 H32 106.8 . . C75 C76 C77 120.8(7) . . C75 C76 C8I 122.5(10) . . C77 C76 C8I 116.5(8) . . O9I C77 C76 116.1(8) . . O9I C77 C78 109.2(7) . . C76 C77 C78 115.7(6) . . O9I C77 H77 104.8 . . C76 C77 H77 104.8 . . C78 C77 H77 104.8 . . O71 C78 C77 109.0(6) . . O71 C78 C79 102.1(4) . . C77 C78 C79 115.2(6) . . O71 C78 H78 110.1 . . C77 C78 H78 110.1 . . C79 C78 H78 110.1 . . O58 C59 H59A 110.4 . . O58 C59 H59B 110.1 . . H59A C59 H59B 108.7 . . O58 C59 H59C 110.1 . . H59A C59 H59C 108.7 . . H59B C59 H59C 108.7 . . C50 C55 C54 110.8(5) . . C50 C55 H55A 109.5 . . C54 C55 H55A 109.5 . . C50 C55 H55B 109.5 . . C54 C55 H55B 109.5 . . H55A C55 H55B 108.1 . . C4K C8K H8KA 109.4 . . C4K C8K H8KB 109.5 . . H8KA C8K H8KB 109.5 . . C4K C8K H8KC 109.5 . . H8KA C8K H8KC 109.5 . . H8KB C8K H8KC 109.5 . . C54 C53 O57 114.8(5) . . C54 C53 C52 110.9(5) . . O57 C53 C52 110.3(5) . . C54 C53 H53 106.8 . . O57 C53 H53 106.8 . . C52 C53 H53 106.8 . . O8M C9M H9MA 109.5 . . O8M C9M H9MB 109.5 . . H9MA C9M H9MB 109.5 . . O8M C9M H9MC 109.5 . . H9MA C9M H9MC 109.5 . . H9MB C9M H9MC 109.5 . . C52 C56 H56A 109.5 . . C52 C56 H56B 109.5 . . H56A C56 H56B 109.5 . . C52 C56 H56C 109.5 . . H56A C56 H56C 109.5 . . H56B C56 H56C 109.5 . . O60 C61 H61A 109.5 . . O60 C61 H61B 109.4 . . H61A C61 H61B 109.5 . . O60 C61 H61C 109.5 . . H61A C61 H61C 109.5 . . H61B C61 H61C 109.5 . . C32 C35 H35A 109.5 . . C32 C35 H35B 109.5 . . H35A C35 H35B 109.5 . . C32 C35 H35C 109.5 . . H35A C35 H35C 109.5 . . H35B C35 H35C 109.5 . . C76 C75 C74 125.0(8) . . C76 C75 H75A 106.1 . . C74 C75 H75A 106.1 . . C76 C75 H75B 106.1 . . C74 C75 H75B 106.1 . . H75A C75 H75B 106.3 . . C34 C33 C32 114.3(6) . . C34 C33 H33A 104.4 . . C32 C33 H33A 110.9 . . C34 C33 H33B 5.1 . . C32 C33 H33B 109.2 . . H33A C33 H33B 107.6 . . C34 C33 H33C 106.0 . . C32 C33 H33C 110.9 . . H33A C33 H33C 110.2 . . H33B C33 H33C 108.0 . . C76 C8I H8IA 109.4 . . C76 C8I H8IB 109.5 . . H8IA C8I H8IB 109.5 . . C76 C8I H8IC 109.5 . . H8IA C8I H8IC 109.5 . . H8IB C8I H8IC 109.5 . . C33 C34 H33B 8.8 . . C33 C34 H34A 109.5 . . H33B C34 H34A 103.1 . . C33 C34 H34B 109.5 . . H33B C34 H34B 107.0 . . H34A C34 H34B 109.5 . . C33 C34 H34C 109.5 . . H33B C34 H34C 117.9 . . H34A C34 H34C 109.5 . . H34B C34 H34C 109.5 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 O41 C42 1.407(4) . O41 C14 1.428(5) . O21 C22 1.309(5) . O21 C20 1.455(4) . O26 C25 1.418(4) . O26 C18 1.439(3) . O96 C95 1.424(4) . O96 C88 1.429(4) . O97 C95 1.413(4) . O97 C98 1.444(4) . O43 C42 1.427(4) . O43 C44 1.454(4) . O1K C2K 1.414(5) . O1K C84 1.436(4) . O1M C0M 1.411(4) . O1M C2M 1.430(4) . O0P C6K 1.419(4) . O0P C1P 1.422(4) . O9K C0M 1.422(4) . O9K C5K 1.427(5) . O27 C25 1.415(5) . O27 C28 1.447(5) . O49 C50 1.419(5) . O49 C45 1.432(5) . O91 C92 1.340(5) . O91 C90 1.448(4) . O1 C8 1.428(5) . O1 C2 1.446(4) . O7M C3M 1.425(5) . O7M H7M 0.8200 . O3K C2K 1.415(4) . O3K C4K 1.439(6) . O37 C9 1.407(4) . O37 H37 0.8200 . O39 C7 1.418(5) . O39 H39 0.8200 . O71 C78 1.447(6) . O71 C72 1.460(6) . O8M C9M 1.407(6) . O8M C4M 1.454(5) . O60 C61 1.409(7) . O60 C46 1.427(5) . O51 C50 1.419(7) . O51 C52 1.448(5) . C0M C5M 1.519(6) . C0M H0M 0.9800 . O7I C79 1.403(5) . C11 C12 1.346(5) . C11 C10 1.453(4) . C11 H11 0.9300 . C25 C31 1.530(4) . C25 C24 1.530(5) . C18 C17 1.514(5) . C18 C19 1.525(5) . C18 H18 0.9800 . C42 C47 1.530(6) . C42 H42 0.9800 . C6K C5K 1.518(4) . C6K C7K 1.528(6) . C6K H6K 0.9800 . O93 C92 1.201(6) . C95 C94 1.522(5) . C95 C1I 1.525(5) . C15 C16 1.325(5) . C15 C14 1.517(4) . C15 C62 1.518(6) . C3M C4M 1.506(5) . C3M C2M 1.518(5) . C3M H3M 0.9800 . O23 C22 1.208(6) . C44 C48 1.511(5) . C44 C45 1.520(5) . C44 H44 0.9800 . C2M C6M 1.512(5) . C2M H2M 0.9800 . C19 C20 1.513(4) . C19 H19A 0.9700 . C19 H19B 0.9700 . C20 C24 1.522(4) . C20 H20 0.9800 . C16 C17 1.518(4) . C16 H16 0.9300 . C10 C3 1.346(5) . C10 H10 0.9300 . C13 C12 1.509(4) . C13 C40 1.526(4) . C13 C14 1.546(4) . C13 H13 0.9800 . C12 H12 0.9300 . C24 H24A 0.9700 . C24 H24B 0.9700 . C7K C2K 1.515(5) . C7K H7KA 0.9700 . C7K H7KB 0.9700 . C98 C2I 1.527(5) . C98 C99 1.529(5) . C98 H98 0.9800 . C2I C5I 1.522(6) . C2I C3I 1.544(5) . C2I H2I 0.9800 . C85 C86 1.337(6) . C85 C2P 1.494(5) . C85 C84 1.509(6) . C2 C3 1.498(5) . C2 H2A 0.9700 . C2 H2B 0.9700 . C86 C87 1.516(5) . C86 H86 0.9300 . C84 C83 1.547(7) . C84 H84 0.9800 . C89 C90 1.519(5) . C89 C88 1.523(5) . C89 H89A 0.9700 . C89 H89B 0.9700 . C17 H17A 0.9700 . C17 H17B 0.9700 . C1I C0I 1.514(7) . C1I H1IA 0.9700 . C1I H1IB 0.9700 . C3 C9 1.521(5) . C31 C30 1.519(6) . C31 H31A 0.9700 . C31 H31B 0.9700 . C2K H2K 0.9800 . C94 C90 1.514(6) . C94 H94A 0.9700 . C94 H94B 0.9700 . C88 C87 1.515(5) . C88 H88 0.9800 . C5K C4K 1.535(5) . C5K H5K 0.9800 . O9I C77 1.438(7) . O9I H9I 0.8200 . C14 H14 0.9800 . C9 C8 1.534(5) . C9 C4 1.571(6) . C90 H90 0.9800 . C47 C46 1.520(6) . C47 H47A 0.9700 . C47 H47B 0.9700 . C22 C4 1.494(5) . C0I C99 1.537(6) . C0I H0IA 0.9700 . C0I H0IB 0.9700 . C30 C29 1.518(6) . C30 H30A 0.9700 . C30 H30B 0.9700 . C45 C46 1.506(5) . C45 H45 