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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + XL - CRYSTAL STRUCTURE REFINEMENT - SHELXTL Version 2008/1 + + Copyright(c) 2008 Bruker Analytical X-ray Solutions All Rights Reserved + + i11924 started at 17:05:09 on 16-Dec-2009 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL i11924 in C2/c CELL 0.71073 22.5328 19.2081 18.4283 90.000 108.771 90.000 ZERR 8.00 0.0007 0.0006 0.0006 0.000 0.002 0.000 LATT 7 SYMM -X, Y, 0.5-Z SFAC C H N B F Cl UNIT 296 232 24 8 120 16 V = 7551.77 F(000) = 3568.0 Mu = 0.28 mm-1 Cell Wt = 7058.74 Rho = 1.552 TEMP 23.000 L.S. 40 BOND FMAP 2 PLAN 20 ACTA 50 CONF WPDB OMIT -1 5 1 OMIT -1 1 2 OMIT 1 1 0 EADP C37 C37' EADP CL1 CL1' EADP CL2 CL2' SADI CL1 CL2 CL1' CL2' WGHT 0.097500 10.503100 FVAR 0.05279 0.86768 B1 4 0.332269 0.241200 0.738239 11.00000 0.01707 0.01807 = 0.01660 0.00074 0.00592 -0.00205 N1 3 0.271954 0.223007 0.845185 11.00000 0.01801 0.02472 = 0.01849 0.00111 0.00708 -0.00405 N2 3 0.213393 0.218522 0.726862 11.00000 0.01700 0.02173 = 0.01953 0.00185 0.00532 -0.00262 N3 3 0.109613 0.132513 0.619493 11.00000 0.01603 0.02218 = 0.02349 0.00581 -0.00087 -0.00343 H3 2 0.077199 0.149357 0.589312 11.00000 -1.20000 F1 5 0.383690 0.349775 0.849500 11.00000 0.02597 0.02067 = 0.02011 -0.00176 0.00668 -0.00043 F2 5 0.488921 0.349685 0.965682 11.00000 0.02860 0.03077 = 0.02157 -0.00778 0.00290 -0.00858 F3 5 0.567389 0.238166 0.992659 11.00000 0.02213 0.04643 = 0.02901 -0.00504 -0.00637 -0.00265 F4 5 0.538226 0.127661 0.894566 11.00000 0.02334 0.03924 = 0.04035 -0.00388 -0.00021 0.01035 F5 5 0.435772 0.126421 0.777002 11.00000 0.02543 0.02647 = 0.02933 -0.00849 0.00142 0.00437 F6 5 0.234122 0.360110 0.710039 11.00000 0.02250 0.02336 = 0.02845 0.00197 0.00753 0.00130 F7 5 0.243009 0.481373 0.649125 11.00000 0.04693 0.01976 = 0.02898 0.00176 0.00361 0.00676 F8 5 0.345199 0.514796 0.607585 11.00000 0.08023 0.02190 = 0.03944 0.00663 0.02623 -0.01150 F9 5 0.438609 0.418512 0.628159 11.00000 0.05383 0.04401 = 0.04400 0.00188 0.03110 -0.02134 F10 5 0.428368 0.293579 0.683284 11.00000 0.02451 0.03361 = 0.02798 -0.00020 0.01382 -0.00373 F11 5 0.320457 0.250208 0.565015 11.00000 0.03852 0.02514 = 0.01870 0.00055 0.00921 -0.00782 F12 5 0.310797 0.144442 0.472639 11.00000 0.04324 0.04022 = 0.01761 -0.00747 0.00943 -0.00798 F13 5 0.303268 0.011703 0.520612 11.00000 0.04998 0.03054 = 0.03094 -0.01577 0.00893 -0.00240 F14 5 0.308710 -0.011150 0.668610 11.00000 0.04837 0.01841 = 0.03616 -0.00226 0.00752 -0.00316 F15 5 0.318019 0.094521 0.763458 11.00000 0.03391 0.02122 = 0.02034 0.00264 0.00702 -0.00280 C1 1 0.319852 0.304264 0.948620 11.00000 0.02477 0.02815 = 0.02022 -0.00006 0.01369 -0.00056 C2 1 0.364311 0.318291 1.019105 11.00000 0.02669 0.02996 = 0.02152 -0.00269 0.01389 -0.00436 AFIX 43 H2A 2 0.366969 0.363091 1.039043 11.00000 -1.20000 AFIX 0 C3 1 0.405013 0.267396 1.060836 11.00000 0.02574 0.03424 = 0.01803 0.00139 0.00984 -0.00572 C4 1 0.399874 0.200524 1.030735 11.00000 0.02522 0.02926 = 0.01956 0.00503 0.00625 -0.00168 AFIX 43 H4A 2 0.425899 0.165739 1.058987 11.00000 -1.20000 AFIX 0 C5 1 0.357029 0.183951 0.959667 11.00000 0.02461 0.02634 = 0.02113 0.00335 0.01023 -0.00632 C6 1 0.319108 0.237669 0.918135 11.00000 0.01877 0.02732 = 0.01538 0.00134 0.00729 -0.00437 C7 1 0.273532 0.359248 0.908154 11.00000 0.03114 0.03326 = 0.02668 -0.00039 0.01193 0.00592 AFIX 137 H7A 2 0.271006 0.360983 0.855180 11.00000 -1.50000 H7B 2 0.286954 0.403664 0.931574 11.00000 -1.50000 H7C 2 0.233056 0.348209 0.911867 11.00000 -1.50000 AFIX 0 C8 1 0.452459 0.283707 1.137353 11.00000 0.03601 0.04312 = 0.02109 -0.00176 0.00527 -0.00406 AFIX 137 H8A 2 0.453624 0.246395 1.172444 11.00000 -1.50000 H8B 2 0.440994 0.326156 1.156924 11.00000 -1.50000 H8C 2 0.493063 0.288989 1.131561 11.00000 -1.50000 AFIX 0 C9 1 0.352635 0.110280 0.931556 11.00000 0.04248 0.02512 = 0.02492 0.00626 0.00778 -0.00564 AFIX 137 H9A 2 0.365923 0.079199 0.974568 11.00000 -1.50000 H9B 2 0.379121 0.104416 0.900310 11.00000 -1.50000 H9C 2 0.310047 0.100051 0.901791 11.00000 -1.50000 AFIX 0 C10 1 0.273190 0.229477 0.771803 11.00000 0.01880 0.01852 = 0.01826 0.00072 0.00562 -0.00225 C11 1 0.211597 0.208360 0.843855 11.00000 0.02355 0.04060 = 0.02488 -0.00040 0.01332 -0.00930 AFIX 43 H11A 2 0.198661 0.201393 0.886408 11.00000 -1.20000 AFIX 0 C12 1 0.175248 0.205981 0.770973 11.00000 0.01937 0.03589 = 0.02603 0.00013 0.01051 -0.00625 AFIX 43 H12A 2 0.132340 0.197492 0.753123 11.00000 -1.20000 AFIX 0 C13 1 0.187662 0.226435 0.643092 11.00000 0.01824 0.02267 = 0.01820 0.00287 0.00281 -0.00364 AFIX 23 H13A 2 0.219814 0.245516 0.624284 11.00000 -1.20000 H13B 2 0.153170 0.259312 0.630880 11.00000 -1.20000 AFIX 0 C14 1 0.164485 0.157891 0.602198 11.00000 0.01864 0.02300 = 0.01883 0.00134 0.00161 -0.00314 AFIX 23 H14A 2 0.153964 0.164520 0.547319 11.00000 -1.20000 H14B 2 0.197657 0.123458 0.618030 11.00000 -1.20000 AFIX 0 C15 1 0.102818 0.055911 0.622219 11.00000 0.02924 0.02592 = 0.02115 0.00439 0.00243 -0.00773 C16 1 0.154615 0.027293 0.690791 11.00000 0.03926 0.02797 = 0.02714 0.00726 -0.00118 -0.00447 AFIX 137 H16A 2 0.194446 0.034343 0.683365 11.00000 -1.50000 H16B 2 0.148015 -0.021590 0.695896 11.00000 -1.50000 H16C 2 0.154087 0.051058 0.736407 11.00000 -1.50000 AFIX 0 C17 1 0.039387 0.043345 0.633449 11.00000 0.03421 0.04086 = 0.04579 0.00644 0.01030 -0.01515 AFIX 137 H17A 2 0.038944 0.065041 0.680202 11.00000 -1.50000 H17B 2 0.032609 -0.005799 0.636104 11.00000 -1.50000 H17C 2 0.006751 0.062899 0.591098 11.00000 -1.50000 AFIX 0 C18 1 0.104040 0.020072 0.549070 11.00000 0.04571 0.02477 = 0.02944 0.00216 0.00419 -0.00379 AFIX 137 H18A 2 0.143941 0.027823 0.542084 11.00000 -1.50000 H18B 2 0.071409 0.038791 0.506131 11.00000 -1.50000 H18C 2 0.097540 -0.029008 0.552847 11.00000 -1.50000 AFIX 0 C19 1 0.419866 0.292039 0.858598 11.00000 0.01748 0.02177 = 0.01691 0.00186 0.00667 -0.00140 C20 1 0.474128 0.293732 0.919377 11.00000 0.02277 0.02454 = 0.01744 -0.00397 0.00704 -0.00843 C21 1 0.514316 0.237675 0.933083 11.00000 0.01579 0.03489 = 0.01883 -0.00012 0.00033 -0.00438 C22 1 0.499070 0.182343 0.883704 11.00000 0.01651 0.02809 = 0.02780 -0.00069 0.00428 0.00231 C23 1 0.444078 0.182973 0.822910 11.00000 0.01952 0.02176 = 0.02126 -0.00309 0.00627 -0.00326 C24 1 0.400079 0.236484 0.808005 11.00000 0.01769 0.02167 = 0.01658 0.00004 0.00706 -0.00362 C25 1 0.285439 0.370158 0.688487 11.00000 0.02469 0.02027 = 0.01510 -0.00206 0.00331 -0.00481 C26 1 0.288555 0.434741 0.656740 11.00000 0.03817 0.01677 = 0.01629 -0.00129 0.00245 -0.00154 C27 1 0.340057 0.451378 0.635772 11.00000 0.05370 0.02037 = 0.01875 0.00148 0.01108 -0.01182 C28 1 0.387059 0.403185 0.646626 11.00000 0.03758 0.02870 = 0.02226 -0.00159 0.01460 -0.01467 C29 1 0.381572 0.339100 0.677244 11.00000 0.02437 0.02473 = 0.01843 -0.00113 0.00771 -0.00405 C30 1 0.330580 0.318802 0.699159 11.00000 0.02124 0.02008 = 0.01406 -0.00021 0.00390 -0.00638 C31 1 0.320072 0.186943 0.596335 11.00000 0.02082 0.02174 = 0.02069 -0.00098 0.00638 -0.00435 C32 1 0.313550 0.131974 0.545233 11.00000 0.02278 0.03369 = 0.01605 -0.00395 0.00453 -0.00239 C33 1 0.310004 0.064950 0.569199 11.00000 0.02331 0.02742 = 0.02674 -0.01235 0.00357 -0.00190 C34 1 0.312600 0.053804 0.643865 11.00000 0.02402 0.01983 = 0.02710 -0.00228 0.00271 -0.00202 C35 1 0.318391 0.109765 0.691990 11.00000 0.01920 0.02325 = 0.01756 0.00065 0.00301 -0.00059 C36 1 0.324023 0.178982 0.672663 11.00000 0.01320 0.02048 = 0.01820 -0.00106 0.00295 -0.00206 PART -1 SAME C37' > CL2' C37 1 0.591390 0.058898 1.166296 21.00000 0.06815 0.07065 = 0.11078 -0.00948 0.01487 0.00523 AFIX 23 H37A 2 0.635293 0.052649 1.171534 21.00000 -1.20000 H37B 2 0.578292 0.019222 1.189961 21.00000 -1.20000 AFIX 0 CL1 6 0.549359 0.060978 1.073012 21.00000 0.20363 0.19365 = 0.09356 0.01545 0.00697 0.13110 CL2 6 0.582961 0.134666 1.214568 21.00000 0.11560 0.08509 = 0.19407 -0.03159 0.06833 0.00801 PART -2 SAME C37 > CL2 C37' 1 0.542008 0.042958 1.306181 -21.00000 0.06815 0.07065 = 0.11078 -0.00948 0.01487 0.00523 AFIX 23 H37C 2 0.542828 -0.006163 1.294326 -21.00000 -1.20000 H37D 2 0.579293 0.052928 1.349125 -21.00000 -1.20000 AFIX 0 CL1' 6 0.477693 0.058725 1.333554 -21.00000 0.20363 0.19365 = 0.09356 0.01545 0.00697 0.13110 CL2' 6 0.545152 0.090273 1.228529 -21.00000 0.11560 0.08509 = 0.19407 -0.03159 0.06833 0.00801 HKLF 4 Covalent radii and connectivity table for i11924 in C2/c C 0.770 H 0.320 N 0.700 B 0.820 F 0.640 CL 0.990 B1 - C30 C24 C10 C36 N1 - C10 C11 C6 N2 - C10 C12 C13 N3 - C14 C15 F1 - C19 F2 - C20 F3 - C21 F4 - C22 F5 - C23 F6 - C25 F7 - C26 F8 - C27 F9 - C28 F10 - C29 F11 - C31 F12 - C32 F13 - C33 F14 - C34 F15 - C35 C1 - C2 C6 C7 C2 - C1 C3 C3 - C4 C2 C8 C4 - C3 C5 C5 - C4 C6 C9 C6 - C1 C5 N1 C7 - C1 C8 - C3 C9 - C5 C10 - N2 N1 B1 C11 - C12 N1 C12 - C11 N2 C13 - N2 C14 C14 - N3 C13 C15 - N3 C16 C18 C17 C16 - C15 C17 - C15 C18 - C15 C19 - F1 C20 C24 C20 - F2 C19 C21 C21 - F3 C22 C20 C22 - F4 C21 C23 C23 - F5 C22 C24 C24 - C19 C23 B1 C25 - F6 C26 C30 C26 - F7 C27 C25 C27 - F8 C28 C26 C28 - F9 C27 C29 C29 - F10 C28 C30 C30 - C25 C29 B1 C31 - F11 C36 C32 C32 - F12 C33 C31 C33 - F13 C32 C34 C34 - F14 C35 C33 C35 - F15 C34 C36 C36 - C31 C35 B1 C37 - Cl1 Cl2 Cl1 - C37 Cl2 - C37 C37' - Cl1' Cl2' Cl1' - C37' Cl2' - C37' 32556 Reflections read, of which 527 rejected -25 =< h =< 28, -24 =< k =< 24, -23 =< l =< 21, Max. 2-theta = 54.21 0 Systematic absence violations 0 Inconsistent equivalents 8289 Unique reflections, of which 0 suppressed R(int) = 0.0367 R(sigma) = 0.0390 Friedel opposites merged Maximum memory for data reduction = 5208 / 98814 Default effective X-H distances for T = 23.0 C AFIX m = 1 2 3 4 4[N] 3[N] 15[B] 8[O] 9 9[N] 16 d(X-H) = 0.98 0.97 0.96 0.93 0.86 0.89 1.10 0.82 0.93 0.86 0.93 Note that these distances are chosen to give the best fit to the X-ray data and so avoid the introduction of systematic error. The true internuclear distances are longer and do not vary with temperature ! The apparent variation with temperature is caused by libration. Least-squares cycle 1 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1844 before cycle 1 for 8289 data and 542 / 542 parameters Summary of restraints applied in cycle 1 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.034 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.086; Restrained GooF = 1.086 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05279 0.00012 -0.016 OSF 2 0.86758 0.00217 -0.046 FVAR 2 Mean shift/esd = 0.012 Maximum = -0.900 for z Cl1' Max. shift = 0.013 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 2 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1844 before cycle 2 for 8289 data and 542 / 542 parameters Summary of restraints applied in cycle 2 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.032 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.086; Restrained GooF = 1.086 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05279 0.00012 -0.014 OSF 2 0.86744 0.00217 -0.066 FVAR 2 Mean shift/esd = 0.016 Maximum = -1.252 for z Cl1' Max. shift = 0.018 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 3 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1844 before cycle 3 for 8289 data and 542 / 542 parameters Summary of restraints applied in cycle 3 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 -0.001 OSF 2 0.85695 0.00230 -0.011 FVAR 2 Mean shift/esd = 0.003 Maximum = -0.220 for z Cl1' Max. shift = 0.003 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 30 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 30 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 30 Observed Target Error Sigma Restraint 0.1069 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 30 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.001 OSF 2 0.85693 0.00230 -0.008 FVAR 2 Mean shift/esd = 0.002 Maximum = -0.170 for z Cl1' Max. shift = 0.002 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 31 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 31 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 31 Observed Target Error Sigma Restraint 0.1070 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 31 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.003 OSF 2 0.85692 0.00230 -0.006 FVAR 2 Mean shift/esd = 0.002 Maximum = -0.131 for z Cl1' Max. shift = 0.002 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 32 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 32 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 32 Observed Target Error Sigma Restraint 0.1071 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 32 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85691 0.00230 -0.004 FVAR 2 Mean shift/esd = 0.002 Maximum = -0.101 for z Cl1' Max. shift = 0.001 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 33 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 33 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 33 Observed Target Error Sigma Restraint 0.1072 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 33 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85690 0.00230 -0.003 FVAR 2 Mean shift/esd = 0.001 Maximum = -0.078 for z Cl1' Max. shift = 0.001 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 34 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 34 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 34 Observed Target Error Sigma Restraint 0.1072 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 34 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85690 0.00230 -0.002 FVAR 2 Mean shift/esd = 0.001 Maximum = -0.060 for z Cl1' Max. shift = 0.001 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 35 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 35 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 35 Observed Target Error Sigma Restraint 0.1073 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 35 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.069; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85689 0.00230 -0.002 FVAR 2 Mean shift/esd = 0.001 Maximum = -0.046 for z Cl1' Max. shift = 0.001 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 36 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 36 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 36 Observed Target Error Sigma Restraint 0.1073 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 36 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.069; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.001 OSF 2 0.85689 0.00230 -0.001 FVAR 2 Mean shift/esd = 0.001 Maximum = -0.035 for z Cl1' Max. shift = 0.001 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 37 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 37 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 37 Observed Target Error Sigma Restraint 0.1073 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 37 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.069; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85689 0.00230 -0.001 FVAR 2 Mean shift/esd = 0.000 Maximum = -0.027 for z Cl1' Max. shift = 0.000 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 38 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 38 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 38 Observed Target Error Sigma Restraint 0.1074 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 38 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.069; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 -0.001 OSF 2 0.85689 0.00230 -0.001 FVAR 2 Mean shift/esd = 0.000 Maximum = -0.021 for z Cl1' Max. shift = 0.000 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 39 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 39 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 39 Observed Target Error Sigma Restraint 0.1074 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 39 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.069; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85689 0.00230 -0.001 FVAR 2 Mean shift/esd = 0.000 Maximum = -0.016 for z Cl1' Max. shift = 0.000 A for Cl1' Max. dU = 0.000 for C37 Least-squares cycle 40 Maximum vector length = 511 Memory required = 6659 / 727200 wR2 = 0.1816 before cycle 40 for 8289 data and 542 / 542 parameters Disagreeable restraints before cycle 40 Observed Target Error Sigma Restraint 0.1074 0.0200 SAME/SADI Cl1 Cl2 Cl1' Cl2' Summary of restraints applied in cycle 40 ANTIBUMP DFIX DANG SAME/SADI CHIV/Z CHIV/NZ FLAT DELU SIMU ISOR SUMP Number 0. 0. 0. 4. 0. 0. 0. 0. 0. 0. 0. rms sigma 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 rms deviation 0.000 0.000 0.000 0.079 0.000 0.000 0.000 0.000 0.000 0.000 0.000 GooF = S = 1.070; Restrained GooF = 1.072 for 4 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0975 * P )^2 + 10.50 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.05272 0.00012 0.000 OSF 2 0.85689 0.00230 0.000 FVAR 2 Mean shift/esd = 0.000 Maximum = -0.012 for z Cl1' Max. shift = 0.000 A for Cl1' Max. dU = 0.000 for C37 Largest correlation matrix elements 0.665 U12 Cl1 / U22 Cl1 0.543 U13 C11 / U11 C11 0.522 U13 C3 / U11 C3 0.648 U12 Cl1 / U11 Cl1 0.541 U13 Cl2 / U11 Cl2 0.522 U13 F8 / U33 F8 0.607 U13 F9 / U11 F9 0.538 U13 C28 / U11 C28 0.519 U13 C28 / U33 C28 0.584 U13 F9 / U33 F9 0.535 U13 C2 / U11 C2 0.519 U13 F10 / U11 F10 0.569 y Cl1 / x Cl1 0.530 U13 C1 / U33 C1 0.518 U13 C2 / U33 C2 0.555 z C37' / x C37' 0.529 U13 F8 / U11 F8 0.518 U13 F10 / U33 F10 0.553 U13 Cl1 / U23 Cl1 ) F3 - F4 - Distance Angles C22 1.3440 (0.0030) F4 - F5 - Distance Angles C23 1.3520 (0.0028) F5 - F6 - Distance Angles C25 1.3527 (0.0028) F6 - F7 - Distance Angles C26 1.3351 (0.0031) F7 - F8 - Distance Angles C27 1.3440 (0.0029) F8 - F9 - Distance Angles C28 1.3439 (0.0030) F9 - F10 - Distance Angles C29 1.3471 (0.0030) F10 - F11 - Distance Angles C31 1.3448 (0.0028) F11 - F12 - Distance Angles C32 1.3417 (0.0028) F12 - F13 - Distance Angles C33 1.3344 (0.0028) F13 - F14 - Distance Angles C34 1.3406 (0.0030) F14 - F15 - Distance Angles C35 1.3523 (0.0027) F15 - C1 - Distance Angles C2 1.3925 (0.0036) C6 1.3940 (0.0035) 117.67 (0.24) C7 1.4972 (0.0037) 120.22 (0.23) 122.10 (0.23) C1 - C2 C6 C2 - Distance Angles C1 1.3925 (0.0036) C3 1.3883 (0.0038) 121.93 (0.24) C2 - C1 C3 - Distance Angles C4 1.3871 (0.0038) C2 1.3883 (0.0038) 118.45 (0.24) C8 1.5028 (0.0038) 120.68 (0.25) 120.86 (0.25) C3 - C4 C2 C4 - Distance Angles C3 1.3871 (0.0038) C5 1.3888 (0.0037) 122.14 (0.25) C4 - C3 C5 - Distance Angles C4 1.3888 (0.0037) C6 1.4030 (0.0036) 117.51 (0.24) C9 1.5001 (0.0037) 119.51 (0.24) 122.97 (0.23) C5 - C4 C6 C6 - Distance Angles C1 1.3940 (0.0035) C5 1.4030 (0.0036) 122.00 (0.23) N1 1.4481 (0.0032) 117.49 (0.22) 120.07 (0.22) C6 - C1 C5 C7 - Distance Angles C1 1.4972 (0.0037) C7 - C8 - Distance Angles C3 1.5028 (0.0038) C8 - C9 - Distance Angles C5 1.5001 (0.0037) C9 - C10 - Distance Angles N2 1.3523 (0.0031) N1 1.3660 (0.0029) 104.98 (0.19) B1 1.6546 (0.0034) 123.73 (0.20) 131.10 (0.21) C10 - N2 N1 C11 - Distance Angles C12 1.3323 (0.0037) N1 1.3810 (0.0032) 107.82 (0.21) C11 - C12 C12 - Distance Angles C11 1.3323 (0.0037) N2 1.3813 (0.0030) 106.90 (0.22) C12 - C11 C13 - Distance Angles N2 1.4733 (0.0030) C14 1.5238 (0.0034) 112.64 (0.19) C13 - N2 C14 - Distance Angles N3 1.4577 (0.0031) C13 1.5238 (0.0034) 111.12 (0.20) C14 - N3 C15 - Distance