0.9800 . C29 C36 1.520(6) . C29 C28 1.525(5) . C29 H29 0.9800 . C40 H40A 0.9600 . C40 H40B 0.9600 . C40 H40C 0.9600 . C99 C6I 1.528(6) . C99 H99 0.9800 . C83 C82 1.485(6) . C83 C0K 1.539(6) . C83 H83 0.9800 . C46 H46 0.9800 . C73 C80 1.319(7) . C73 C72 1.510(5) . C73 C79 1.533(7) . O58 C59 1.350(11) . O58 C54 1.430(7) . C8 C7 1.537(5) . C8 H8 0.9800 . C3I C4I 1.529(6) . C3I H3I1 0.9635 . C3I H3I2 0.9526 . C3I H3I3 0.9623 . C6 C5 1.330(6) . C6 C38 1.508(5) . C6 C7 1.520(7) . C87 H87A 0.9700 . C87 H87B 0.9700 . C28 C32 1.520(7) . C28 H28 0.9800 . C5M C4M 1.513(6) . C5M H5MA 0.9700 . C5M H5MB 0.9700 . C4M H4M 0.9800 . C62 H62A 0.9600 . C62 H62B 0.9600 . C62 H62C 0.9600 . C6M H6MA 0.9600 . C6M H6MB 0.9600 . C6M H6MC 0.9600 . C81 C82 1.334(7) . C81 C80 1.456(6) . C81 H81 0.9300 . C4 C5 1.504(5) . C4 H4 0.9800 . C5 H5 0.9300 . C48 H48A 0.9600 . C48 H48B 0.9600 . C48 H48C 0.9600 . C7 H7 0.9800 . O57 C53 1.413(7) . O57 H57 0.9561 . C50 C55 1.530(7) . C50 H50 0.9800 . C80 H80 0.9300 . C82 H82 0.9300 . C4K C8K 1.530(6) . C4K H4K 0.9800 . C5I H5IA 0.9600 . C5I H5IB 0.9600 . C5I H5IC 0.9600 . C38 H38A 0.9600 . C38 H38B 0.9600 . C38 H38C 0.9600 . C36 H36A 0.9600 . C36 H36B 0.9600 . C36 H36C 0.9600 . C2P H2PA 0.9600 . C2P H2PB 0.9600 . C2P H2PC 0.9600 . C72 H72A 0.9700 . C72 H72B 0.9700 . C92 C74 1.518(6) . C4I H3I1 0.6606 . C4I H4IA 0.9600 . C4I H4IB 0.9600 . C4I H4IC 0.9600 . C0K H0KA 0.9600 . C0K H0KB 0.9600 . C0K H0KC 0.9600 . C74 C75 1.506(7) . C74 C79 1.548(9) . C74 H74 0.9800 . C54 C53 1.374(11) . C54 C55 1.607(9) . C54 H54 0.9800 . C1P H1PA 0.9600 . C1P H1PB 0.9600 . C1P H1PC 0.9600 . C79 C78 1.536(6) . C6I H6IA 0.9600 . C6I H6IB 0.9600 . C6I H6IC 0.9600 . C52 C56 1.405(14) . C52 C53 1.494(9) . C52 H52 0.9800 . C32 C33 1.566(9) . C32 C35 1.570(12) . C32 H32 0.9800 . C76 C75 1.330(10) . C76 C77 1.481(15) . C76 C8I 1.492(10) . C77 C78 1.519(11) . C77 H77 0.9800 . C78 H78 0.9800 . C59 H59A 0.9667 . C59 H59B 0.9665 . C59 H59C 0.9665 . C55 H55A 0.9700 . C55 H55B 0.9700 . C8K H8KA 0.9600 . C8K H8KB 0.9600 . C8K H8KC 0.9600 . C53 H53 0.9800 . C9M H9MA 0.9600 . C9M H9MB 0.9600 . C9M H9MC 0.9600 . C56 H56A 0.9600 . C56 H56B 0.9600 . C56 H56C 0.9600 . C61 H61A 0.9600 . C61 H61B 0.9600 . C61 H61C 0.9600 . C35 H35A 0.9600 . C35 H35B 0.9600 . C35 H35C 0.9600 . C75 H75A 0.9700 . C75 H75B 0.9700 . C33 C34 1.545(14) . C33 H33A 0.9584 . C33 H33B 0.9842 . C33 H33C 0.9535 . C8I H8IA 0.9600 . C8I H8IB 0.9600 . C8I H8IC 0.9600 . C34 H33B 0.5713 . C34 H34A 0.9600 . C34 H34B 0.9600 . C34 H34C 0.9600 . 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 C2M O1M C0M O9K -66.2(4) . . . . C2M O1M C0M C5M 55.4(4) . . . . C5K O9K C0M O1M -86.2(4) . . . . C5K O9K C0M C5M 151.0(3) . . . . C28 O27 C25 O26 63.4(3) . . . . C28 O27 C25 C31 -56.3(4) . . . . C28 O27 C25 C24 -175.6(3) . . . . C18 O26 C25 O27 57.4(4) . . . . C18 O26 C25 C31 178.5(3) . . . . C18 O26 C25 C24 -60.1(4) . . . . C25 O26 C18 C17 -176.8(3) . . . . C25 O26 C18 C19 60.4(4) . . . . C14 O41 C42 O43 -81.8(3) . . . . C14 O41 C42 C47 155.9(3) . . . . C44 O43 C42 O41 -66.8(4) . . . . C44 O43 C42 C47 54.0(4) . . . . C1P O0P C6K C5K -150.5(4) . . . . C1P O0P C6K C7K 89.0(4) . . . . C98 O97 C95 O96 64.6(4) . . . . C98 O97 C95 C94 -174.5(3) . . . . C98 O97 C95 C1I -53.7(4) . . . . C88 O96 C95 O97 60.9(4) . . . . C88 O96 C95 C94 -57.3(4) . . . . C88 O96 C95 C1I -177.8(3) . . . . C42 O43 C44 C48 178.9(3) . . . . C42 O43 C44 C45 -60.0(4) . . . . C0M O1M C2M C6M 177.1(3) . . . . C0M O1M C2M C3M -59.2(4) . . . . O7M C3M C2M O1M 176.3(3) . . . . C4M C3M C2M O1M 56.0(4) . . . . O7M C3M C2M C6M -64.1(4) . . . . C4M C3M C2M C6M 175.6(3) . . . . O26 C18 C19 C20 -57.0(4) . . . . C17 C18 C19 C20 -176.7(3) . . . . C22 O21 C20 C19 146.6(3) . . . . C22 O21 C20 C24 -94.1(4) . . . . C18 C19 C20 O21 173.9(3) . . . . C18 C19 C20 C24 54.8(4) . . . . C14 C15 C16 C17 -177.2(3) . . . . C62 C15 C16 C17 0.8(5) . . . . C12 C11 C10 C3 -175.9(3) . . . . C10 C11 C12 C13 178.7(3) . . . . C40 C13 C12 C11 -102.8(4) . . . . C14 C13 C12 C11 134.4(3) . . . . O21 C20 C24 C25 -169.4(3) . . . . C19 C20 C24 C25 -53.6(4) . . . . O27 C25 C24 C20 -65.1(4) . . . . O26 C25 C24 C20 55.7(4) . . . . C31 C25 C24 C20 175.6(3) . . . . O0P C6K C7K C2K 171.5(3) . . . . C5K C6K C7K C2K 52.3(4) . . . . C95 O97 C98 C2I -172.3(3) . . . . C95 O97 C98 C99 62.8(4) . . . . O97 C98 C2I C5I -59.5(4) . . . . C99 C98 C2I C5I 61.6(4) . . . . O97 C98 C2I C3I 65.5(4) . . . . C99 C98 C2I C3I -173.3(3) . . . . C8 O1 C2 C3 -13.7(4) . . . . C2P C85 C86 C87 -0.3(7) . . . . C84 C85 C86 C87 -177.6(4) . . . . C2K O1K C84 C85 -86.2(4) . . . . C2K O1K C84 C83 150.1(3) . . . . C86 C85 C84 O1K -5.2(6) . . . . C2P C85 C84 O1K 177.3(4) . . . . C86 C85 C84 C83 117.0(4) . . . . C2P C85 C84 C83 -60.5(5) . . . . O26 C18 C17 C16 171.2(3) . . . . C19 C18 C17 C16 -67.3(4) . . . . C15 C16 C17 C18 122.1(4) . . . . O97 C95 C1I C0I 46.6(4) . . . . O96 C95 C1I C0I -74.0(4) . . . . C94 C95 C1I C0I 165.1(3) . . . . C11 C10 C3 C2 3.3(6) . . . . C11 C10 C3 C9 -179.3(3) . . . . O1 C2 C3 C10 166.9(4) . . . . O1 