Angles N3 1.4820 (0.0034) C16 1.5190 (0.0038) 109.20 (0.22) C18 1.5243 (0.0038) 112.79 (0.21) 110.20 (0.24) C17 1.5307 (0.0040) 105.79 (0.23) 109.30 (0.23) 109.43 (0.24) C15 - N3 C16 C18 C16 - Distance Angles C15 1.5190 (0.0038) C16 - C17 - Distance Angles C15 1.5307 (0.0040) C17 - C18 - Distance Angles C15 1.5243 (0.0039) C18 - C19 - Distance Angles F1 1.3529 (0.0028) C20 1.3713 (0.0035) 115.15 (0.21) C24 1.3911 (0.0033) 119.81 (0.21) 125.04 (0.23) C19 - F1 C20 C20 - Distance Angles F2 1.3457 (0.0027) C19 1.3713 (0.0035) 120.77 (0.23) C21 1.3748 (0.0038) 119.62 (0.23) 119.61 (0.23) C20 - F2 C19 C21 - Distance Angles F3 1.3375 (0.0029) C22 1.3701 (0.0037) 121.07 (0.24) C20 1.3748 (0.0038) 120.48 (0.23) 118.45 (0.24) C21 - F3 C22 C22 - Distance Angles F4 1.3440 (0.0030) C21 1.3701 (0.0037) 119.79 (0.23) C23 1.3807 (0.0036) 120.16 (0.23) 120.05 (0.24) C22 - F4 C21 C23 - Distance Angles F5 1.3520 (0.0028) C22 1.3807 (0.0036) 114.09 (0.21) C24 1.3915 (0.0034) 121.68 (0.22) 124.24 (0.23) C23 - F5 C22 C24 - Distance Angles C19 1.3911 (0.0033) C23 1.3915 (0.0034) 112.47 (0.22) B1 1.6525 (0.0037) 119.63 (0.21) 127.85 (0.21) C24 - C19 C23 C25 - Distance Angles F6 1.3527 (0.0028) C26 1.3845 (0.0034) 114.60 (0.22) C30 1.3836 (0.0036) 121.08 (0.20) 124.32 (0.23) C25 - F6 C26 C26 - Distance Angles F7 1.3351 (0.0031) C27 1.3722 (0.0040) 120.41 (0.23) C25 1.3845 (0.0034) 120.20 (0.24) 119.33 (0.25) C26 - F7 C27 C27 - Distance Angles F8 1.3440 (0.0029) C28 1.3765 (0.0043) 120.66 (0.26) C26 1.3722 (0.0040) 120.33 (0.27) 118.97 (0.23) C27 - F8 C28 C28 - Distance Angles F9 1.3439 (0.0030) C27 1.3765 (0.0043) 120.22 (0.23) C29 1.3735 (0.0035) 120.13 (0.26) 119.65 (0.24) C28 - F9 C27 C29 - Distance Angles F10 1.3471 (0.0030) C28 1.3735 (0.0036) 116.22 (0.22) C30 1.3907 (0.0033) 119.49 (0.22) 124.26 (0.25) C29 - F10 C28 C30 - Distance Angles C25 1.3836 (0.0036) C29 1.3907 (0.0033) 113.42 (0.22) B1 1.6520 (0.0034) 128.18 (0.21) 118.27 (0.22) C30 - C25 C29 C31 - Distance Angles F11 1.3448 (0.0028) C36 1.3903 (0.0033) 121.76 (0.21) C32 1.3897 (0.0035) 114.27 (0.21) 123.94 (0.23) C31 - F11 C36 C32 - Distance Angles F12 1.3417 (0.0028) C33 1.3720 (0.0039) 119.94 (0.23) C31 1.3897 (0.0035) 119.97 (0.23) 120.09 (0.22) C32 - F12 C33 C33 - Distance Angles F13 1.3344 (0.0028) C32 1.3720 (0.0039) 120.64 (0.24) C34 1.3772 (0.0037) 120.80 (0.25) 118.56 (0.23) C33 - F13 C32 C34 - Distance Angles F14 1.3406 (0.0030) C35 1.3696 (0.0035) 120.95 (0.23) C33 1.3772 (0.0037) 119.73 (0.23) 119.31 (0.24) C34 - F14 C35 C35 - Distance Angles F15 1.3523 (0.0027) C34 1.3696 (0.0035) 115.56 (0.22) C36 1.3928 (0.0034) 118.92 (0.21) 125.52 (0.22) C35 - F15 C34 C36 - Distance Angles C31 1.3903 (0.0033) C35 1.3928 (0.0034) 112.52 (0.21) B1 1.6671 (0.0035) 127.59 (0.21) 119.87 (0.20) C36 - C31 C35 C37 - Distance Angles Cl1 1.6784 (0.0067) Cl2 1.7488 (0.0060) 112.05 (0.36) C37 - Cl1 Cl1 - Distance Angles C37 1.6784 (0.0067) Cl1 - Cl2 - Distance Angles C37 1.7488 (0.0060) Cl2 - C37' - Distance Angles Cl1' 1.7154 (0.0186) Cl2' 1.7237 (0.0191) 105.36 (1.29) C37' - Cl1' Cl1' - Distance Angles C37' 1.7154 (0.0187) Cl1' - Cl2' - Distance Angles C37' 1.7237 (0.0192) Cl2' - Selected torsion angles -3.45 ( 0.35) C6 - C1 - C2 - C3 175.32 ( 0.22) C7 - C1 - C2 - C3 -0.83 ( 0.36) C1 - C2 - C3 - C4 -179.54 ( 0.23) C1 - C2 - C3 - C8 2.18 ( 0.37) C2 - C3 - C4 - C5 -179.11 ( 0.24) C8 - C3 - C4 - C5 0.83 ( 0.36) C3 - C4 - C5 - C6 -178.29 ( 0.23) C3 - C4 - C5 - C9 6.64 ( 0.34) C2 - C1 - C6 - C5 -172.10 ( 0.22) C7 - C1 - C6 - C5 179.04 ( 0.20) C2 - C1 - C6 - N1 0.30 ( 0.33) C7 - C1 - C6 - N1 -5.37 ( 0.35) C4 - C5 - C6 - C1 173.72 ( 0.23) C9 - C5 - C6 - C1 -177.58 ( 0.21) C4 - C5 - C6 - N1 1.51 ( 0.35) C9 - C5 - C6 - N1 90.74 ( 0.31) C10 - N1 - C6 - C1 -79.32 ( 0.29) C11 - N1 - C6 - C1 -96.70 ( 0.30) C10 - N1 - C6 - C5 93.23 ( 0.28) C11 - N1 - C6 - C5 0.40 ( 0.27) C12 - N2 - C10 - N1 173.34 ( 0.21) C13 - N2 - C10 - N1 175.90 ( 0.22) C12 - N2 - C10 - B1 -11.16 ( 0.37) C13 - N2 - C10 - B1 -0.11 ( 0.27) C11 - N1 - C10 - N2 -170.86 ( 0.23) C6 - N1 - C10 - N2 -175.14 ( 0.24) C11 - N1 - C10 - B1 14.11 ( 0.42) C6 - N1 - C10 - B1 73.74 ( 0.28) C30 - B1 - C10 - N2 -168.02 ( 0.21) C24 - B1 - C10 - N2 -46.17 ( 0.29) C36 - B1 - C10 - N2 -112.03 ( 0.27) C30 - B1 - C10 - N1 6.20 ( 0.35) C24 - B1 - C10 - N1 128.06 ( 0.26) C36 - B1 - C10 - N1 -0.21 ( 0.31) C10 - N1 - C11 - C12 171.86 ( 0.23) C6 - N1 - C11 - C12 0.45 ( 0.31) N1 - C11 - C12 - N2 -0.54 ( 0.30) C10 - N2 - C12 - C11 -173.93 ( 0.23) C13 - N2 - C12 - C11 115.78 ( 0.26) C10 - N2 - C13 - C14 -71.99 ( 0.29) C12 - N2 - C13 - C14 -147.36 ( 0.21) C15 - N3 - C14 - C13 67.59 ( 0.26) N2 - C13 - C14 - N3 67.76 ( 0.28) C14 - N3 - C15 - C16 -55.11 ( 0.31) C14 - N3 - C15 - C18 -174.71 ( 0.22) C14 - N3 - C15 - C17 0.05 ( 0.31) F1 - C19 - C20 - F2 -179.18 ( 0.21) C24 - C19 - C20 - F2 -179.47 ( 0.20) F1 - C19 - C20 - C21 1.29 ( 0.36) C24 - C19 - C20 - C21 1.00 ( 0.35) F2 - C20 - C21 - F3 -179.47 ( 0.21) C19 - C20 - C21 - F3 -177.99 ( 0.22) F2 - C20 - C21 - C22 1.54 ( 0.36) C19 - C20 - C21 - C22 -0.60 ( 0.38) F3 - C21 - C22 - F4 178.38 ( 0.22) C20 - C21 - C22 - F4 179.73 ( 0.22) F3 - C21 - C22 - C23 -1.28 ( 0.37) C20 - C21 - C22 - C23 -1.94 ( 0.33) F4 - C22 - C23 - F5 177.73 ( 0.22) C21 - C22 - C23 - F5 178.50 ( 0.22) F4 - C22 - C23 - C24 -1.83 ( 0.39) C21 - C22 - C23 - C24 176.81 ( 0.19) F1 - C19 - C24 - C23 -3.99 ( 0.33) C20 - C19 - C24 - C23 -0.77 ( 0.31) F1 - C19 - C24 - B1 178.43 ( 0.21) C20 - C19 - C24 - B1 -175.29 ( 0.20) F5 - C23 - C24 - C19 4.24 ( 0.33) C22 - C23 - C24 - C19 2.04 ( 0.36) F5 - C23 - C24 - B1 -178.43 ( 0.22) C22 - C23 - C24 - B1 46.09 ( 0.26) C30 - B1 - C24 - C19 -75.80 ( 0.26) C10 - B1 - C24 - C19 166.97 ( 0.20) C36 - B1 - C24 - C19 -131.08 ( 0.24) C30 - B1 - C24 - C23 107.03 ( 0.26) C10 - B1 - C24 - C23 -10.20 ( 0.32) C36 - B1 - C24 - C23 -0.08 ( 0.33) F6 - C25 - C26 - F7 -179.63 ( 0.22) C30 - C25 - C26 - F7 177.31 ( 0.21) F6 - C25 - C26 - C27 -2.25 ( 0.38) C30 - C25 - C26 - C27 -0.08 ( 0.37) F7 - C26 - C27 - F8 -177.46 ( 0.22) C25 - C26 - C27 - F8 177.79 ( 0.23) F7 - C26 - C27 - C28 0.42 ( 0.38) C25 - C26 - C27 - C28 -0.86 ( 0.39) F8 - C27 - C28 - F9 -178.73 ( 0.23) C26 - C27 - C28 - F9 178.75 ( 0.23) F8 - C27 - C28 - C29 0.89 ( 0.40) C26 - C27 - C28 - C29 -2.98 ( 0.36) F9 - C28 - C29 - F10 177.40 ( 0.23) C27 - C28 - C29 - F10 179.08 ( 0.23) F9 - C28 - C29 - C30 -0.54 ( 0.41) C27 - C28 - C29 - C30 -177.05 ( 0.20) F6 - C25 - C30 - C29 2.48 ( 0.35) C26 - C25 - C30 - C29 -1.22 ( 0.37) F6 - C25 - C30 - B1 178.30 ( 0.23) C26 - C25 - C30 - B1 -178.95 ( 0.21) F10 - C29 - C30 - C25 -1.08 ( 0.36) C28 - C29 - C30 - C25 4.77 ( 0.33) F10 - C29 - C30 - B1 -177.35 ( 0.23) C28 - C29 - C30 - B1 -124.70 ( 0.25) C24 - B1 - C30 - C25 -3.66 ( 0.34) C10 - B1 - C30 - C25 113.00 ( 0.26) C36 - B1 - C30 - C25 50.95 ( 0.26) C24 - B1 - C30 - C29 171.99 ( 0.21) C10 - B1 - C30 - C29 -71.35 ( 0.27) C36 - B1 - C30 - C29 2.48 ( 0.35) F11 - C31 - C32 - F12 -179.32 ( 0.23) C36 - C31 - C32 - F12 -177.38 ( 0.23) F11 - C31 - C32 - C33 0.82 ( 0.41) C36 - C31 - C32 - C33 -0.45 ( 0.40) F12 - C32 - C33 - F13 179.41 ( 0.24) C31 - C32 - C33 - F13 -179.68 ( 0.24) F12 - C32 - C33 - C34 0.18 ( 0.40) C31 - C32 - C33 - C34 0.24 ( 0.40) F13 - C33 - C34 - F14 179.47 ( 0.24) C32 - C33 - C34 - F14 -178.73 ( 0.24) F13 - C33 - C34 - C35 0.50 ( 0.40) C32 - C33 - C34 - C35 -1.59 ( 0.36) F14 - C34 - C35 - F15 177.36 ( 0.23) C33 - C34 - C35 - F15 178.74 ( 0.24) F14 - C34 - C35 - C36 -2.31 ( 0.42) C33 - C34 - C35 - C36 175.80 ( 0.22) F11 - C31 - C36 - C35 -2.27 ( 0.36) C32 - C31 - C36 - C35 -2.46 ( 0.38) F11 - C31 - C36 - B1 179.48 ( 0.24) C32 - C31 - C36 - B1 -176.60 ( 0.21) F15 - C35 - C36 - C31 3.05 ( 0.37) C34 - C35 - C36 - C31 1.80 ( 0.34) F15 - C35 - C36 - B1 -178.54 ( 0.24) C34 - C35 - C36 - B1 4.02 ( 0.34) C30 - B1 - C36 - C31 -114.30 ( 0.26) C24 - B1 - C36 - C31 125.06 ( 0.25) C10 - B1 - C36 - C31 -174.11 ( 0.21) C30 - B1 - C36 - C35 67.56 ( 0.27) C24 - B1 - C36 - C35 -53.08 ( 0.28) C10 - B1 - C36 - C35 FMAP and GRID set by program FMAP 2 2 25 GRID -1.136 -2 -1 1.136 2 1 R1 = 0.0804 for 8289 unique reflections after merging for Fourier Electron density synthesis with coefficients Fo-Fc Highest peak 0.88 at 0.4756 0.0328 0.3942 [ 1.09 A from CL1 ] Deepest hole -1.05 at 0.4360 0.1325 0.3176 [ 0.61 A from CL2 ] Mean = 0.00, Rms deviation from mean = 0.08 e/A^3, Highest memory used = 6573 / 59053 Fourier peaks appended to .res file x y z sof U Peak Distances to nearest atoms (including symmetry equivalents) Q1 1 0.5244 0.0328 1.1058 1.00000 0.05 0.88 1.09 CL1 1.64 C37 1.66 H37B 1.84 CL1' Q2 1 0.5639 0.1092 1.1048 1.00000 0.05 0.52 1.09 CL1 1.47 C37 1.98 CL2 2.01 H37A Q3 1 0.5624 0.0715 1.3040 1.00000 0.05 0.48 0.73 C37' 0.89 H37D 1.36 CL2' 1.52 H37C Q4 1 0.5085 0.0238 1.0082 1.00000 0.05 0.45 1.44 CL1 2.31 CL1 2.99 C37 3.12 F4 Q5 1 0.5121 0.0222 1.2403 1.00000 0.05 0.32 1.04 H37C 1.14 C37' 1.22 CL1' 1.23 C37' Q6 1 0.0732 0.0546 0.6272 1.00000 0.05 0.30 0.70 C15 0.84 C17 1.44 H17C 1.44 H17A Q7 1 0.3708 0.4336 0.6571 1.00000 0.05 0.28 0.75 C28 0.76 C27 1.80 F9 1.81 F8 Q8 1 0.3459 0.2071 0.9399 1.00000 0.05 0.27 0.58 C5 0.85 C6 1.73 C4 1.88 C9 Q9 1 0.3306 0.2777 0.7168 1.00000 0.05 0.27 0.80 B1 0.85 C30 1.94 C29 2.03 C25 Q10 1 0.3591 0.4236 0.6413 1.00000 0.05 0.27 0.67 C27 0.72 C28 1.72 C26 1.76 C29 Q11 1 0.3094 0.0583 0.6130 1.00000 0.05 0.26 0.56 C34 0.82 C33 1.68 F14 1.71 C35 Q12 1 0.5072 0.0535 1.3233 1.00000 0.05 0.26 0.96 CL1' 0.99 C37' 1.30 H37D 1.66 H37C Q13 1 0.3303 0.1592 0.5780 1.00000 0.05 0.26 0.71 C31 0.80 C32 1.77 F11 1.83 C36 Q14 1 0.3215 0.4452 0.6580 1.00000 0.05 0.26 0.68 C27 0.76 C26 1.76 C28 1.81 F8 Q15 1 0.1034 0.0389 0.5834 1.00000 0.05 0.25 0.73 C18 0.79 C15 1.37 H18B 1.38 H18A Q16 1 0.4976 0.2729 0.9149 1.00000 0.05 0.25 0.69 C20 0.79 C21 1.77 C19 1.79 F2 Q17 1 0.3405 0.4650 0.6240 1.00000 0.05 0.24 0.34 C27 1.02 F8 1.55 C28 1.59 C26 Q18 1 0.3326 0.1036 0.5625 1.0000117&34HI? 01<*50HK6R3'K<41 668.K76I3!J=2= 726.A66N3/J76= 445.K 66K3%I=;3 623.@66J2#I<;3 002.J 66J0/I=13 >20.@66M7'J0<= >19.M76F4/K5<< 6?8.L76J<%D.U;65'092 92IH9&3>I1-097*62HH1.9>D8P0.00?(L L 187,30N6.62?(L L 284"44O4.385 L L$R 4>6.J 477!18K0'E 0>7.L =77/?>H0'K ?>8.K <79.6N0'K 329.F <78(4:K0'K 310.L =70,26O0&M 2?0.K 472&76N0'D 7:9.G77<*=5)2:K0'J 6:8.N 2>6-0>);:M0'E 0:5.H4>='48I0'E 4:5.K1>:-0>I0&M R 48K2.0>7#N41: B48M;+5:7%N273 N48N8-980%M650 L48O=)9:7)L71< K47G3(D320 N.S K =14,46N9)>8;&M K 40?(40N8);00$L K :09,08N7)565"L K 501.50N6)700"L K 704.78N5)640$L K 10<*94N4)064&L K <05(08N3)282 L K595 24N0P4+58HH>!465 20M5/5LH8Q3'<67-E452 M48L2/7>8/D8=1 A48L;/2>4!D5<9 C48K:%=<5/D571 B S K794.64M8)784,M K19;,12M9)04:"L K198.86M9)72= L ,51/>8: L 1>1.760 251/;60&L 1>4.?<0 350/16:$L 1>5.420 350&200$L 1=?.4<0 350&284(L 1=?.;20 353&781 L 1=?.<:0 352&067$L 247.020 355&306 L P323 000 2<9.840 N52;,360 2<7.9<0 O522(740 T:96(84N7(:68$L J39<(14N8(=8<,L K298.66N9(?43(L K093,38N0(12? L K69;(30N1)64;.L K59?*36N2)001.L K:02(52N2)765"L ,60'504,L 273.=00 262'668,L 27>.540 364&>87*L 270.><0 366&<0;$L 271.320 369&42;&L 249.180 368&487,L 249.=60 371&084 L 248.780 371&>8;*L P <14*280 2>8.360 N <1=(640 2>:.160 O <10*300 T 81;*20N7*065$L J 817$86N6*841.L K 71<&18N5*:4?&L K 517.16N4)<26 L K 511.78N3)?8>,L K 618&08N2*000 L K 509(08N1*28? 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475.700 L 139.700 475.300 L 140.300 475.100 L 140.700 475.000 L 145.300 475.000 L 145.700 475.100 L 146.300 475.300 L 146.900 475.700 L 147.300 476.100 L 147.700 476.700 L 147.900 477.300 L 148.000 477.700 L 148.000 478.300 L 147.900 478.700 L 147.700 479.300 L 147.300 479.900 L 146.900 480.300 L 146.300 480.700 L 145.700 480.900 L S 146.300 483.880 M 146.900 484.280 L 147.300 484.680 L 147.700 485.280 L 147.900 485.880 L 148.000 486.280 L 148.000 486.880 L 147.900 487.280 L 147.700 487.880 L 147.300 488.480 L 146.900 488.880 L 146.300 489.280 L 145.700 489.480 L 145.300 489.580 L 140.700 489.580 L 140.300 489.480 L 139.700 489.280 L 139.100 488.880 L 138.700 488.480 L 138.300 487.880 L 138.100 487.380 L 138.000 486.880 L 138.000 486.280 L 138.100 485.880 L 138.300 485.280 L 138.700 484.680 L 139.100 484.280 L 139.700 483.880 L 140.300 483.680 L 140.700 483.580 L 141.300 483.580 L 141.700 483.680 L 142.300 483.880 L 142.900 484.280 L 143.300 484.680 L 143.700 485.280 L 143.900 485.880 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226.140 526.940 L 225.740 526.340 L 225.540 525.740 L 225.440 525.340 L 225.440 524.740 L 225.540 524.340 L 225.740 523.740 L 226.140 523.140 L 226.540 522.740 L 227.140 522.340 L 227.740 522.140 L 228.140 522.040 L 232.740 522.040 L 233.140 522.140 L 233.740 522.340 L 234.340 522.740 L 234.740 523.140 L 235.140 523.740 L 235.340 524.340 L 235.440 524.740 L S 171.680 507.600 M 171.080 507.400 L 170.480 507.000 L 170.080 506.600 L 169.680 506.000 L 169.480 505.400 L 169.380 505.000 L 169.380 504.400 L 169.480 504.000 L 169.680 503.400 L 170.080 502.800 L 170.480 502.400 L 171.080 502.000 L 171.680 501.800 L 172.080 501.700 L 176.680 501.700 L 177.080 501.800 L 177.680 502.000 L 178.280 502.400 L 178.680 502.800 L 179.080 503.400 L 179.280 504.000 L 179.380 504.400 L 179.380 505.000 L 179.280 505.400 L 179.080 506.000 L 178.680 506.600 L 178.280 507.000 L 177.680 507.400 L 177.080 507.600 L S 171.380 510.280 M 169.380 512.280 L 179.380 512.280 L S 171.380 515.360 M 169.380 517.360 L 179.380 517.360 L S 175.000 448.860 M 174.400 448.660 L 173.800 448.260 L 173.400 447.860 L 173.000 447.260 L 172.800 446.660 L 172.700 446.260 L 172.700 445.660 L 172.800 445.260 L 173.000 444.660 L 173.400 444.060 L 173.800 443.660 L 174.400 443.260 L 175.000 443.060 L 175.400 442.960 L 180.000 442.960 L 180.400 443.060 L 181.000 443.260 L 181.600 443.660 L 182.000 444.060 L 182.400 444.660 L 182.600 445.260 L 182.700 445.660 L 182.700 446.260 L 182.600 446.660 L 182.400 447.260 L 182.000 447.860 L 181.600 448.260 L 181.000 448.660 L 180.400 448.860 L S 174.700 451.540 M 172.700 453.540 L 182.700 453.540 L S 175.000 456.720 M 174.400 456.920 L 173.800 457.320 L 173.400 457.720 L 173.000 458.320 L 172.800 458.920 L 172.700 459.320 L 172.700 459.920 L 172.800 460.320 L 173.000 460.920 L 173.400 461.520 L 173.800 461.920 L 174.400 462.320 L 175.000 462.520 L 175.400 462.620 L 176.000 462.620 L 176.400 462.520 L 177.000 462.320 L 177.600 461.920 L 178.000 461.520 L 182.700 456.620 L 182.700 462.620 L S 233.060 412.160 M 232.460 411.960 L 231.860 411.560 L 231.460 411.160 L 231.060 410.560 L 230.860 409.960 L 230.760 409.560 L 230.760 408.960 L 230.860 408.560 L 231.060 407.960 L 231.460 407.360 L 231.860 406.960 L 232.460 406.560 L 233.060 406.360 L 233.460 406.260 L 238.060 406.260 L 238.460 406.360 L 239.060 406.560 L 239.660 406.960 L 240.060 407.360 L 240.460 407.960 L 240.660 408.560 L 240.760 408.960 L 240.760 409.560 L 240.660 409.960 L 240.460 410.560 L 240.060 411.160 L 239.660 411.560 L 239.060 411.960 L 238.460 412.160 L S 232.760 414.840 M 230.760 416.840 L 240.760 416.840 L S 239.060 420.220 M 239.660 420.620 L 240.060 421.020 L 240.460 421.620 L 240.660 422.220 L 240.760 422.620 L 240.760 423.220 L 240.660 423.620 L 240.460 424.220 L 240.060 424.820 L 239.660 425.220 L 239.060 425.620 L 238.460 425.820 L 238.060 425.820 L 237.660 425.820 L 237.060 425.620 L 236.460 425.220 L 236.060 424.820 L 235.660 424.220 L 235.460 423.620 L 235.360 423.220 L 235.360 422.620 L 235.360 423.220 L 235.260 423.720 L 235.060 424.220 L 234.760 424.620 L 234.460 424.920 L 234.060 425.220 L 233.560 425.420 L 233.060 425.420 L 232.560 425.420 L 232.060 425.220 L 231.660 424.920 L 231.360 424.620 L 231.060 424.220 L 230.860 423.720 L 230.760 423.220 L 230.760 422.620 L 230.860 422.120 L 231.060 421.620 L 231.360 421.220 L 231.660 420.920 L 232.060 420.620 L S 226.400 344.100 M 225.800 343.900 L 225.200 343.500 L 224.800 343.100 L 224.400 342.500 L 224.200 341.900 L 224.100 341.500 L 224.100 340.900 L 224.200 340.500 L 224.400 339.900 L 224.800 339.300 L 225.200 338.900 L 225.800 338.500 L 226.400 338.300 L 226.800 338.200 L 231.400 338.200 L 231.800 338.300 L 232.400 338.500 L 233.000 338.900 L 233.400 339.300 L 233.800 339.900 L 234.000 340.500 L 234.100 340.900 L 234.100 341.500 L 234.000 341.900 L 233.800 342.500 L 233.400 343.100 L 233.000 343.500 L 232.400 343.900 L 231.800 344.100 L S 226.100 346.780 M 224.100 348.780 L 234.100 348.780 L S 234.100 356.360 M 224.100 356.360 L 231.100 351.860 L 231.100 357.860 L S 152.980 327.400 M 152.380 327.200 L 151.780 326.800 L 151.380 326.400 L 150.980 325.800 L 150.780 325.200 L 150.680 324.800 L 150.680 324.200 L 150.780 323.800 L 150.980 323.200 L 151.380 322.600 L 151.780 322.200 L 152.380 321.800 L 152.980 321.600 L 153.380 321.500 L 157.980 321.500 L 158.380 321.600 L 158.980 321.800 L 159.580 322.200 L 159.980 322.600 L 160.380 323.200 L 160.580 323.800 L 160.680 324.200 L 160.680 324.800 L 160.580 325.200 L 160.380 325.800 L 159.980 326.400 L 159.580 326.800 L 158.980 327.200 L 158.380 327.400 L S 152.680 330.080 M 150.680 332.080 L 160.680 332.080 L S 158.980 335.460 M 159.580 335.860 L 159.980 336.260 L 160.380 336.860 L 160.580 337.460 L 160.680 337.860 L 160.680 338.460 L 160.580 338.860 L 160.380 339.460 L 159.980 340.060 L 159.580 340.460 L 158.980 340.860 L 158.380 341.060 L 157.980 341.160 L 157.380 341.160 L 156.980 341.060 L 156.380 340.860 L 155.780 340.460 L 155.380 340.060 L 154.980 339.460 L 154.780 338.860 L 154.680 338.460 L 154.680 337.860 L 154.780 337.160 L 154.880 336.160 L 155.080 335.660 L 150.680 335.660 L 150.680 340.860 L S 183.680 269.340 M 183.080 269.140 L 182.480 268.740 L 182.080 268.340 L 181.680 267.740 L 181.480 267.140 L 181.380 266.740 L 181.380 266.140 L 181.480 265.740 L 181.680 265.140 L 182.080 264.540 L 182.480 264.140 L 183.080 263.740 L 183.680 263.540 L 184.080 263.440 L 188.680 263.440 L 189.080 263.540 L 189.680 263.740 L 190.280 264.140 L 190.680 264.540 L 191.080 265.140 L 191.280 265.740 L 191.380 266.140 L 191.380 266.740 L 191.280 267.140 L 191.080 267.740 L 190.680 268.340 L 190.280 268.740 L 189.680 269.140 L 189.080 269.340 L S 183.380 272.020 M 181.380 274.020 L 191.380 274.020 L S 183.080 282.800 M 182.480 282.400 L 182.080 282.000 L 181.680 281.400 L 181.480 280.800 L 181.380 280.400 L 181.380 279.800 L 181.480 279.400 L 181.680 278.800 L 182.080 278.200 L 182.480 277.800 L 183.080 277.400 L 183.680 277.200 L 184.080 277.100 L 188.680 277.100 L 189.080 277.200 L 189.680 277.400 L 190.280 277.800 L 190.680 278.200 L 191.080 278.800 L 191.280 279.400 L 191.380 279.800 L 191.380 280.400 L 191.280 280.800 L 191.080 281.400 L 190.680 282.000 L 190.280 282.400 L 189.680 282.800 L 189.080 283.000 L 188.680 283.100 L 188.080 283.100 L 187.680 283.000 L 187.080 282.800 L 186.480 282.400 L 186.080 282.000 L 185.680 281.400 L 185.480 280.800 L 185.380 280.400 L 185.380 279.800 L 185.480 279.400 L 185.680 278.800 L 186.080 278.200 L 186.480 277.800 L 187.080 277.400 L 187.680 277.200 L 188.080 277.100 L S 154.980 381.460 M 154.380 381.260 L 153.780 380.860 L 153.380 380.460 L 152.980 379.860 L 152.780 379.260 L 152.680 378.860 L 152.680 7 9 1 319.29 265.36 76.71 o -6 9 1 73.49 105.85 105.59 o -5 9 1 2843.41 2831.31 158.41 o -4 9 1 38.12 43.06 35.90 o -3 9 1 6050.84 5926.71 152.08 o -2 9 1 11098.57 10913.27 243.45 o -1 9 1 0.04 44.94 32.58 o 0 9 1 305.21 262.34 44.01 o 1 9 1 8215.34 7421.49 