C2 C3 C9 -10.8(4) . . . . O27 C25 C31 C30 46.7(4) . . . . O26 C25 C31 C30 -75.0(4) . . . . C24 C25 C31 C30 163.0(3) . . . . C4K O3K C2K O1K -65.1(4) . . . . C4K O3K C2K C7K 56.9(5) . . . . C84 O1K C2K O3K -77.8(4) . . . . C84 O1K C2K C7K 158.7(3) . . . . C6K C7K C2K O3K -52.8(5) . . . . C6K C7K C2K O1K 71.1(4) . . . . O97 C95 C94 C90 -67.0(3) . . . . O96 C95 C94 C90 53.6(4) . . . . C1I C95 C94 C90 171.7(3) . . . . C95 O96 C88 C87 179.6(3) . . . . C95 O96 C88 C89 58.0(4) . . . . C90 C89 C88 O96 -54.9(4) . . . . C90 C89 C88 C87 -173.4(3) . . . . C0M O9K C5K C6K -95.3(3) . . . . C0M O9K C5K C4K 145.6(3) . . . . O0P C6K C5K O9K 67.0(4) . . . . C7K C6K C5K O9K -171.8(3) . . . . O0P C6K C5K C4K -175.1(4) . . . . C7K C6K C5K C4K -53.8(4) . . . . C42 O41 C14 C15 -75.8(3) . . . . C42 O41 C14 C13 160.9(2) . . . . C16 C15 C14 O41 -12.7(4) . . . . C62 C15 C14 O41 169.1(3) . . . . C16 C15 C14 C13 107.7(4) . . . . C62 C15 C14 C13 -70.5(4) . . . . C12 C13 C14 O41 67.5(3) . . . . C40 C13 C14 O41 -55.9(3) . . . . C12 C13 C14 C15 -55.9(4) . . . . C40 C13 C14 C15 -179.3(3) . . . . C10 C3 C9 O37 -32.1(6) . . . . C2 C3 C9 O37 145.7(4) . . . . C10 C3 C9 C8 -148.9(4) . . . . C2 C3 C9 C8 28.9(4) . . . . C10 C3 C9 C4 95.9(4) . . . . C2 C3 C9 C4 -86.3(3) . . . . C92 O91 C90 C94 -76.6(5) . . . . C92 O91 C90 C89 163.9(4) . . . . C95 C94 C90 O91 -168.5(3) . . . . C95 C94 C90 C89 -52.2(4) . . . . C88 C89 C90 O91 173.4(3) . . . . C88 C89 C90 C94 52.9(4) . . . . O41 C42 C47 C46 73.1(4) . . . . O43 C42 C47 C46 -49.4(4) . . . . C20 O21 C22 O23 6.6(8) . . . . C20 O21 C22 C4 -167.6(3) . . . . C95 C1I C0I C99 -49.6(4) . . . . C25 C31 C30 C29 -47.7(4) . . . . C50 O49 C45 C46 -103.0(4) . . . . C50 O49 C45 C44 136.8(4) . . . . O43 C44 C45 O49 -178.8(3) . . . . C48 C44 C45 O49 -61.9(4) . . . . O43 C44 C45 C46 61.3(4) . . . . C48 C44 C45 C46 178.2(4) . . . . C31 C30 C29 C36 177.1(3) . . . . C31 C30 C29 C28 53.5(4) . . . . O97 C98 C99 C6I 177.1(4) . . . . C2I C98 C99 C6I 57.6(5) . . . . O97 C98 C99 C0I -61.4(4) . . . . C2I C98 C99 C0I 179.1(3) . . . . C1I C0I C99 C6I 179.4(3) . . . . C1I C0I C99 C98 56.1(4) . . . . O1K C84 C83 C82 67.0(4) . . . . C85 C84 C83 C82 -57.5(4) . . . . O1K C84 C83 C0K -58.9(4) . . . . C85 C84 C83 C0K 176.6(3) . . . . C61 O60 C46 C45 -161.6(6) . . . . C61 O60 C46 C47 79.5(7) . . . . O49 C45 C46 O60 61.2(4) . . . . C44 C45 C46 O60 -179.1(3) . . . . O49 C45 C46 C47 -178.6(3) . . . . C44 C45 C46 C47 -58.9(4) . . . . C42 C47 C46 O60 170.7(3) . . . . C42 C47 C46 C45 52.7(4) . . . . C2 O1 C8 C9 32.5(4) . . . . C2 O1 C8 C7 158.6(3) . . . . O37 C9 C8 O1 -157.5(3) . . . . C3 C9 C8 O1 -37.2(4) . . . . C4 C9 C8 O1 76.3(4) . . . . O37 C9 C8 C7 80.8(4) . . . . C3 C9 C8 C7 -158.8(3) . . . . C4 C9 C8 C7 -45.4(4) . . . . C5I C2I C3I C4I -163.2(4) . . . . C98 C2I C3I C4I 70.0(4) . . . . C85 C86 C87 C88 115.6(5) . . . . O96 C88 C87 C86 179.1(3) . . . . C89 C88 C87 C86 -60.0(4) . . . . C25 O27 C28 C32 -167.1(4) . . . . C25 O27 C28 C29 65.1(4) . . . . C30 C29 C28 O27 -60.6(4) . . . . C36 C29 C28 O27 177.5(4) . . . . C30 C29 C28 C32 177.0(5) . . . . C36 C29 C28 C32 55.1(6) . . . . O1M C0M C5M C4M -50.4(4) . . . . O9K C0M C5M C4M 72.7(4) . . . . C9M O8M C4M C3M -171.7(4) . . . . C9M O8M C4M C5M 67.5(5) . . . . O7M C3M C4M O8M 66.4(4) . . . . C2M C3M C4M O8M -172.1(3) . . . . O7M C3M C4M C5M -173.5(3) . . . . C2M C3M C4M C5M -51.9(4) . . . . C0M C5M C4M O8M 168.9(3) . . . . C0M C5M C4M C3M 50.0(4) . . . . O23 C22 C4 C5 53.0(7) . . . . O21 C22 C4 C5 -132.6(4) . . . . O23 C22 C4 C9 -73.3(7) . . . . O21 C22 C4 C9 101.2(4) . . . . O37 C9 C4 C22 49.2(4) . . . . C3 C9 C4 C22 -78.6(4) . . . . C8 C9 C4 C22 172.5(3) . . . . O37 C9 C4 C5 -77.0(4) . . . . C3 C9 C4 C5 155.2(3) . . . . C8 C9 C4 C5 46.3(4) . . . . C38 C6 C5 C4 -171.5(4) . . . . C7 C6 C5 C4 11.3(7) . . . . C22 C4 C5 C6 -154.3(4) . . . . C9 C4 C5 C6 -31.3(6) . . . . C5 C6 C7 O39 -134.4(4) . . . . C38 C6 C7 O39 48.2(5) . . . . C5 C6 C7 C8 -8.0(6) . . . . C38 C6 C7 C8 174.6(4) . . . . O1 C8 C7 O39 35.7(5) . . . . C9 C8 C7 O39 154.2(3) . . . . O1 C8 C7 C6 -91.9(4) . . . . C9 C8 C7 C6 26.7(5) . . . . C52 O51 C50 O49 -66.1(5) . . . . C52 O51 C50 C55 55.4(5) . . . . C45 O49 C50 O51 -92.9(4) . . . . C45 O49 C50 C55 146.2(4) . . . . C72 C73 C80 C81 9.1(8) . . . . C79 C73 C80 C81 -177.2(5) . . . . C82 C81 C80 C73 -174.3(5) . . . . C80 C81 C82 C83 -176.6(4) . . . . C0K C83 C82 C81 -100.5(5) . . . . C84 C83 C82 C81 134.1(5) . . . . C2K O3K C4K C8K 178.2(4) . . . . C2K O3K C4K C5K -59.7(5) . . . . O9K C5K C4K O3K 176.5(3) . . . . C6K C5K C4K O3K 57.2(5) . . . . O9K C5K C4K C8K -65.6(6) . . . . C6K C5K C4K C8K 175.1(5) . . . . C78 O71 C72 C73 -18.2(6) . . . . C80 C73 C72 O71 162.9(5) . . . . C79 C73 C72 O71 -11.7(6) . . . . C90 O91 C92 O93 12.1(9) . . . . C90 O91 C92 C74 -170.3(4) . . . . O93 C92 C74 C75 24.9(10) . . . . O91 C92 C74 C75 -152.7(6) . . . . O93 C92 C74 C79 -103.2(8) . . . . O91 C92 C74 C79 79.2(5) . . . . C59 O58 C54 C53 -174.9(9) . . . . C59 O58 C54 C55 55.4(10) . . . . C80 C73 C79 O7I -21.4(7) . . . . C72 C73 C79 O7I 