241.82 o 2 9 1 15176.25 15220.77 287.03 o 3 9 1 25.22 33.27 24.35 o 4 9 1 170.76 192.88 51.27 o 5 9 1 504.77 463.42 80.32 o 6 9 1 1190.54 1409.34 119.57 o 7 9 1 394.72 397.30 81.71 o 8 9 1 607.83 569.24 111.14 o -8 10 1 7.74 75.54 71.41 o -7 10 1 147.07 177.03 86.87 o -6 10 1 871.87 750.80 106.52 o -5 10 1 217.51 218.35 92.56 o -4 10 1 132.54 193.62 54.78 o -3 10 1 600.40 449.86 57.63 o -2 10 1 3831.95 3697.88 130.90 o -1 10 1 2577.96 2711.70 111.47 o 0 10 1 91.85 53.74 37.94 o 1 10 1 2555.38 2345.46 114.64 o 2 10 1 89.64 110.57 40.67 o 3 10 1 964.23 977.86 90.20 o 4 10 1 125.73 197.83 55.44 o 5 10 1 418.97 279.80 78.70 o 6 10 1 419.56 413.22 88.43 o 7 10 1 161.44 167.05 76.71 o 8 10 1 0.01 -75.60 86.55 o -7 11 1 753.67 789.26 261.07 o -6 11 1 653.28 437.79 98.43 o -5 11 1 122.05 19.16 65.41 o -4 11 1 59.26 8.39 47.15 o -3 11 1 142.54 211.18 59.78 o -2 11 1 851.36 918.25 77.22 o -1 11 1 584.17 722.57 87.00 o 0 11 1 84.23 79.67 54.84 o 1 11 1 5585.96 5610.84 171.89 o 2 11 1 5.95 49.75 50.84 o 3 11 1 996.22 908.91 92.40 o 4 11 1 147.97 124.75 81.65 o 5 11 1 2203.24 2640.15 172.37 o 6 11 1 829.68 960.50 123.16 o 7 11 1 585.64 867.35 123.13 o -6 12 1 706.83 644.10 117.39 o -5 12 1 869.14 868.11 125.01 o -4 12 1 271.97 208.88 85.17 o -3 12 1 170.83 340.70 143.09 o -2 12 1 18.32 53.82 53.48 o -1 12 1 200.76 140.17 52.11 o 0 12 1 2.45 -4.29 43.11 o 1 12 1 1075.89 947.02 98.89 o 2 12 1 110.03 -17.46 50.62 o 3 12 1 875.27 762.50 115.79 o 4 12 1 1647.78 1492.51 228.34 o 5 12 1 1084.62 1139.97 138.19 o 6 12 1 84.40 87.85 104.53 o -5 13 1 76.08 28.06 77.44 o -4 13 1 22.99 74.06 75.63 o -3 13 1 38.99 -28.50 72.85 o -2 13 1 62.89 91.41 61.39 o -1 13 1 1110.73 1071.34 121.56 o 0 13 1 469.77 338.03 107.93 o 1 13 1 113.30 11.71 56.78 o 2 13 1 372.47 347.27 101.53 o 3 13 1 1288.99 1433.79 150.90 o 4 13 1 393.35 328.08 99.48 o 5 13 1 667.76 881.94 130.24 o -3 14 1 729.03 819.65 134.14 o -2 14 1 479.34 365.98 142.30 o -1 14 1 256.71 230.82 136.52 o 0 14 1 3.98 -57.00 76.47 o 1 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162.02 o -3 1 2 1269.00 1395.68 30.79 o -2 1 2 4479.59 5357.50 70.27 o -1 1 2 4887.38 5261.22 71.89 o 0 1 2 388.34 430.10 20.92 o 1 1 2 3851.30 3898.28 49.13 o 2 1 2 18495.66 20460.85 260.83 o 3 1 2 6634.12 6388.85 109.80 o 4 1 2 13749.33 14058.80 228.90 o 5 1 2 4069.57 4171.21 70.51 o 6 1 2 947.78 962.89 34.19 o 7 1 2 3260.07 3276.62 75.63 o 8 1 2 2451.79 2533.28 70.28 o 9 1 2 2576.12 2707.24 153.82 o 10 1 2 1.64 -12.99 37.71 o 11 1 2 70.51 58.44 102.68 o -11 2 2 297.52 296.89 69.70 o -10 2 2 1598.31 1832.81 168.24 o -9 2 2 6465.61 6660.78 222.37 o -8 2 2 699.95 668.83 48.33 o -7 2 2 17.60 20.44 18.72 o -6 2 2 7995.86 7823.94 138.85 o -5 2 2 17676.76 17448.94 223.02 o -4 2 2 304.72 351.27 19.53 o -3 2 2 414.96 439.59 23.50 o -2 2 2 253.94 430.90 17.43 o -1 2 2 27565.39 30373.65 320.52 o 0 2 2 3534.61 3959.91 49.74 o 1 2 2 3446.20 3977.93 48.62 o 2 2 2 265.97 394.34 26.37 o 3 2 2 6446.23 6272.21 76.67 o 4 2 2 3337.81 3460.98 68.76 o 5 2 2 8030.79 7819.83 123.37 o 6 2 2 83.58 87.93 15.70 o 7 2 2 2748.73 2766.98 71.54 o 8 2 2 605.81 561.49 39.13 o 9 2 2 1453.19 1420.72 84.50 o 10 2 2 330.49 345.70 58.99 o 11 2 2 600.67 566.94 70.54 o -11 3 2 251.78 230.54 66.72 o -10 3 2 854.24 799.03 86.51 o -9 3 2 193.97 166.50 52.34 o -8 3 2 9.23 -14.72 39.16 o -7 3 2 1794.02 1800.66 58.60 o -6 3 2 541.74 575.15 33.39 o -5 3 2 403.40 339.36 26.60 o -4 3 2 11046.21 11711.15 149.43 o -3 3 2 64.80 84.33 12.85 o -2 3 2 1595.65 1579.13 32.38 o -1 3 2 14359.70 15331.77 163.64 o 0 3 2 1242.71 1345.70 27.23 o 1 3 2 275.30 256.09 13.51 o 2 3 2 1614.80 1566.81 29.33 o 3 3 2 20808.53 21377.22 285.27 o 4 3 2 3377.20 2928.97 54.28 o 5 3 2 4675.07 4626.06 83.33 o 6 3 2 145.54 138.37 17.61 o 7 3 2 1581.58 1598.86 55.56 o 8 3 2 3117.87 3177.16 99.08 o 9 3 2 2102.16 2223.76 108.62 o 10 3 2 382.26 362.92 64.36 o 11 3 2 43.77 51.07 62.78 o -11 4 2 52.63 -40.88 51.96 o -10 4 2 532.29 628.10 85.11 o -9 4 2 10081.32 9777.88 304.57 o -8 4 2 4347.00 4179.09 249.47 o -7 4 2 120.65 75.03 25.78 o -6 4 2 213.25 179.37 22.32 o -5 4 2 842.09 675.84 41.49 o -4 4 2 0.80 1.84 13.40 o -3 4 2 528.96 513.63 22.46 o -2 4 2 5013.25 5369.08 77.03 o -1 4 2 1241.49 1104.86 27.88 o 0 4 2 36310.42 37130.39 376.25 o 1 4 2 20477.81 21058.56 222.58 o 2 4 2 962.21 771.17 22.09 o 3 4 2 1863.05 1801.98 62.50 o 4 4 2 12476.75 12129.04 196.37 o 5 4 2 25076.98 24957.27 371.10 o 6 4 2 598.87 553.73 39.01 o 7 4 2 8439.87 8791.25 179.21 o 8 4 2 6.74 2.22 38.37 o 9 4 2 869.07 908.30 107.63 o 10 4 2 33.38 3.20 45.77 o -10 5 2 60.99 96.64 60.48 o -9 5 2 83.99 77.76 99.95 o -8 5 2 458.05 460.13 81.51 o -7 5 2 25.01 20.60 25.82 o -6 5 2 3050.19 2884.86 78.69 o -5 5 2 21561.21 21675.40 282.79 o -4 5 2 22767.19 21910.46 308.18 o -3 5 2 19502.85 20248.63 265.33 o -2 5 2 6938.32 7411.57 102.69 o -1 5 2 3585.33 3401.60 58.93 o 0 5 2 16630.83 16605.49 185.27 o 1 5 2 19934.48 19829.19 227.20 o 2 5 2 174.65 129.35 15.14 o 3 5 2 1532.49 1491.31 46.02 o 4 5 2 3215.72 3181.26 95.05 o 5 5 2 6.90 4.95 19.80 o 6 5 2 540.44 516.43 35.72 o 7 5 2 136.80 77.02 33.65 o 8 5 2 1036.45 1031.64 98.61 o 9 5 2 39.88 32.87 54.05 o 10 5 2 49.38 72.10 54.90 o -10 6 2 652.71 648.31 101.06 o -9 6 2 68.69 91.62 60.18 o -8 6 2 2519.71 2705.89 150.06 o -7 6 2 6513.37 6418.10 164.09 o -6 6 2 83.08 91.02 20.50 o -5 6 2 630.99 582.52 32.74 o -4 6 2 2717.98 2686.98 63.40 o -3 6 2 622.76 544.84 31.48 o -2 6 2 7273.26 7368.49 108.68 o -1 6 2 24725.93 25223.54 289.65 o 0 6 2 1162.79 1134.88 39.97 o 1 6 2 363.47 441.92 28.43 o 2 6 2 6339.20 6307.92 134.69 o 3 6 2 14713.28 14920.33 249.63 o 4 6 2 825.17 823.54 39.72 o 5 6 2 527.35 517.85 40.35 o 6 6 2 2108.63 2088.28 70.62 o 7 6 2 483.50 460.31 67.87 o 8 6 2 1722.02 1782.89 122.79 o 9 6 2 1878.60 1741.78 123.24 o 10 6 2 344.16 293.81 89.14 o -10 7 2 326.13 332.81 87.34 o -9 7 2 566.09 615.48 239.99 o -8 7 2 360.43 250.69 69.18 o -7 7 2 579.91 514.74 161.03 o -6 7 2 481.74 480.70 55.94 o -5 7 2 420.03 472.51 36.33 o -4 7 2 1283.35 1358.12 49.96 o -3 7 2 42.08 -9.26 18.25 o -2 7 2 657.41 638.98 39.09 o -1 7 2 1007.17 1053.98 46.47 o 0 7 2 1450.91 1369.58 62.74 o 1 7 2 7133.47 6761.17 138.65 o 2 7 2 2543.56 2447.86 63.13 o 3 7 2 1310.14 1331.16 56.58 o 4 7 2 1878.31 1811.61 60.85 o 5 7 2 7377.52 7436.70 220.28 o 6 7 2 6865.82 6683.75 236.14 o 7 7 2 292.21 474.13 76.43 o 8 7 2 794.07 833.93 96.06 o 9 7 2 130.91 137.59 63.13 o -9 8 2 26.59 -56.33 56.33 o -8 8 2 2026.74 2191.55 204.21 o -7 8 2 1871.06 1885.20 134.10 o -6 8 2 1058.26 1210.13 78.12 o -5 8 2 5121.69 5217.21 131.92 o -4 8 2 4834.00 4631.76 115.10 o -3 8 2 11138.62 11005.60 218.47 o -2 8 2 122.25 146.61 27.43 o -1 8 2 4429.06 4238.63 126.14 o 0 8 2 343.55 353.88 40.78 o 1 8 2 7139.58 7021.40 235.42 o 2 8 2 241.35 209.27 28.03 o 3 8 2 512.03 501.33 37.87 o 4 8 2 217.25 238.50 33.55 o 5 8 2 13.51 30.97 37.40 o 6 8 2 55.57 42.36 91.17 o 7 8 2 107.28 168.99 63.12 o 8 8 2 181.86 275.95 75.90 o 9 8 2 90.15 -26.15 60.15 o -9 9 2 149.67 25.86 85.02 o -8 9 2 40.22 82.04 67.39 o -7 9 2 32.83 44.87 65.61 o -6 9 2 109.78 97.82 63.75 o -5 9 2 2307.44 2207.10 140.63 o -4 9 2 3294.66 3002.61 112.78 o -3 9 2 610.05 623.37 60.91 o -2 9 2 216.26 319.23 48.66 o -1 9 2 14.54 10.81 29.76 o 0 9 2 264.62 325.98 47.33 o 1 9 2 191.44 140.52 34.83 o 2 9 2 669.72 829.80 69.03 o 3 9 2 3665.37 3915.61 103.55 o 4 9 2 3435.95 3829.57 147.30 o 5 9 2 1370.43 1472.63 120.25 o 6 9 2 7.44 -0.62 53.58 o 7 9 2 141.41 202.82 75.77 o 8 9 2 709.89 993.31 194.13 o -8 10 2 7.64 -57.86 57.86 o -7 10 2 176.31 121.96 78.25 o -6 10 2 160.68 73.09 69.38 o -5 10 2 1438.41 1258.50 198.29 o -4 10 2 816.67 935.90 89.13 o -3 10 2 2235.86 2120.16 99.85 o -2 10 2 85.62 176.96 46.39 o -1 10 2 673.55 642.54 63.78 o 0 10 2 5200.78 5298.86 158.62 o 1 10 2 3483.29 3373.75 123.89 o 2 10 2 1099.08 1227.87 80.75 o 3 10 2 987.76 792.52 84.43 o 4 10 2 1801.01 1696.48 130.31 o 5 10 2 3424.41 3684.17 360.52 o 6 10 2 274.53 178.22 74.00 o 7 10 2 1163.50 1101.45 133.98 o 8 10 2 226.48 188.43 109.85 o -7 11 2 1104.14 1097.17 138.15 o -6 11 2 937.10 821.52 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88.63 o -4 12 7 9.24 24.78 47.50 o -3 12 7 62.98 122.36 52.28 o -2 12 7 1079.50 1176.49 90.67 o -1 12 7 1598.18 1659.13 122.69 o 0 12 7 761.68 806.88 96.75 o 1 12 7 73.82 84.34 77.30 o 2 12 7 141.51 -10.43 70.56 o 3 12 7 0.86 92.00 75.96 o 4 12 7 3.64 40.68 72.03 o -4 13 7 28.32 -61.77 103.28 o -3 13 7 325.42 338.20 100.51 o -2 13 7 436.97 474.76 122.52 o -1 13 7 178.19 288.91 80.33 o 0 13 7 1165.13 1329.93 153.42 o 1 13 7 92.54 75.80 80.74 o 2 13 7 0.65 -71.38 71.38 o -11 0 8 1908.04 2014.53 211.37 o -10 0 8 4415.89 4384.22 291.36 o -9 0 8 1181.43 1195.11 156.54 o -8 0 8 6749.01 6790.90 343.78 o -7 0 8 7508.36 7363.91 336.67 o -6 0 8 11235.18 11306.75 369.51 o -5 0 8 8565.43 7803.49 241.03 o -4 0 8 24626.15 23809.97 477.48 o -3 0 8 14877.33 14519.06 267.00 o -2 0 8 49.61 79.68 52.58 o -1 0 8 5872.85 6378.92 132.67 o 0 0 8 5316.23 4613.97 101.76 o 1 0 8 4025.58 4022.55 83.90 o 2 0 8 22316.05 23732.58 447.18 o 3 0 8 45511.01 44758.19 810.77 o 4 0 8 5527.90 5557.11 126.31 o 5 0 8 276.19 251.52 26.27 o 6 0 8 2750.24 2896.06 113.55 o -11 1 8 7.30 53.97 64.43 o -10 1 8 831.74 772.09 101.03 o -9 1 8 2118.09 2313.33 189.74 o -8 1 8 1141.47 1187.49 102.14 o -7 1 8 20.68 11.92 24.30 o -6 1 8 1588.30 1626.84 59.56 o -5 1 8 2373.75 2349.51 67.40 o -4 1 8 270.60 294.87 28.49 o -3 1 8 3053.79 3159.40 63.23 o -2 1 8 11019.92 10877.88 192.15 o -1 1 8 18562.92 18847.89 229.81 o 0 1 8 15923.56 16127.75 197.52 o 1 1 8 3875.90 4133.86 63.71 o 2 1 8 406.63 411.49 20.92 o 3 1 8 3212.38 3220.17 62.28 o 4 1 8 2790.52 2871.32 86.21 o 5 1 8 435.36 404.08 25.50 o 6 1 8 