153.6(5) . . . . C80 C73 C79 C78 -140.3(6) . . . . C72 C73 C79 C78 34.6(6) . . . . C80 C73 C79 C74 103.1(5) . . . . C72 C73 C79 C74 -82.0(5) . . . . C75 C74 C79 O7I -88.2(5) . . . . C92 C74 C79 O7I 39.7(5) . . . . C75 C74 C79 C73 144.6(4) . . . . C92 C74 C79 C73 -87.5(4) . . . . C75 C74 C79 C78 36.0(5) . . . . C92 C74 C79 C78 163.8(3) . . . . C50 O51 C52 C56 174.5(5) . . . . C50 O51 C52 C53 -61.6(6) . . . . O27 C28 C32 C33 83.2(6) . . . . C29 C28 C32 C33 -153.4(5) . . . . O27 C28 C32 C35 -44.8(5) . . . . C29 C28 C32 C35 78.6(5) . . . . C75 C76 C77 O9I -149.6(6) . . . . C8I C76 C77 O9I 34.7(8) . . . . C75 C76 C77 C78 -19.7(9) . . . . C8I C76 C77 C78 164.7(6) . . . . C72 O71 C78 C77 163.1(6) . . . . C72 O71 C78 C79 40.8(7) . . . . O9I C77 C78 O71 58.3(8) . . . . C76 C77 C78 O71 -74.9(6) . . . . O9I C77 C78 C79 172.3(6) . . . . C76 C77 C78 C79 39.1(8) . . . . O7I C79 C78 O71 -166.3(6) . . . . C73 C79 C78 O71 -45.5(6) . . . . C74 C79 C78 O71 71.1(6) . . . . O7I C79 C78 C77 75.7(8) . . . . C73 C79 C78 C77 -163.5(6) . . . . C74 C79 C78 C77 -46.9(6) . . . . O51 C50 C55 C54 -43.4(6) . . . . O49 C50 C55 C54 79.2(6) . . . . C53 C54 C55 C50 46.0(7) . . . . O58 C54 C55 C50 174.7(5) . . . . O58 C54 C53 O57 56.6(6) . . . . C55 C54 C53 O57 -177.5(4) . . . . O58 C54 C53 C52 -177.5(4) . . . . C55 C54 C53 C52 -51.6(6) . . . . C56 C52 C53 C54 -179.0(5) . . . . O51 C52 C53 C54 56.8(7) . . . . C56 C52 C53 O57 -50.6(7) . . . . O51 C52 C53 O57 -174.8(5) . . . . C77 C76 C75 C74 10.1(11) . . . . C8I C76 C75 C74 -174.5(7) . . . . C92 C74 C75 C76 -143.2(7) . . . . C79 C74 C75 C76 -19.0(9) . . . . C28 C32 C33 C34 61.1(7) . . . . C35 C32 C33 C34 -173.3(6) . . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 40983.01 16739.03 587.87 o 4 0 0 46.03 11.01 38.09 o 6 0 0 78.72 409.48 80.95 o 8 0 0 5755.68 1986.83 194.78 o 10 0 0 7687.56 7147.61 262.24 o 12 0 0 3888.80 6113.23 533.56 o 14 0 0 10711.10 10689.54 391.22 o 16 0 0 132.12 190.59 63.47 o 18 0 0 140.61 150.45 33.38 o 20 0 0 1.74 66.42 54.21 o 2 1 0 2849.77 8695.86 292.20 o 3 1 0 617.97 4232.89 532.01 o 4 1 0 55034.18 72144.77 1707.36 o 5 1 0 37219.45 39076.82 1809.76 o 6 1 0 5780.36 4462.06 252.41 o 7 1 0 707.80 874.60 116.02 o 8 1 0 8842.55 5033.89 323.78 o 9 1 0 1888.58 1055.13 150.57 o 10 1 0 516.69 98.40 20.38 o 11 1 0 5123.70 6630.06 125.87 o 12 1 0 9601.04 8776.07 428.79 o 13 1 0 25.62 75.51 12.49 o 14 1 0 183.08 231.61 39.63 o 15 1 0 10.98 29.39 11.74 o 16 1 0 208.67 373.10 24.18 o 17 1 0 34.47 59.66 13.34 o 18 1 0 40.53 86.43 10.78 o 19 1 0 34.32 47.14 13.42 o 20 1 0 97.42 107.37 36.33 o 1 2 0 72851.57 34549.30 1163.53 o 2 2 0 27514.43 26054.48 866.79 o 3 2 0 10426.67 16475.69 553.72 o 4 2 0 151969.75 144212.17 3428.17 o 5 2 0 1516.80 4046.83 120.15 o 6 2 0 853.99 740.89 31.29 o 7 2 0 190.94 1529.44 147.33 o 8 2 0 172.52 476.57 101.63 o 9 2 0 2126.03 1622.16 182.95 o 10 2 0 2426.69 1635.20 201.50 o 11 2 0 351.32 380.19 15.53 o 12 2 0 398.26 417.73 57.42 o 13 2 0 604.61 1335.67 126.88 o 14 2 0 19.94 844.12 521.04 o 15 2 0 14.04 190.89 49.26 o 16 2 0 1920.37 2123.70 47.34 o 17 2 0 7.06 42.47 6.99 o 18 2 0 363.08 497.38 90.43 o 19 2 0 155.73 210.76 45.02 o 20 2 0 31.22 36.27 11.86 o 1 3 0 5236.59 2554.68 114.91 o 2 3 0 14844.19 9232.56 319.24 o 3 3 0 23397.26 12649.90 432.44 o 4 3 0 13222.50 17648.63 488.09 o 5 3 0 14533.34 11003.39 291.03 o 6 3 0 884.26 894.29 40.26 o 7 3 0 2864.94 3660.77 235.07 o 8 3 0 11132.89 12298.21 572.55 o 9 3 0 1406.23 2055.31 205.33 o 10 3 0 2328.66 1640.54 194.97 o 11 3 0 734.87 1483.40 137.11 o 12 3 0 533.28 871.98 19.80 o 13 3 0 166.98 510.69 169.25 o 14 3 0 4973.17 5298.16 328.95 o 15 3 0 874.14 887.02 77.72 o 16 3 0 583.85 527.34 15.81 o 17 3 0 929.86 709.12 20.51 o 18 3 0 108.18 162.36 12.69 o 19 3 0 6.46 29.01 8.32 o 20 3 0 3.38 2.14 7.74 o 0 4 0 51623.13 33704.28 795.49 o 1 4 0 1834.00 910.08 38.95 o 3 4 0 61163.73 51053.84 2741.61 o 4 4 0 13223.43 18762.95 495.71 o 5 4 0 25113.63 28715.64 969.50 o 6 4 0 9776.38 9168.68 269.52 o 7 4 0 46.42 26.04 11.02 o 8 4 0 5229.36 6800.28 373.88 o 9 4 0 182.63 67.58 65.84 o 10 4 0 1668.42 1239.89 171.07 o 11 4 0 1.43 7.85 7.52 o 12 4 0 902.25 1508.70 157.85 o 13 4 0 1887.64 1680.79 184.01 o 14 4 0 756.60 684.20 17.17 o 15 4 0 102.25 133.15 13.40 o 16 4 0 849.76 871.04 20.95 o 17 4 0 15.33 21.81 6.45 o 18 4 0 748.04 726.83 140.37 o 19 4 0 26.94 100.36 10.10 o 20 4 0 297.56 72.99 87.91 o 1 5 0 4226.56 2420.10 68.36 o 2 5 0 330.56 387.10 22.58 o 3 5 0 4275.87 2662.41 81.19 o 4 5 0 3015.62 1613.08 56.39 o 5 5 0 374.76 159.31 16.21 o 6 5 0 245.75 176.61 20.74 o 7 5 0 20332.93 20962.61 546.37 o 8 5 0 846.30 592.34 101.86 o 9 5 0 1177.77 2300.02 209.45 o 10 5 0 7130.46 4617.13 336.98 o 11 5 0 2688.43 2111.24 132.40 o 12 5 0 2176.96 2530.11 198.49 o 13 5 0 255.48 443.28 191.46 o 14 5 0 778.26 1085.53 357.97 o 15 5 0 271.24 231.12 12.89 o 16 5 0 496.19 697.02 20.07 o 17 5 0 35.31 40.26 11.94 o 18 5 0 239.84 351.65 22.99 o 19 5 0 53.76 126.23 32.35 o 20 5 0 275.29 88.50 69.06 o 0 6 0 3333.24 4448.31 115.87 o 1 6 0 2268.91 2885.97 128.70 o 