2232.82 2336.38 164.26 o 7 1 8 1096.68 1069.23 66.20 o 8 1 8 1373.74 1314.94 98.57 o 9 1 8 187.90 288.03 60.19 o -11 2 8 1181.57 972.32 120.36 o -10 2 8 41.45 96.23 90.66 o -9 2 8 243.52 245.53 91.31 o -8 2 8 252.92 291.34 67.83 o -7 2 8 2629.61 2628.42 78.49 o -6 2 8 774.71 902.85 53.56 o -5 2 8 1723.70 1573.19 57.36 o -4 2 8 0.54 29.43 19.31 o -3 2 8 6730.79 6834.35 123.28 o -2 2 8 87.33 72.71 16.18 o -1 2 8 5670.53 5794.86 96.76 o 0 2 8 4528.41 4451.60 71.88 o 1 2 8 5968.54 5651.86 90.13 o 2 2 8 1126.78 1328.55 35.22 o 3 2 8 1592.01 1587.44 42.44 o 4 2 8 338.95 310.55 24.53 o 5 2 8 3692.24 3563.05 65.82 o 6 2 8 174.62 103.46 35.66 o 7 2 8 1697.87 1639.08 85.97 o 8 2 8 242.40 66.02 53.44 o 9 2 8 383.96 331.95 74.34 o -11 3 8 449.36 429.00 91.73 o -10 3 8 65.06 -52.84 52.84 o -9 3 8 644.57 484.73 92.14 o -8 3 8 56.8IN; PS4; PU;SP1;LA1,4,2,4; PU;PW0.3; PU7054,2241;PD7039,2228,7027,2213,7018,2196,7013,2177,7011,2158,7013,2139, 7019,2121,7028,2103,7041,2089,7056,2076,7073,2068,7091,2062,7111,2060, 7130,2063,7148,2068,7165,2078,7180,2090,7192,2105,7201,2122,7207,2141, 7208,2160,7206,2179,7200,2198,7191,2215,7179,2230,7164,2242,7146,2251, 7128,2256,7109,2258,7089,2256,7071,2250,7054,2241; PU7206,2138;PD7203,2140,7197,2142,7188,2145,7175,2148,7160,2151,7143,2156, 7125,2160,7106,2164,7087,2168,7069,2171,7053,2175,7039,2177,7028,2179, 7019,2180,7014,2180,7013,2180; PU7131,2255;PD7129,2255,7128,2250,7125,2242,7122,2230,7118,2217,7114,2200, 7110,2183,7106,2164,7102,2145,7098,2127,7095,2109,7092,2094,7090,2081, 7089,2072,7089,2066,7089,2063; PU7032,2098;PD7046,2084,7062,2073,7079,2065,7098,2061,7118,2061,7137,2064, 7155,2071,7171,2082,7185,2096,7196,2111,7203,2129,7208,2148,7208,2167, 7205,2186,7198,2204,7187,2220; PU2156,3272;PD2151,3254,2150,3236,2153,3217,2158,3200,2168,3183,2180,3170, 2195,3158,2211,3150,2229,3145,2247,3144,2266,3146,2284,3152,2300,3161, 2314,3174,2325,3188,2333,3205,2338,3223,2339,3242,2337,3260,2331,3278, 2322,3294,2310,3308,2295,3319,2278,3327,2260,3332,2242,3334,2224,3331, 2206,3325,2190,3316,2176,3304,2165,3289,2156,3272; PU2337,3216;PD2335,3218,2330,3219,2322,3222,2311,3225,2297,3229,2282,3233, 2265,3238,2247,3242,2228,3246,2211,3250,2195,3254,2181,3257,2169,3259, 2160,3260,2155,3261,2153,3261; PU2267,3331;PD2262,3331,2256,3327,2249,3321,2243,3311,2236,3298,2230,3283, 2225,3266,2220,3248,2216,3230,2213,3212,2212,3196,2211,3180,2212,3167, 2215,3157,2218,3150,2222,3146; PU2214,3149;PD2231,3145,2249,3145,2267,3148,2284,3155,2299,3165,2312,3177, 2323,3193,2331,3210,2335,3228,2336,3246,2333,3264,2327,3282,2318,3297, 2306,3310,2292,3321,2276,3328; PU5558,6976;PD5541,6967,5527,6956,5515,6942,5506,6926,5500,6908,5498,6890, 5500,6871,5505,6853,5513,6837,5525,6823,5539,6811,5555,6802,5573,6796, 5591,6794,5610,6796,5628,6801,5644,6809,5658,6821,5671,6835,5680,6851, 5685,6869,5687,6887,5686,6906,5681,6923,5672,6940,5661,6954,5646,6966, 5630,6975,5613,6981,5594,6983,5576,6981,5558,6976; PU5685,6867;PD5684,6871,5681,6877,5673,6882,5663,6888,5650,6894,5635,6900, 5618,6905,5601,6910,5582,6914,5565,6917,5548,6919,5533,6919,5521,6919, 5511,6917,5504,6914,5501,6910; PU5610,6981;PD5606,6979,5602,6974,5598,6965,5594,6953,5589,6939,5584,6923, 5580,6905,5577,6887,5574,6869,5572,6852,5570,6836,5569,6822,5570,6811, 5571,6802,5573,6797,5576,6796; PU5505,6853;PD5513,6838,5524,6824,5538,6813,5554,6804,5572,6799,5590,6798, 5609,6799,5626,6805,5643,6813,5657,6825,5669,6838,5678,6854,5684,6871, 5687,6889,5686,6907,5681,6924; PU6880,3067;PD7099,2257; PU7094,2257;PD6876,3068; PU6873,3068;PD7089,2256; PU7084,2255;PD6870,3066; PU6867,3064;PD7080,2253; PU7075,2252;PD6865,3062; PU6863,3057;PD7071,2250; PU6863,3057;PD6865,3062,6867,3064,6870,3066,6873,3068,6876,3068,6880,3067; PU6952,3185;PD6939,3206,6924,3224,6905,3238,6885,3249,6863,3256,6841,3258, 6819,3255,6798,3248,6780,3236,6764,3221,6752,3202,6743,3181,6739,3159, 6739,3135,6743,3111,6751,3089,6764,3068,6779,3050,6798,3036,6818,3025, 6840,3019,6853,3017; PU6913,3032;PD6923,3038,6939,3053,6951,3072,6960,3093,6964,3116,6964,3139, 6960,3163,6952,3185; PU6943,3059;PD6943,3064,6939,3072,6931,3082,6921,3094,6908,3108,6892,3123, 6876,3139,6858,3154,6840,3169,6822,3183,6806,3195,6791,3204,6779,3211, 6769,3216,6763,3217,6760,3215; PU6894,3245;PD6876,3252,6857,3254,6837,3252,6819,3245,6801,3234,6786,3220, 6773,3202,6763,3182,6756,3160,6753,3137,6754,3114,6759,3092,6767,3072, 6778,3054,6793,3040,6809,3029; PU6776,3054;PD6785,3047,6798,3043,6812,3042,6828,3046,6845,3053,6862,3063, 6865,3065; PU6873,3072;PD6878,3076,6894,3091,6908,3108,6920,3126,6929,3145,6935,3163, 6938,3180,6938,3196,6934,3209,6927,3220; PU3314,2928;PD2332,3201; PU2334,3206;PD3317,2932; PU3317,2936;PD2335,3211; PU2337,3216;PD3317,2940; PU3317,2944;PD2338,3221; PU2339,3226;PD3315,2949,3317,2944,3317,2940,3317,2936,3317,2932,3314,2928; PU3497,2940;PD3490,2960,3479,2980,3465,2996,3449,3009,3430,3019,3411,3025, 3391,3026,3371,3023,3352,3016,3335,3005,3320,2991,3309,2974,3306,2966; PU3296,2910;PD3299,2890,3307,2870,3317,2851,3331,2834,3347,2821,3366,2811, 3385,2806,3406,2804,3425,2807,3444,2814,3461,2825,3476,2839,3487,2856, 3496,2876,3500,2897,3500,2918,3497,2940; PU3306,2871;PD3307,2872,3311,2876,3318,2881,3329,2887,3342,2894,3357,2903, 3374,2911,3392,2920,3410,2929,3428,2937,3444,2944,3459,2950,3471,2955, 3481,2958,3487,2960,3490,2960; PU3359,3019;PD3373,3022,3387,3021,3402,3016,3417,3006,3431,2994,3443,2978, 3454,2960,3463,2940,3469,2919,3473,2898,3474,2878,3471,2859,3466,2842, 3459,2828,3449,2818,3437,2811; PU3450,2817;PD3436,2811,3421,2810,3405,2812,3389,2819,3373,2829,3358,2843, 3345,2859,3334,2877,3325,2897,3319,2918,3317,2930; PU3316,2948;PD3316,2958,3320,2976,3326,2991,3335,3004,3347,3013; PU6332,3182;PD6739,3157; PU6738,3152;PD6327,3178; PU6325,3174;PD6738,3147; PU6738,3142;PD6324,3170; PU6324,3166;PD6739,3137; PU6739,3132;PD6328,3161,6324,3166,6324,3170,6325,3174,6327,3178,6332,3182; PU6167,3244;PD6153,3226,6142,3206,6135,3186,6132,3165,6133,3144,6138,3125, 6146,3108,6159,3093,6174,3082,6192,3074,6211,3071,6232,3072,6253,3076, 6273,3085,6292,3097,6308,3112,6322,3130,6333,3150,6335,3156; PU6343,3187;PD6343,3191,6342,3212,6337,3231,6329,3248,6316,3263,6301,3274, 6283,3282,6264,3285,6243,3285,6222,3280,6202,3271,6183,3259,6167,3244; PU6166,3243;PD6167,3242,6171,3239,6177,3234,6186,3227,6197,3217,6209,3206, 6222,3194,6236,3182,6250,3169,6264,3156,6276,3145,6287,3135,6296,3126, 6303,3119,6307,3115,6309,3113; PU6316,3263;PD6322,3255,6324,3244,6324,3231,6320,3215,6313,3198,6303,3180, 6291,3162,6276,3145,6260,3129,6243,3115,6226,3103,6210,3094,6194,3089, 6180,3087,6168,3088,6159,3093,6149,3105,6142,3121,6139,3138,6140,3157, 6144,3177,6152,3197,6163,3216,6177,3234,6194,3250,6212,3263,6231,3272, 6250,3278,6269,3280,6287,3278,6302,3273,6316,3263; PU4994,6039;PD5528,6819; PU5532,6816;PD4997,6035; PU5000,6033;PD5537,6812; PU5541,6809;PD5004,6032; PU5008,6031;PD5546,6806; PU5551,6804;PD5013,6032,5008,6031,5004,6032,5000,6033,4997,6035,4994,6039; PU4927,6058;PD4907,6049,4888,6037,4872,6023,4859,6006,4851,5988,4846,5969, 4845,5950,4849,5932,4857,5915,4869,5900,4884,5888,4902,5879,4923,5873, 4944,5871,4966,5873,4988,5878,5008,5887,5027,5899,5043,5914,5055,5931, 5064,5949,5069,5968,5070,5986,5066,6005,5058,6022,5046,6036,5041,6040; PU4986,6064;PD4971,6065,4949,6063,4927,6058; PU5070,5986;PD5068,5975,5063,5963,5054,5952,5041,5941,5024,5931,5006,5923, 4985,5917,4963,5912,4941,5910,4920,5909,4900,5912,4882,5916,4867,5922, 4856,5930,4849,5940,4845,5950; PU4938,5872;PD4932,5874,4927,5880,4923,5890,4921,5902,4919,5917,4920,5934, 4921,5952,4924,5972,4929,5990,4934,6008,4941,6025,4948,6039,4955,6051, 4963,6059,4970,6064,4977,6065; PU4862,6009;PD4872,6021,4886,6031,4902,6039,4921,6043,4941,6045,4962,6044, 4982,6040,4995,6036; PU5009,6030;PD5020,6024,5035,6013,5048,6000,5057,5986,5062,5971,5063,5956, 5060,5941,5054,5928; PU3804,3303;PD3480,2978; PU3477,2982;PD3804,3309; PU3802,3313;PD3474,2987; PU3471,2990;PD3799,3316; PU3796,3318;PD3467,2994; PU3464,2997;PD3790,3319,3796,3318,3799,3316,3802,3313,3804,3309,3804,3303; PU3958,3418;PD3948,3438,3935,3455,3918,3469,3900,3481,3881,3488,3861,3491, 3841,3489,3822,3484,3805,3474,3790,3461,3778,3444,3770,3426,3765,3405, 3764,3383,3767,3361,3774,3340,3784,3320,3786,3318; PU3803,3298;PD3814,3288,3832,3278,3851,3270,3872,3267,3891,3269,3910,3274, 3928,3284,3942,3297,3954,3314,3963,3332,3968,3353,3968,3375,3965,3397, 3958,3418; PU3963,3404;PD3961,3407,3955,3408,3946,3409,3934,3408,3919,3407,3902,3404, 3883,3400,3865,3396,3846,3390,3827,3385,3811,3379,3796,3373,3784,3368, 3776,3362,3770,3358,3769,3354; PU3820,3483;PD3808,3475,3798,3464,3790,3449,3785,3432,3784,3412,3785,3392, 3790,3370,3797,3350,3808,3330,3820,3312,3835,3297,3850,3285,3866,3276, 3882,3272,3898,3271,3912,3275; PU3885,3268;PD3898,3271,3909,3279,3918,3290,3926,3305,3931,3323,3934,3343, 3934,3364,3932,3386,3927,3407,3919,3428,3910,3447,3899,3462,3887,3475, 3873,3484,3860,3489,3847,3490; PU5192,5410;PD4984,5877; PU4989,5879;PD5197,5410; PU5201,5410;PD4993,5880; PU4998,5882;PD5205,5412; PU5209,5414;PD5003,5884; PU5007,5887;PD5212,5418,5209,5414,5205,5412,5201,5410,5197,5410,5192,5410; PU5275,5415;PD5254,5420,5231,5421,5213,5419; PU5189,5412;PD5172,5402,5156,5388,5144,5373,5136,5355,5132,5336,5132,5316, 5137,5296,5145,5277,5158,5260,5174,5245,5192,5233,5212,5224,5234,5219, 5256,5218,5277,5221,5298,5227,5316,5237,5331,5250,5343,5266,5351,5284, 5355,5303,5355,5323,5351,5343,5342,5362,5329,5379,5314,5394,5295,5406, 5275,5415; PU5351,5283;PD5353,5297,5351,5313,5346,5329,5336,5344,5323,5359,5306,5372, 5288,5383,5267,5392,5246,5397,5224,5400,5204,5400,5185,5396,5168,5390, 