2 6 0 17449.27 19737.66 399.74 o 3 6 0 506.88 694.89 34.58 o 4 6 0 819.27 1740.92 62.59 o 5 6 0 272.54 499.98 29.62 o 6 6 0 15.28 92.15 21.26 o 7 6 0 279.04 606.73 79.25 o 8 6 0 4736.23 4699.65 293.58 o 9 6 0 139.55 53.43 57.83 o 10 6 0 83.32 126.88 78.30 o 11 6 0 1410.27 1048.81 44.47 o 12 6 0 605.99 626.75 23.03 o 13 6 0 2352.84 2377.41 184.11 o 14 6 0 4437.94 4462.56 452.39 o 15 6 0 224.60 269.67 24.13 o 16 6 0 4810.07 4612.24 140.31 o 17 6 0 412.34 606.43 37.43 o 18 6 0 32.28 20.37 8.68 o 19 6 0 24.86 42.44 21.60 o 20 6 0 127.18 37.42 26.51 o 1 7 0 3296.34 3339.57 112.43 o 2 7 0 15214.31 15038.01 316.35 o 3 7 0 1200.50 969.32 40.40 o 4 7 0 1440.97 1685.09 64.06 o 5 7 0 14590.20 9741.48 257.03 o 6 7 0 598.03 701.43 38.50 o 7 7 0 1779.58 3367.67 124.98 o 8 7 0 2660.57 2695.37 177.14 o 9 7 0 602.22 609.71 109.66 o 10 7 0 57.51 77.82 14.95 o 11 7 0 350.10 251.68 12.07 o 12 7 0 926.33 557.20 32.77 o 13 7 0 949.79 1116.44 88.32 o 14 7 0 974.34 807.29 67.80 o 15 7 0 28.84 48.04 19.40 o 16 7 0 67.81 67.38 7.14 o 17 7 0 37.89 26.60 8.93 o 18 7 0 17.10 41.60 8.47 o 19 7 0 220.04 308.73 50.67 o 20 7 0 2.44 5.13 5.49 o 0 8 0 1705.46 1356.78 44.41 o 1 8 0 740.17 92.81 8.31 o 2 8 0 16505.80 15334.89 325.97 o 3 8 0 107.50 199.69 23.15 o 4 8 0 4111.67 3553.35 113.97 o 5 8 0 737.42 1322.43 80.21 o 6 8 0 450.38 1082.78 52.48 o 7 8 0 3883.66 3151.78 148.83 o 8 8 0 546.57 946.04 109.71 o 9 8 0 165.88 666.51 116.51 o 10 8 0 19.99 26.80 5.79 o 11 8 0 631.38 705.71 56.53 o 12 8 0 1126.51 1495.92 91.11 o 13 8 0 113.02 157.18 8.87 o 14 8 0 68.99 129.52 10.01 o 15 8 0 261.05 295.61 23.42 o 16 8 0 792.39 677.44 81.27 o 17 8 0 240.69 283.28 28.71 o 18 8 0 86.96 113.54 13.79 o 19 8 0 246.27 347.35 56.51 o 20 8 0 93.77 51.46 9.05 o 1 9 0 5212.08 6127.42 142.82 o 2 9 0 1476.73 689.48 37.10 o 3 9 0 2053.15 2914.64 89.80 o 4 9 0 8707.67 10941.74 293.30 o 5 9 0 62.52 33.61 16.58 o 6 9 0 1458.64 1459.40 66.09 o 7 9 0 826.98 1117.09 78.94 o 8 9 0 1357.83 2348.92 107.30 o 9 9 0 25.60 53.92 15.85 o 10 9 0 399.55 720.17 26.68 o 11 9 0 974.84 827.29 22.33 o 12 9 0 398.54 533.73 20.17 o 13 9 0 628.04 862.09 61.98 o 14 9 0 141.67 136.38 8.98 o 15 9 0 91.46 145.25 14.26 o 16 9 0 2395.61 2307.91 312.35 o 17 9 0 150.07 74.06 21.05 o 18 9 0 62.07 7.38 9.01 o 19 9 0 226.35 270.11 39.57 o 20 9 0 66.21 17.89 7.80 o 0 10 0 6354.65 4291.69 151.57 o 1 10 0 5382.23 7370.64 227.03 o 2 10 0 2721.85 3800.39 84.96 o 3 10 0 5864.45 4903.01 134.92 o 4 10 0 971.73 491.57 38.12 o 5 10 0 9068.56 10401.29 286.96 o 6 10 0 2640.43 2047.39 85.36 o 7 10 0 1051.73 1389.63 67.90 o 8 10 0 796.07 768.65 58.90 o 9 10 0 1180.85 1696.18 63.88 o 10 10 0 2237.10 2774.41 68.15 o 11 10 0 0.15 2.15 4.78 o 12 10 0 452.70 746.92 41.34 o 13 10 0 535.15 321.25 15.20 o 14 10 0 702.76 863.36 81.45 o 15 10 0 27.73 9.32 7.34 o 16 10 0 518.46 451.52 27.70 o 17 10 0 7.42 22.37 11.68 o 18 10 0 158.28 130.51 19.82 o 19 10 0 3.78 8.75 8.13 o 1 11 0 31.80 54.47 6.64 o 2 11 0 45.64 145.80 7.95 o 3 11 0 150.02 128.83 9.73 o 4 11 0 135.74 182.63 34.09 o 5 11 0 1236.70 1953.45 86.02 o 6 11 0 1255.14 1426.52 71.57 o 7 11 0 1671.48 1376.20 122.80 o 8 11 0 0.82 21.96 16.63 o 9 11 0 2646.80 2252.81 69.39 o 10 11 0 804.74 912.44 28.14 o 11 11 0 34.32 31.23 8.32 o 12 11 0 4136.34 3675.79 204.72 o 13 11 0 33.02 3.97 5.53 o 14 11 0 2.35 42.39 39.80 o 15 11 0 126.64 199.57 14.37 o 16 11 0 607.86 414.09 27.83 o 17 11 0 2.13 1.73 7.66 o 18 11 0 11.65 22.40 8.29 o 19 11 0 31.64 21.43 4.79 o 0 12 0 634.55 461.90 28.95 o 1 12 0 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320.74 o -5 7 2 6514.83 4946.02 214.07 o -4 7 2 7982.22 5999.83 246.46 o -3 7 2 1551.62 724.51 201.69 o -2 7 2 5435.68 4891.86 115.03 o -1 7 2 1896.99 2159.70 88.60 o 0 7 2 20718.67 23288.38 807.77 o 1 7 2 1920.96 2063.74 80.19 o 2 7 2 5416.81 5072.27 206.88 o 3 7 2 1588.66 1080.70 48.32 o 4 7 2 8013.43 6033.98 227.84 o 5 7 2 6475.61 5068.91 146.13 o 6 7 2 6782.24 7655.69 207.73 o 7 7 2 2532.22 2839.08 93.03 o 10 7 2 1671.33 2064.97 204.25 o 11 7 2 123.62 85.68 13.39 o 12 7 2 1338.22 1839.32 217.16 o 13 7 2 3866.75 4283.97 444.98 o 14 7 2 386.87 325.91 11.24 o 15 7 2 1000.77 976.00 28.21 o 16 7 2 572.41 556.44 20.44 o 17 7 2 137.20 90.92 8.48 o 18 7 2 50.88 58.62 8.86 o 19 7 2 357.88 496.59 54.06 o 20 7 2 175.12 115.91 31.42 o -20 8 2 28.66 17.78 5.99 o -19 8 2 352.48 286.48 154.89 o -18 8 2 66.12 45.22 11.68 o -17 8 2 34.73 55.91 47.79 o -16 8 2 141.17 201.91 11.96 o -15 8 2 468.45 608.42 94.16 o -14 8 2 1713.37 1821.77 74.97 o -13 8 2 2381.58 2501.56 185.30 o -12 8 2 235.98 437.44 118.28 o -11 8 2 1513.16 1511.66 140.94 o -10 8 2 1175.20 1499.46 103.70 o -9 8 2 6257.51 5975.94 364.37 o -8 8 2 335.93 329.65 36.03 o -7 8 2 2283.75 2553.68 131.80 o -6 8 2 3378.86 3268.85 158.37 o -5 8 2 5416.76 5496.13 167.45 o -4 8 2 33243.78 29538.61 1031.37 o -3 8 2 4669.09 4851.38 152.22 o -2 8 2 3158.94 2724.87 73.92 o -1 8 2 642.49 585.53 28.57 o 0 8 2 102.76 36.31 8.87 o 1 8 2 646.39 602.00 52.27 o 2 8 2 3127.51 2688.50 93.09 o 3 8 2 4683.65 4854.43 145.03 o 4 8 2 33260.98 30930.79 753.83 o 5 8 2 5466.90 5632.35 163.82 o 6 8 2 3368.97 3211.78 106.08 o 7 8 2 2261.23 2449.37 146.03 o 10 8 2 1172.22 1408.45 41.09 o 11 8 2 1508.00 1502.06 58.57 o 12 8 2 237.80 351.23 25.34 o 13 8 2 2399.47 2397.20 113.82 o 14 8 2 1707.12 1728.92 84.41 o 15 8 2 468.78 574.00 19.47 o 16 8 2 141.73 198.37 13.81 o 17 8 2 32.63 38.32 8.64 o 18 8 2 65.25 45.41 11.24 o 19 8 2 354.40 298.82 17.63 o 20 8 2 28.27 50.23 16.93 o -20 9 2 49.94 26.17 8.23 o -19 9 2 26.53 29.75 16.70 o -18 9 2 467.93 480.84 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25624.69 517.76 o 3 11 2 2581.89 3129.40 82.51 o 4 11 2 12018.34 10694.81 229.40 o 5 11 2 857.91 900.84 34.26 o 6 11 2 2807.09 2681.78 75.20 o 7 11 2 679.78 451.36 39.69 o 8 11 2 640.97 722.51 29.63 o 9 11 2 1960.66 1937.30 102.86 o 10 11 2 1862.54 1841.16 56.63 o 11 11 2 232.32 165.66 16.76 o 12 11 2 520.35 517.11 20.65 o 13 11 2 265.55 242.24 15.16 o 14 11 2 207.86 161.19 12.04 o 15 11 2 27.17 15.56 9.22 o 16 11 2 7.26 31.30 9.25 o 17 11 2 351.93 486.38 23.92 o 18 11 2 42.67 75.78 9.34 o 19 11 2 50.83 36.99 16.02 o -18 12 2 100.01 143.77 13.49 o -17 12 2 354.69 468.45 44.34 o -16 12 2 349.19 266.30 22.05 o -15 12 2 101.25 119.67 12.79 o -14 12 2 110.38 142.80 12.13 o -13 12 2 801.55 942.95 78.76 o -12 12 2 362.16 413.87 27.52 o -11 12 2 1018.70 1272.81 39.46 o -10 12 2 363.56 384.92 23.60 o -9 12 2 1168.17 915.62 55.72 o -8 12 2 1583.01 1588.42 74.65 o -7 12 2 352.85 506.65 63.03 o -6 12 2 573.12 641.04 51.40 o -5 12 2 1025.49 1535.99 51.14 o -4 12 2 4878.52 5775.79 140.79 o -3 12 2 7432.59 7938.91 232.16 o -2 12 2 1681.56 1576.31 48.80 o -1 12 2 1714.97 1871.52 48.02 o 0 12 2 2375.18 728.20 25.84 o 1 12 2 1727.78 1921.64 59.22 o 2 12 2 1674.76 1572.19 40.78 o 3 12 2 7454.95 7998.45 182.03 o 4 12 2 4878.43 5719.11 137.80 o 5 12 2 1029.72 1525.09 50.49 o 6 12 2 587.20 611.77 47.70 o 7 12 2 357.88 471.24 21.78 o 8 12 2 1581.39 1606.89 47.45 o 9 12 2 1160.42 912.00 34.70 o 10 12 2 370.93 366.65 29.65 o 11 12 2 1012.54 1326.98 54.19 o 12 12 2 360.47 430.63 101.46 o 13 12 2 800.44 932.20 56.30 o 14 12 2 110.43 109.23 12.30 o 15 12 2 99.16 115.72 24.61 o 16 12 2 341.71 244.42 22.77 o 17 12 2 352.02 460.96 22.13 o 18 12 2 101.82 128.80 9.77 o 19 12 2 232.92 100.42 74.92 o -18 13 2 27.00 19.13 6.02 o -17 13 2 305.07 284.69 19.49 o -16 13 2 31.72 43.02 10.21 o -15 13 2 1064.37 1118.69 35.09 o -14 13 2 929.67 853.45 50.49 o -13 13 2 14.34 54.66 15.89 o -12 13 2 1442.36 1287.42 78.52 o -11 13 2 583.52 592.27 25.35 o -10 13 2 394.14 456.61 19.75 o -9 13 2 839.58 826.97 86.20 o -8 13 2 893.95 830.26 28.86 o -7 13 2 405.23 341.66 18.38 o -6 13 2 1293.97 1576.78 50.52 o -5 13 2 348.81 566.60 51.11 o -4 13 2 1575.09 1515.87 52.08 o -3 13 2 3367.10 4841.09 117.58 o -2 13 2 12642.19 13100.86 293.09 o -1 13 2 7803.02 8038.44 194.07 o 0 13 2 3269.54 1875.58 46.97 o 1 13 2 7768.30 7751.64 179.97 o 2 13 2 12610.85 12619.11 231.30 o 3 13 2 3360.80 4713.02 98.56 o 4 13 2 1589.24 1493.55 51.17 o 5 13 2 348.62 489.40 26.19 o 6 13 2 1300.61 1600.45 62.92 o 7 13 2 396.42 341.58 16.78 o 8 13 2 881.89 805.28 33.16 o 9 13 2 836.65 851.14 38.56 o 10 13 2 384.19 408.09 32.18 o 11 13 2 580.22 632.41 50.78 o 12 13 2 1449.05 1243.10 64.32 o 13 13 2 14.74 71.08 14.94 o 14 13 2 940.33 895.03 42.24 o 15 13 2 1070.39 1077.69 36.97 o 16 13 2 31.50 43.70 8.17 o 17 13 2 301.91 336.11 29.66 o 19 13 2 54.83 41.65 19.79 o -18 14 2 121.05 42.88 27.94 o -17 14 2 8.93 33.69 7.22 o -16 14 2 110.47 112.38 11.00 o -15 14 2 117.74 162.54 12.86 o -14 14 2 119.93 168.42 33.39 o -13 14 2 172.14 113.67 18.44 o -12 14 2 875.73 640.59 44.28 o -11 14 2 1509.04 1586.70 47.30 o -10 14 2 1111.35 1460.08 148.61 o -9 14 2 70.88 63.46 16.33 o -8 14 2 1724.72 1640.06 38.67 o -7 14 2 782.09 741.77 23.25 o -6 14 2 1181.28 1759.23 52.30 o -5 14 2 558.22 469.28 22.38 o -4 14 2 3579.87 3037.07 93.94 o -3 14 2 8395.06 8303.06 184.47 o -2 14 2 1909.80 2294.27 78.70 o -1 14 2 1345.13 1791.46 62.38 o 0 14 2 43.17 15.12 11.83 o 1 14 2 1347.21 1671.16 52.83 o 2 14 2 1928.84 2274.27 69.98 o 3 14 2 8379.35 8288.59 192.31 o 4 14 2 3609.98 2981.39 86.33 o 5 14 2 556.04 464.58 33.80 o 6 14 2 1180.12 1707.86 39.13 o 7 14 2 788.06 765.17 33.91 o 8 14 2 1724.40 1619.95 71.18 o 9 14 2 71.11 39.50 11.03 o 10 14 2 1113.48 1349.83 120.50 o 11 14 2 1523.69 1663.92 63.36 o 12 14 2 876.77 647.89 36.26 o 13 14 2 172.49 141.43 162.00 o 14 14 2 119.43 147.86 27.11 o 15 14 2 116.65 148.74 24.74 o 16 14 2 108.53 116.92 27.12 o 17 14 2 8.37 31.18 16.69 o -18 15 2 85.86 73.18 24.57 o -16 15 2 72.73 24.74 9.25 o -15 15 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48.76 14.66 o -16 17 2 82.79 84.28 21.43 o -15 17 2 28.92 30.23 20.28 o -14 17 2 249.71 307.31 107.87 o -13 17 2 303.95 470.24 49.00 o -12 17 2 111.48 199.63 15.82 o -11 17 2 462.17 575.04 154.39 o -10 17 2 1394.79 1178.77 37.40 o -9 17 2 2470.82 2611.56 57.58 o -8 17 2 447.56 464.86 17.99 o -7 17 2 553.09 570.01 21.07 o -6 17 2 305.05 420.20 19.28 o -5 17 2 1862.32 2293.40 62.98 o -4 17 2 475.20 413.39 15.93 o -3 