5154,5381,5143,5370,5137,5356; PU5260,5418;PD5256,5417,5253,5412,5248,5403,5244,5391,5239,5376,5235,5359, 5231,5341,5227,5321,5224,5302,5222,5284,5221,5266,5220,5251,5221,5238, 5222,5229,5224,5223,5227,5220; PU5132,5329;PD5134,5316,5140,5304,5150,5292,5164,5281,5180,5271,5199,5264, 5221,5258,5242,5255,5264,5254,5285,5256,5305,5261,5322,5267,5336,5276, 5347,5286,5353,5297,5356,5310; PU6157,3678;PD6231,3282; PU6226,3281;PD6152,3680; PU6148,3680;PD6222,3280; PU6217,3278;PD6144,3678; PU6140,3676;PD6212,3276; PU6207,3274;PD6137,3671,6140,3676,6144,3678,6148,3680,6152,3680,6157,3678; PU6194,3833;PD6174,3844,6152,3851,6129,3855,6107,3854,6086,3848,6066,3839, 6050,3826,6036,3809,6026,3791,6021,3770,6019,3749,6023,3727,6030,3706, 6041,3687,6056,3669,6074,3655,6095,3643,6117,3636,6123,3635; PU6187,3642;PD6202,3649,6219,3662,6232,3678,6242,3697,6248,3717,6249,3739, 6246,3761,6238,3782,6227,3801,6212,3819,6194,3833; PU6216,3660;PD6214,3660,6208,3664,6199,3670,6188,3680,6175,3692,6160,3705, 6144,3721,6128,3737,6112,3754,6097,3770,6083,3785,6072,3799,6063,3810, 6056,3819,6052,3825,6052,3828; PU6041,3687;PD6031,3705,6026,3723,6024,3743,6027,3763,6034,3782,6045,3799, 6059,3815,6076,3827,6095,3837,6116,3843,6138,3845,6159,3843,6179,3837, 6198,3828,6214,3816,6227,3801; PU6211,3820;PD6217,3811,6220,3799,6221,3786,6217,3771,6211,3754,6202,3737, 6190,3721,6175,3705,6160,3691,6150,3684; PU6140,3678;PD6126,3670,6109,3663,6093,3659,6079,3659,6067,3662,6058,3668; PU4439,3172;PD3963,3333; PU3964,3338;PD4442,3176; PU4443,3180;PD3965,3342; PU3967,3347;PD4444,3184; PU4444,3188;PD3967,3352; PU3968,3357;PD4443,3193,4444,3188,4444,3184,4443,3180,4442,3176,4439,3172; PU4420,3155;PD4419,3144,4422,3123,4428,3103,4437,3085,4450,3070,4465,3059, 4482,3051,4501,3047,4520,3047,4539,3052,4557,3060,4574,3072,4588,3088, 4600,3106,4609,3126,4614,3148,4615,3169,4613,3190,4607,3210,4597,3228, 4585,3243,4569,3255,4552,3263,4534,3266,4515,3266,4496,3261,4477,3253, 4461,3241,4446,3225,4437,3211; PU4421,3128;PD4422,3134,4426,3140,4434,3147,4445,3155,4459,3163,4475,3170, 4493,3177,4512,3183,4531,3188,4549,3192,4566,3195,4582,3196,4594,3195, 4604,3193,4611,3190,4614,3186; PU4527,3267;PD4539,3264,4551,3257,4562,3246,4570,3232,4577,3215,4582,3196, 4583,3175,4583,3153,4580,3132,4574,3111,4567,3093,4557,3077,4546,3063, 4534,3054,4521,3048,4508,3047; PU4560,3062;PD4548,3056,4534,3054,4519,3055,4505,3061,4491,3070,4478,3083, 4467,3098,4457,3116,4450,3135,4445,3155,4443,3175,4443,3176; PU4444,3191;PD4444,3194,4448,3212,4455,3228,4464,3241,4474,3251; PU4880,4891;PD5170,5248; PU5174,5245;PD4882,4887; PU4885,4884;PD5177,5242; PU5181,5239;PD4889,4882; PU4893,4880;PD5185,5237; PU5190,5234;PD4898,4880,4893,4880,4889,4882,4885,4884,4882,4887,4880,4891; PU4842,4927;PD4821,4925,4801,4919,4782,4910,4766,4898,4752,4883,4742,4866, 4736,4847,4734,4828,4736,4809,4742,4790,4752,4772,4765,4758,4781,4745, 4799,4736,4820,4730,4841,4728,4862,4730,4882,4735,4900,4744,4917,4756, 4930,4771,4940,4789,4946,4807,4948,4827,4947,4846,4941,4865,4931,4882, 4928,4885; PU4875,4921;PD4863,4925,4842,4927; PU4944,4799;PD4938,4787,4927,4775,4914,4766,4897,4760,4879,4755,4859,4754, 4838,4755,4818,4760,4798,4766,4780,4775,4765,4787,4752,4799,4742,4813, 4737,4827,4736,4842,4738,4855; PU4804,4734;PD4803,4736,4803,4742,4805,4751,4808,4762,4812,4777,4818,4793, 4824,4811,4831,4829,4839,4847,4846,4864,4854,4881,4860,4894,4866,4906, 4872,4914,4875,4918; PU4744,4868;PD4751,4880,4762,4889,4776,4897,4792,4901,4811,4903,4831,4902, 4851,4897,4870,4891,4881,4885; PU4892,4879;PD4905,4870,4920,4857,4931,4843,4938,4828,4943,4814,4943,4800, 4939,4786; PU5316,3826;PD6020,3767; PU6020,3762;PD5312,3823; PU5311,3819;PD6019,3757; PU6019,3752;PD5310,3816; PU5311,3812;PD6019,3746; PU6020,3741;PD5315,3808,5311,3812,5310,3816,5311,3819,5312,3823,5316,3826; PU5200,3766;PD4603,3218; PU4601,3222;PD5200,3772; PU5199,3775;PD4598,3227; PU4595,3231;PD5196,3778; PU5193,3780;PD4592,3235; PU4589,3239;PD5187,3780,5193,3780,5196,3778,5199,3775,5200,3772,5200,3766; PU5209,3893;PD4867,4731; PU4872,4732;PD5214,3892; PU5218,3893;PD4877,4733; PU4881,4735;PD5222,3894; PU5225,3897;PD4886,4737; PU4890,4739;PD5228,3901,5225,3897,5222,3894,5218,3893,5214,3892,5209,3893; PU5188,3885;PD5177,3872,5169,3857,5164,3841,5162,3824,5163,3808,5168,3791, 5175,3779; PU5197,3754;PD5199,3752,5214,3744,5230,3739,5247,3737,5264,3738,5280,3743, 5295,3751,5308,3761,5319,3774,5328,3789,5331,3798; PU5334,3834;PD5333,3839,5329,3855,5321,3870,5311,3883,5298,3894,5283,3902, 5267,3908,5250,3909,5233,3908,5230,3907; PU5203,3896;PD5202,3896,5188,3885; PU5299,3819;PD5286,3822,5254,3831,5222,3837,5193,3842,5173,3844,5164,3843; PU5266,3908;PD5260,3902,5252,3885,5244,3858,5236,3826,5230,3793,5227,3765, 5227,3746,5230,3739; PU5197,3754;PD5199,3752,5213,3745,5229,3739,5246,3737,5263,3739,5279,3744, 5294,3751,5307,3762,5318,3775,5326,3789,5329,3798; PU5333,3834;PD5333,3839,5328,3855,5321,3870,5311,3883; PU5597,2938;PD5269,3740; PU5274,3741;PD5602,2936; PU5606,2936;PD5279,3742; PU5283,3744;PD5610,2937; PU5614,2938;PD5287,3746; PU5291,3748;PD5616,2941,5614,2938,5610,2937,5606,2936,5602,2936,5597,2938; PU5641,2966;PD5631,2965; PU5578,2948;PD5567,2940,5554,2925,5544,2908,5538,2890,5535,2871,5536,2851, 5541,2832,5549,2815,5562,2799,5577,2786,5594,2776,5612,2770,5632,2767, 5652,2768,5671,2773,5689,2781,5705,2793,5718,2808,5728,2824,5735,2843, 5738,2862,5737,2882,5732,2900,5723,2918,5711,2934,5696,2947,5679,2957, 5660,2963,5641,2966; PU5732,2833;PD5725,2819,5714,2808,5701,2799,5684,2792,5666,2788,5647,2787, 5628,2789,5609,2794,5591,2802,5574,2813,5560,2825,5549,2839,5542,2854, 5537,2870,5537,2885,5541,2900; PU5602,2773;PD5602,2774,5604,2780,5607,2789,5611,2800,5616,2815,5621,2831, 5628,2848,5634,2867,5641,2885,5647,2903,5654,2919,5659,2933,5663,2945, 5667,2953,5669,2958,5670,2960; PU5541,2900;PD5546,2911,5556,2920,5568,2928,5583,2933,5600,2935,5602,2935; PU5613,2935;PD5618,2935,5637,2932,5656,2926,5674,2918,5691,2909,5706,2898, 5718,2885,5727,2872,5732,2858,5734,2845,5732,2833; PU5884,4391;PD5320,3872; PU5317,3876;PD5885,4396; PU5884,4400;PD5314,3879; PU5311,3883;PD5882,4403; PU5880,4406;PD5307,3886; PU5303,3890;PD5876,4407,5880,4406,5882,4403,5884,4400,5885,4396,5884,4391; PU5851,4489;PD5843,4469,5838,4449,5837,4429,5840,4409,5841,4407; PU5875,4357;PD5884,4352,5901,4345,5919,4343,5938,4344,5956,4350,5974,4359, 5989,4372,6003,4388,6014,4405,6022,4425,6027,4445,6028,4465,6025,4485, 6018,4503,6009,4519,5996,4532,5981,4542,5964,4549,5946,4551,5928,4550, 5909,4544,5892,4535,5876,4522,5862,4507,5851,4489; PU5839,4414;PD5840,4420,5844,4427,5851,4435,5862,4444,5875,4452,5890,4461, 5907,4468,5926,4475,5944,4481,5962,4486,5979,4489,5994,4490,6006,4490, 6016,4488,6023,4485,6026,4480; PU5943,4551;PD5956,4550,5968,4545,5979,4536,5989,4524,5996,4508,6000,4491, 6002,4471,6002,4451,5999,4431,5993,4411,5985,4393,5974,4376,5963,4363, 5950,4352,5937,4346,5923,4343; PU5973,4359;PD5962,4354,5950,4352,5937,4354,5924,4360,5911,4369,5899,4381, 5889,4395,5887,4399; PU5882,4407;PD5879,4412,5873,4430,5868,4448,5866,4467,5866,4484,5869,4500, 5875,4515,5882,4526,5892,4535; PU4497,3899;PD5164,3843; PU5163,3838;PD4492,3896; PU4489,3893;PD5163,3833; PU5162,3828;PD4488,3889; PU4488,3886;PD5162,3823; PU5162,3818;PD4491,3882,4488,3886,4488,3889,4489,3893,4492,%!PS-Adobe-3.0 %%Title: g/>/0y%=Mcd||va#8Lc~jr`6Elo~ob}zq{ F=bqy Syste}s$9DqcHj5xv[ehfXIlu0cejbsa3 -*vcPCVS\{oDEF-*y=;m-: z{x5< |#?|-*~88#3|?2 l=$AI>* b82l-* ;39$}5?  |#:  -FE;-* y59l-'-?zul-* z;<l-; ~>* 9>l-* b=:l-:>*zl-':9  l<: |-* #3l-*|>8  a}=: #3{ls#2?*HGQ \Z|S-F_OyjF#*fZ DQGdKeO\Q F#*U^[ JRBR-F_OyDQ\QXRT)y@RHZ[UDFKGXQl-*\U@ARTZYZA?9AOzv:8#=oth-*u#>?:aex{GV_VS8-n]TPKBW]CPBKQ\|#< RPEEVBZYZL)-'CGR[R h|Q^>:l<* lc#>   c=?89h}-* l=$|#:>2l<*  l-: l=$:$dl-;{-*  l-: #*<:b?= |=: -F\;  |#8   |=:A[a=$bc=: -G\;   |#9 |=: A[a=$b=:ubl : }#:}59d~-'}<$b<2>?az?*l<;|#;9=5;  l-;l=$>$a ?;  {-* l-: #>eb=2y=*  l-*8=5 166.220 L 337.463 164.803 L 337.665 163.408 L 338.115 162.058 L 338.813 160.820 L 339.758 159.740 L 340.883 158.885 L 342.165 158.255 L S 346.440 172.070 M 346.350 171.958 L 346.215 171.575 L 346.013 170.945 L 345.765 170.090 L 345.473 169.055 L 345.158 167.840 L 344.820 166.535 L 344.483 165.163 L 344.168 163.768 L 343.853 162.440 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523.633 L 350.513 524.128 L 349.208 524.353 L 347.993 524.330 L 346.980 524.060 L 346.170 523.543 L S 368.535 246.905 M 347.655 171.665 L S 347.273 171.823 M 368.243 247.085 L S 367.928 247.130 M 346.890 171.935 L S 346.485 172.048 M 367.613 247.153 L S 367.275 247.130 M 346.103 172.138 L S 345.698 172.205 M 366.915 246.995 L 367.275 247.130 L 367.613 247.153 L 367.928 247.130 L 368.243 247.085 L 368.535 246.905 L S 367.613 260.900 M 366.038 260.337 L 364.575 259.527 L 363.338 258.470 L 362.325 257.210 L 361.583 255.793 L 361.133 254.285 L 361.020 252.755 L 361.245 251.248 L 361.785 249.808 L 362.595 248.503 L 363.698 247.378 L 365.025 246.500 L 365.610 246.253 L S 369.930 245.533 M 371.415 245.758 L 372.990 246.320 L 374.430 247.130 L 375.690 248.188 L 376.703 249.448 L 377.445 250.865 L 377.873 252.350 L 377.985 253.903 L 377.783 255.410 L 377.243 256.850 L 376.410 258.155 L 375.330 259.258 L 374.003 260.158 L 372.518 260.788 L 370.920 261.125 L 369.255 261.148 L 367.613 260.900 L S 372.923 246.275 M 372.788 246.320 L 372.518 246.635 L 372.135 247.220 L 371.663 248.030 L 371.100 249.043 L 370.470 250.213 L 369.818 251.495 L 369.143 252.868 L 368.467 254.263 L 367.860 255.590 L 367.298 256.850 L 366.825 257.975 L 366.465 258.920 L 366.217 259.663 L 366.083 260.135 L 366.105 260.360 L S 361.538 250.370 M 361.313 251.383 L 361.403 252.485 L 361.808 253.633 L 362.528 254.735 L 363.495 255.815 L 364.688 