17 2 65.12 157.43 8.56 o -2 17 2 3488.78 3678.74 101.71 o -1 17 2 123.55 53.40 16.61 o 0 17 2 142.04 220.10 20.57 o 1 17 2 120.59 45.62 11.45 o 2 17 2 3476.97 3556.66 132.92 o 3 17 2 64.49 148.04 10.08 o 4 17 2 474.82 411.41 14.03 o 5 17 2 1850.62 2355.24 88.80 o 6 17 2 310.49 410.39 19.81 o 7 17 2 552.67 564.22 29.57 o 8 17 2 445.96 440.94 18.81 o 9 17 2 2474.02 2549.44 184.10 o 10 17 2 1400.07 1001.89 94.92 o 11 17 2 458.47 630.11 48.44 o 12 17 2 110.61 242.76 18.59 o 13 17 2 304.07 351.91 53.24 o 14 17 2 247.74 308.47 29.06 o 15 17 2 25.33 48.95 17.55 o 16 17 2 80.82 83.67 25.36 o 17 17 2 39.18 45.54 19.37 o -17 18 2 102.76 33.11 20.21 o -15 18 2 138.91 142.57 27.26 o -14 18 2 112.68 48.71 49.60 o -13 18 2 286.14 96.48 62.72 o -12 18 2 223.38 233.42 16.50 o -11 18 2 166.57 134.52 13.60 o -10 18 2 1469.85 1469.76 46.40 o -9 18 2 398.18 367.53 18.29 o -8 18 2 920.92 760.64 34.63 o -7 18 2 1800.27 2246.04 97.17 o -6 18 2 452.64 369.80 13.71 o -5 18 2 191.07 325.55 16.43 o -4 18 2 857.04 798.03 20.93 o -3 18 2 4926.47 5627.00 160.64 o -2 18 2 190.78 150.82 12.98 o -1 18 2 326.96 231.36 12.18 o 0 18 2 32.82 83.79 12.92 o 1 18 2 326.93 216.39 17.25 o 2 18 2 193.46 169.60 11.64 o 3 18 2 4944.65 5433.42 168.13 o 4 18 2 855.46 814.43 22.12 o 5 18 2 191.98 343.42 13.69 o 6 18 2 442.14 326.15 13.74 o 7 18 2 1818.18 2250.58 116.01 o 8 18 2 929.46 747.03 53.37 o 9 18 2 397.12 358.69 40.25 o 10 18 2 1482.88 1237.42 73.57 o 11 18 2 166.89 137.36 30.57 o 12 18 2 222.93 245.44 19.50 o 13 18 2 288.04 218.49 81.75 o 14 18 2 110.52 171.57 12.19 o 15 18 2 137.13 122.89 19.56 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107.73 o -8 11 4 615.99 450.38 22.55 o -7 11 4 190.93 96.69 36.03 o -6 11 4 5704.46 5220.64 150.00 o -5 11 4 2548.40 3010.10 95.35 o -4 11 4 5256.96 4776.91 141.07 o -3 11 4 1707.90 2291.57 70.12 o -2 11 4 4666.66 4425.07 95.27 o -1 11 4 4515.88 6783.59 199.84 o 0 11 4 7110.69 7066.38 167.13 o 1 11 4 4495.55 6521.09 392.38 o 2 11 4 4639.90 4316.05 100.34 o 3 11 4 1702.95 2203.73 61.20 o 4 11 4 5290.34 4956.39 121.83 o 5 11 4 2533.84 3022.04 81.99 o 6 11 4 5671.13 5135.72 125.90 o 7 11 4 188.41 86.12 11.75 o 8 11 4 620.08 450.56 22.52 o 9 11 4 1222.34 1089.18 42.79 o 10 11 4 824.92 1013.10 48.79 o 11 11 4 2066.18 1758.32 104.66 o 12 11 4 964.77 1142.94 84.52 o 13 11 4 2231.65 1855.75 251.05 o 14 11 4 37.98 36.52 9.20 o 15 11 4 45.00 40.98 7.03 o 16 11 4 264.66 230.70 16.97 o 17 11 4 171.60 176.80 28.38 o 18 11 4 88.15 77.99 7.04 o -18 12 4 49.39 75.41 23.29 o -17 12 4 321.48 328.14 29.74 o -16 12 4 212.85 241.06 13.99 o -15 12 4 39.88 19.70 8.35 o -14 12 4 42.68 47.29 9.31 o -13 12 4 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13.08 o 0 1 28 23.36 12.55 6.76 o 1 1 28 126.25 150.96 12.55 o 2 1 28 81.09 124.48 7.25 o 3 1 28 15.11 21.27 5.04 o 4 1 28 31.42 48.55 6.03 o 5 1 28 5.40 24.61 6.13 o 6 1 28 4.45 8.73 4.78 o 7 1 28 30.18 33.80 7.89 o 8 1 28 276.73 209.72 16.64 o 9 1 28 0.09 0.99 6.34 o -8 2 28 69.73 33.55 9.26 o -7 2 28 104.46 147.24 7.05 o -6 2 28 59.48 65.08 8.89 o -5 2 28 90.57 82.93 6.31 o -4 2 28 147.97 131.99 8.98 o -3 2 28 68.93 61.11 7.57 o -2 2 28 35.82 26.81 7.05 o -1 2 28 9.53 0.78 6.93 o 0 2 28 608.90 656.00 20.83 o 1 2 28 9.47 1.82 6.54 o 2 2 28 37.84 30.98 5.96 o 3 2 28 69.00 63.56 6.35 o 4 2 28 147.57 128.88 7.38 o 5 2 28 90.49 85.67 6.18 o 6 2 28 60.76 55.60 6.47 o 7 2 28 102.11 133.33 10.87 o -8 3 28 70.52 55.09 6.30 o -7 3 28 370.18 311.27 14.02 o -6 3 28 28.91 48.79 7.12 o -5 3 28 56.88 44.60 5.28 o -4 3 28 9.60 14.52 4.64 o -3 3 28 86.16 107.05 8.50 o -2 3 28 206.29 214.90 11.27 o -1 3 28 138.64 95.48 7.72 o 0 3 28 142.60 165.80 13.00 o 1 3 28 133.77 94.64 11.01 o 2 3 28 207.60 202.63 9.32 o 3 3 28 87.05 108.41 7.14 o 4 3 28 8.46 9.87 4.23 o 5 3 28 58.39 48.06 5.19 o 6 3 28 28.12 43.29 8.70 o 8 3 28 70.03 50.65 10.04 o -8 4 28 170.50 126.17 9.41 o -7 4 28 273.94 174.38 12.56 o -6 4 28 204.17 206.67 9.06 o -5 4 28 65.44 50.01 5.30 o -4 4 28 134.06 162.20 8.06 o -3 4 28 37.85 43.67 6.82 o -2 4 28 17.28 31.23 6.78 o -1 4 28 163.95 166.16 13.27 o 0 4 28 158.32 197.98 10.99 o 1 4 28 161.56 162.22 12.42 o 2 4 28 17.84 36.70 5.89 o 3 4 28 36.62 46.56 5.84 o 4 4 28 136.67 165.76 6.92 o 5 4 28 63.32 55.91 6.02 o 8 4 28 169.33 106.60 11.04 o -8 5 28 142.09 123.98 9.89 o -7 5 28 79.17 60.87 4.55 o -6 5 28 161.47 222.61 11.17 o -5 5 28 318.74 302.15 11.22 o -4 5 28 57.31 38.23 6.20 o -3 5 28 9.15 3.40 4.88 o -2 5 28 3.01 4.43 6.23 o -1 5 28 6.70 2.38 7.32 o 0 5 28 557.73 626.38 19.36 o 1 5 28 7.03 0.84 7.22 o 2 5 28 3.39 8.72 5.67 o 3 5 28 9.75 8.06 5.39 o 4 5 28 55.96 42.23 5.99 o 7 5 28 79.37 35.39 9.79 o 8 5 28 142.98 99.22 9.92 o -8 6 28 31.58 40.08 6.19 o -7 6 28 68.58 50.91 7.53 o -6 6 28 27.89 29.66 4.86 o -5 6 28 38.96 51.55 4.95 o -4 6 28 198.39 134.18 6.99 o -3 6 28 135.94 94.02 7.63 o -2 6 28 28.66 28.91 6.36 o -1 6 28 21.55 9.67 7.34 o 0 6 28 6.40 4.24 5.93 o 1 6 28 21.26 12.22 7.06 o 2 6 28 27.47 32.15 5.11 o 3 6 28 134.34 82.38 4.59 o 4 6 28 198.49 138.26 9.12 o 5 6 28 38.92 41.15 7.36 o 7 6 28 67.77 41.23 8.64 o -7 7 28 89.13 78.80 8.36 o -6 7 28 65.93 30.09 4.67 o -5 7 28 40.99 50.57 4.59 o -4 7 28 87.28 141.71 8.04 o -3 7 28 135.83 195.52 9.54 o -2 7 28 192.34 220.46 12.40 o -1 7 28 60.13 50.82 6.77 o 0 7 28 29.23 51.89 6.75 o 1 7 28 59.53 48.98 7.74 o 2 7 28 188.13 213.88 11.25 o 3 7 28 135.87 165.74 11.06 o 4 7 28 89.86 121.63 7.65 o -6 8 28 136.28 195.47 13.84 o -5 8 28 1.75 12.21 3.90 o -4 8 28 125.39 189.21 8.56 o -3 8 28 18.17 17.01 5.33 o -2 8 28 27.29 9.13 6.21 o -1 8 28 22.07 20.93 5.70 o 0 8 28 16.31 14.67 5.38 o 1 8 28 22.99 22.02 6.13 o 2 8 28 26.86 7.46 3.71 o 3 8 28 18.59 14.96 4.06 o 4 8 28 126.92 178.70 9.17 o 5 8 28 1.72 11.50 6.10 o 6 8 28 137.77 141.04 9.79 o 7 8 28 30.38 27.67 5.25 o -6 9 28 140.86 143.19 11.26 o -5 9 28 79.77 48.79 9.38 o -4 9 28 16.12 13.40 4.24 o -3 9 28 7.31 18.16 5.57 o -2 9 28 176.45 146.93 9.34 o -1 9 28 27.87 16.07 4.96 o 0 9 28 163.05 148.82 7.79 o 1 9 28 26.42 14.46 5.16 o 2 9 28 172.67 117.65 8.02 o 3 9 28 7.67 13.73 4.97 o 4 9 28 16.06 9.91 4.48 o 5 9 28 78.26 47.81 6.66 o 6 9 28 138.33 138.67 9.19 o -6 10 28 14.41 8.78 5.40 o -5 10 28 38.07 42.64 8.28 o -4 10 28 217.06 184.61 15.93 o -3 10 28 171.51 215.62 17.66 o -2 10 28 81.40 54.84 5.14 o -1 10 28 140.19 96.36 6.05 o 0 10 28 6.26 2.89 3.90 o 1 10 28 141.37 98.03 10.91 o 2 10 28 78.73 58.56 10.88 o 3 10 28 173.37 227.34 9.95 o 4 10 28 216.72 165.70 11.61 o 5 10 28 38.20 54.67 6.49 o 6 10 28 14.59 8.20 4.15 o -5 11 28 0.66 1.41 5.10 o -3 11 28 40.29 23.04 6.83 o -2 11 28 114.91 232.40 11.97 o -1 11 28 47.33 57.67 6.89 o 0 11 28 54.90 25.76 6.12 o 1 11 28 47.41 52.63 6.23 o 2 11 28 113.79 201.93 10.48 o 3 11 28 39.83 22.51 4.38 o 4 11 28 123.56 106.89 7.97 o 5 11 28 0.57 4.94 4.02 o -3 12 28 13.85 29.29 4.43 o -2 12 28 272.42 330.91 12.74 o -1 12 28 133.49 128.55 7.81 o 0 12 28 591.81 677.55 30.87 o 1 12 28 130.09 94.53 7.14 o 2 12 28 274.17 320.48 11.28 o 3 12 28 13.14 28.72 3.81 o -1 13 28 49.63 26.97 6.28 o 0 13 28 24.27 16.83 6.18 o 1 0 29 21.02 22.27 7.65 o 2 0 29 3.04 0.00 6.37 o 3 0 29 8.79 6.31 8.84 o 4 0 29 33.81 21.77 6.37 o 5 0 29 262.99 279.34 12.07 o 6 0 29 23.92 4.94 5.81 o 7 0 29 100.97 91.68 10.74 o -7 1 29 211.93 171.76 13.64 o -6 1 29 44.74 38.04 5.16 o -5 1 29 162.94 210.87 10.42 o -4 1 29 173.64 190.57 15.54 o -3 1 29 45.82 62.71 11.84 o -2 1 29 1.08 10.33 5.72 o -1 1 29 38.27 44.53 6.74 o 0 1 29 29.19 20.05 5.83 o 1 1 29 36.34 33.81 10.46 o 2 1 29 1.42 6.65 4.47 o 3 1 29 43.13 68.80 6.87 o 4 1 29 169.21 171.07 10.06 o 5 1 29 159.35 218.36 10.29 o 6 1 29 45.80 37.39 7.08 o 7 1 29 212.12 176.29 13.92 o -7 2 29 132.41 146.64 11.81 o -6 2 29 225.21 202.24 17.18 o -5 2 29 61.79 72.88 9.56 o -4 2 29 163.54 165.36 14.49 o -3 2 29 93.27 88.93 7.00 o -2 2 29 24.72 18.74 5.72 o -1 2 29 29.08 54.82 6.80 o 0 2 29 218.54 219.15 10.36 o 1 2 29 27.78 52.62 6.45 o 2 2 29 24.62 24.33 5.03 o 3 2 29 91.86 83.22 6.68 o 4 2 29 160.65 153.86 9.33 o 5 2 29 60.52 70.52 8.98 o 6 2 29 232.79 202.64 12.17 o -6 3 29 48.83 43.45 6.90 o -5 3 29 37.63 35.59 8.15 o -4 3 29 188.50 112.00 6.96 o -3 3 29 82.86 88.16 6.86 o -2 3 29 12.81 6.76 5.35 o -1 3 29 60.09 79.76 7.12 o 0 3 29 0.00 27.69 7.49 o 1 3 29 59.02 64.34 6.65 o 2 3 29 11.89 5.15 5.12 o 3 3 29 83.42 87.20 6.58 o 4 3 29 189.52 107.12 9.30 o 5 3 29 40.67 35.60 7.24 o 7 3 29 285.83 310.32 17.71 o -6 4 29 55.34 44.50 4.82 o -5 4 29 161.27 158.26 9.03 o -4 4 29 11.53 27.84 5.08 o -3 4 29 173.81 252.74 10.25 o -2 4 29 307.89 214.52 9.70 o -1 4 29 23.03 62.30 7.89 o 0 4 29 6.12 9.63 5.43 o 1 4 29 24.29 50.14 6.16 o 2 4 29 309.74 197.61 7.78 o 3 4 29 172.94 238.66 9.44 o 4 4 29 11.62 19.66 5.00 o -6 5 29 91.20 66.46 5.45 o -5 5 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7.57 o -1 2 30 16.25 2.96 5.24 o 0 2 30 66.24 40.11 8.70 o 1 2 30 15.41 7.07 4.31 o 2 2 30 150.27 93.28 7.15 o 3 2 30 114.31 56.83 9.40 o 4 2 30 110.15 49.34 4.89 o -4 3 30 21.93 16.92 4.35 o -3 3 30 18.16 17.10 4.77 o -2 3 30 151.03 186.15 9.54 o -1 3 30 151.29 158.71 6.57 o 0 3 30 49.70 81.69 5.88 o 1 3 30 150.72 149.68 7.07 o 2 3 30 149.90 190.52 9.23 o 3 3 30 17.78 11.80 3.92 o 4 3 30 22.80 17.87 5.28 o -4 4 30 168.19 130.65 7.02 o -3 4 30 133.48 141.65 7.90 o -2 4 30 59.36 80.57 6.33 o -1 4 30 38.02 43.37 4.59 o 0 4 30 34.71 24.54 3.79 o 1 4 30 37.65 42.16 4.54 o 2 4 30 59.79 76.20 5.37 o 3 4 30 134.71 146.63 7.02 o -4 5 30 12.13 9.85 3.75 o -3 5 30 482.88 451.16 15.06 o -2 5 30 30.92 59.29 4.83 o -1 5 30 8.20 16.30 3.77 o 0 5 30 335.82 312.76 8.62 o 1 5 30 8.57 14.03 3.58 o 2 5 30 30.17 52.02 5.10 o -3 6 30 18.79 13.12 3.85 o -2 6 30 64.17 56.09 5.42 o -1 6 30 7.31 12.02 2.98 o 0 6 30 102.69 56.00 3.71 o 1 6 30 7.56 9.44 5.33 o 2 6 30 63.81 61.65 7.82 o -3 7 30 354.33 404.19 18.98 o -2 7 30 0.45 2.37 4.44 o -1 7 30 148.24 132.45 7.22 o 0 7 30 36.23 13.10 3.90 o 2 7 30 0.30 5.89 4.75 o -1 8 30 93.73 64.93 6.88 o 0 8 30 43.25 56.27 6.86 o 1 0 31 33.43 40.26 6.09 o -1 1 31 166.86 102.53 8.51 o 0 1 31 104.57 107.98 8.42 o 1 1 31 166.17 106.89 8.29 o -1 2 31 130.79 97.84 7.79 o 0 2 31 3.29 18.22 3.46 o