256.783 L 366.083 257.615 L 367.613 258.290 L 369.188 258.785 L 370.808 259.055 L 372.360 259.100 L 373.800 258.943 L 375.083 258.560 L 376.163 257.975 L 376.973 257.210 L 377.490 256.288 L S 377.018 257.277 M 377.445 256.220 L 377.558 255.073 L 377.378 253.858 L 376.883 252.620 L 376.095 251.405 L 375.060 250.280 L 373.823 249.245 L 372.405 248.390 L 370.898 247.715 L 369.323 247.243 L 368.333 247.108 L S 366.983 247.040 M 366.240 247.040 L 364.868 247.310 L 363.675 247.805 L 362.708 248.503 L 362.010 249.380 L S 349.050 477.958 M 350.963 509.098 L S 351.345 509.075 M 349.342 477.553 L S 349.658 477.418 M 351.750 509.053 L S 352.133 509.075 M 349.995 477.350 L S 350.310 477.373 M 352.515 509.098 L S 352.920 509.120 M 350.648 477.643 L 350.310 477.373 L 349.995 477.350 L 349.658 477.418 L 349.342 477.553 L 349.050 477.958 L S 344.348 465.290 M 345.698 464.210 L 347.205 463.400 L 348.803 462.860 L 350.400 462.613 L 351.975 462.680 L 353.460 463.063 L 354.765 463.738 L 355.868 464.683 L 356.723 465.853 L 357.308 467.225 L 357.578 468.710 L 357.533 470.285 L 357.173 471.883 L 356.520 473.413 L 355.598 474.853 L 354.428 476.135 L 353.055 477.215 L 351.548 478.025 L 351.075 478.205 L S 348.668 478.768 M 348.353 478.813 L 346.778 478.745 L 345.315 478.363 L 343.988 477.688 L 342.885 476.743 L 342.030 475.573 L 341.445 474.223 L 341.175 472.715 L 341.220 471.140 L 341.580 469.565 L 342.233 468.013 L 343.178 466.573 L 344.348 465.290 L S 344.415 465.245 M 344.460 465.335 L 344.685 465.628 L 345.090 466.123 L 345.653 466.775 L 346.372 467.608 L 347.205 468.530 L 348.128 469.565 L 349.095 470.623 L 350.063 471.703 L 351.030 472.738 L 351.908 473.683 L 352.695 474.515 L 353.348 475.213 L 353.865 475.730 L 354.203 476.068 L 354.360 476.203 L S 342.840 476.698 M 343.470 477.170 L 344.303 477.373 L 345.360 477.328 L 346.553 477.035 L 347.858 476.495 L 349.208 475.753 L 350.580 474.785 L 351.908 473.683 L 353.123 472.468 L 354.225 471.163 L 355.103 469.858 L 355.800 468.575 L 356.228 467.383 L 356.385 466.325 L 356.295 465.425 L 355.913 464.728 L 354.945 463.963 L 353.775 463.423 L 352.425 463.175 L 350.963 463.220 L 349.433 463.558 L 347.925 464.165 L 346.440 465.043 L 345.090 466.123 L 343.898 467.360 L 342.908 468.755 L 342.188 470.218 L 341.715 471.680 L 341.558 473.143 L 341.693 474.470 L 342.143 475.685 L 342.840 476.698 L S 130.350 375.538 M 70.613 416.420 L S 70.882 416.735 M 130.620 375.717 L S 130.778 375.965 M 71.153 417.073 L S 71.378 417.410 M 130.868 376.258 L S 130.958 376.573 M 71.580 417.770 L S 71.783 418.130 M 130.890 376.978 L 130.958 376.573 L 130.868 376.258 L 130.778 375.965 L 130.620 375.717 L 130.350 375.538 L S 128.865 370.408 M 129.540 368.833 L 130.463 367.393 L 131.588 366.178 L 132.870 365.210 L 134.243 364.535 L 135.705 364.175 L 137.145 364.130 L 138.540 364.445 L 139.823 365.053 L 140.970 365.953 L 141.893 367.123 L 142.590 368.495 L 143.018 370.048 L 143.175 371.690 L 143.040 373.378 L 142.635 375.043 L 141.938 376.618 L 141.038 378.035 L 139.913 379.250 L 138.630 380.217 L 137.235 380.893 L 135.795 381.253 L 134.355 381.298 L 132.960 381.005 L 131.655 380.398 L 130.530 379.475 L 130.238 379.115 L S 128.438 374.885 M 128.325 373.738 L 128.460 372.050 L 128.865 370.408 L S 134.378 381.298 M 135.255 381.208 L 136.133 380.803 L 137.010 380.083 L 137.842 379.092 L 138.585 377.833 L 139.215 376.393 L 139.710 374.818 L 140.070 373.130 L 140.250 371.465 L 140.273 369.823 L 140.092 368.293 L 139.778 366.943 L 139.283 365.818 L 138.675 364.963 L 137.933 364.378 L 137.122 364.130 L S 143.153 371.240 M 142.973 370.768 L 142.500 370.385 L 141.780 370.092 L 140.813 369.890 L 139.665 369.800 L 138.360 369.823 L 136.965 369.958 L 135.503 370.183 L 134.063 370.520 L 132.690 370.948 L 131.430 371.443 L 130.327 371.983 L 129.450 372.545 L 128.798 373.108 L 128.438 373.670 L 128.325 374.188 L S 132.622 365.368 M 131.723 366.178 L 130.958 367.235 L 130.372 368.495 L 130.012 369.935 L 129.855 371.465 L 129.923 373.040 L 130.238 374.615 L 130.575 375.605 L S 131.003 376.640 M 131.452 377.495 L 132.308 378.688 L 133.320 379.633 L 134.423 380.330 L 135.548 380.735 L 136.717 380.825 L 137.820 380.600 L 138.855 380.083 L S 339.825 284.435 M 364.665 259.573 L S 364.350 259.348 M 339.375 284.435 L S 339.083 284.255 M 364.035 259.122 L S 363.765 258.875 M 338.835 284.053 L S 338.633 283.783 M 363.473 258.605 L S 363.203 258.335 M 338.588 283.355 L 338.633 283.783 L 338.835 284.053 L 339.083 284.255 L 339.375 284.435 L 339.825 284.435 L S 331.005 296.225 M 329.497 295.438 L 328.170 294.402 L 327.068 293.165 L 326.213 291.770 L 325.673 290.285 L 325.448 288.755 L 325.538 287.225 L 325.965 285.785 L 326.708 284.480 L 327.720 283.333 L 328.980 282.432 L 330.420 281.780 L 332.018 281.398 L 333.683 281.330 L 335.348 281.578 L 336.967 282.095 L 338.475 282.883 L 338.655 283.018 L S 340.208 284.345 M 340.928 285.155 L 341.760 286.550 L 342.323 288.035 L 342.548 289.588 L 342.435 291.095 L 342.008 292.535 L 341.265 293.863 L 340.253 294.988 L 338.993 295.910 L 337.553 296.563 L 335.978 296.923 L 334.313 296.990 L 332.625 296.765 L 331.005 296.225 L S 332.108 296.608 M 331.883 296.450 L 331.770 296.000 L 331.725 295.280 L 331.770 294.335 L 331.883 293.210 L 332.108 291.905 L 332.378 290.488 L 332.715 289.048 L 333.120 287.585 L 333.548 286.190 L 333.997 284.908 L 334.425 283.805 L 334.853 282.905 L 335.258 282.230 L 335.595 281.825 L 335.888 281.713 L S 326.033 285.650 M 326.618 284.705 L 327.495 283.918 L 328.620 283.333 L 329.948 282.973 L 331.433 282.838 L 333.030 282.973 L 334.650 283.333 L 336.247 283.895 L 337.755 284.682 L 339.128 285.650 L 340.275 286.753 L 341.220 287.923 L 341.850 289.160 L 342.210 290.398 L 342.233 291.590 L 341.940 292.670 L S 342.503 290.622 M 342.233 291.590 L 341.648 292.445 L 340.770 293.165 L 339.645 293.750 L 338.295 294.155 L 336.765 294.358 L 335.145 294.358 L 333.458 294.178 L 331.815 293.795 L 330.240 293.233 L 328.823 292.513 L 327.608 291.680 L 326.618 290.735 L 325.920 289.723 L 325.538 288.710 L 325.470 287.698 L S 178.455 390.635 M 142.702 374.773 L S 142.590 375.133 M 178.523 391.040 L S 178.478 391.378 M 142.478 375.470 L S 142.320 375.830 M 178.365 391.693 L S 178.208 391.985 M 142.185 376.168 L S 142.005 376.483 M 177.915 392.233 L 178.208 391.985 L 178.365 391.693 L 178.478 391.378 L 178.523 391.040 L 178.455 390.635 L S 178.140 397.025 M 177.758 395.383 L 177.668 393.695 L 177.825 392.255 L S 178.365 390.478 M 179.130 389.105 L 180.143 387.935 L 181.335 387.013 L 182.708 386.405 L 184.193 386.090 L 185.700 386.113 L 187.208 386.450 L 188.648 387.103 L 189.975 388.070 L 191.123 389.263 L 192.045 390.680 L 192.698 392.233 L 193.103 393.875 L 193.193 395.563 L 192.990 397.205 L 192.495 398.758 L 191.730 400.130 L 190.717 401.323 L 189.503 402.223 L 188.130 402.853 L 186.668 403.168 L 185.138 403.145 L 183.630 402.808 L 182.190 402.133 L 180.863 401.188 L 179.738 399.995 L 178.815 398.578 L 178.140 397.025 L S 188.243 402.830 M 187.118 403.010 L 185.925 402.875 L 184.710 402.448 L 183.518 401.705 L 182.393 400.670 L 181.403 399.433 L 180.570 397.993 L 179.895 396.440 L 179.467 394.798 L 179.243 393.155 L 179.265 391.580 L 179.535 390.118 L 180.008 388.813 L 180.705 387.755 L 181.583 386.945 L 182.595 386.428 L S 177.848 395.878 M 177.960 395.608 L 178.365 395.315 L 179.040 394.978 L 179.940 394.618 L 181.088 394.280 L 182.370 393.943 L 183.788 393.628 L 185.273 393.358 L 186.758 393.133 L 188.175 392.975 L 189.503 392.885 L 190.673 392.840 L 191.640 392.885 L 192.360 392.975 L 192.833 393.155 L 193.013 393.380 L S 184.688 386.068 M 185.655 386.203 L 186.623 386.675 L 187.545 387.440 L 188.378 388.498 L 189.120 389.780 L 189.683 391.243 L 190.110 392.863 L 190.358 394.528 L 190.403 396.193 L 190.268 397.813 L 189.930 399.298 L 189.435 400.625 L 188.783 401.705 L 187.995 402.515 L 187.118 403.010 L 186.173 403.190 L S 311.138 464.525 M 341.400 470.218 L S 341.490 469.858 M 310.935 464.188 L S 310.980 463.873 M 341.603 469.498 L S 341.738 469.138 M 311.070 463.558 L S 311.250 463.265 M 341.872 468.778 L S 342.053 468.418 M 311.633 463.018 L 311.250 463.265 L 311.070 463.558 L 310.980 463.873 L 310.935 464.188 L 311.138 464.525 L S 299.213 467.383 M 298.380 465.830 L 297.818 464.143 L 297.570 462.433 L 297.660 460.723 L 298.088 459.103 L 298.808 457.618 L 299.798 456.335 L 301.035 455.278 L 302.453 454.535 L 304.027 454.108 L 305.670 454.018 L 307.335 454.265 L 308.955 454.828 L 310.440 455.705 L 311.790 456.853 L 312.893 458.225 L 313.747 459.800 L 314.288 461.465 L 314.355 461.938 L S 313.883 466.843 M 313.320 468.013 L 312.308 469.295 L 311.070 470.330 L 309.652 471.073 L 308.078 471.500 L 306.435 471.590 L 304.770 471.343 L 303.173 470.780 L 301.665 469.903 L 300.338 468.755 L 299.213 467.383 L S 312.488 469.093 M 312.465 468.890 L 312.195 468.440 L 311.700 467.788 L 310.980 466.933 L 310.058 465.920 L 309.000 464.795 L 307.830 463.580 L 306.570 462.343 L 305.310 461.128 L 304.073 459.980 L 302.902 458.923 L 301.868 458.023 L 300.990 457.325 L 300.315 456.808 L 299.842 456.538 L 299.618 456.515 L S 310.395 455.660 M 309.068 454.940 L 307.628 454.513 L 306.098 454.400 L 304.590 454.603 L 303.150 455.143 L 301.800 455.953 L 300.630 457.033 L 299.663 458.338 L 298.943 459.823 L 298.493 461.420 L 298.313 463.063 L 298.470 464.705 L 298.898 466.258 L 299.595 467.698 L 300.540 468.935 L 301.710 469.948 L S 300.225 468.665 M 300.923 469.160 L 301.800 469.408 L 302.858 469.430 L 304.005 469.183 L 305.265 468.688 L 306.548 467.968 L 307.808 467.045 L 309.000 465.965 L 310.080 464.750 L 310.620 463.985 L S 311.138 463.220 M 311.723 462.185 L 312.240 460.903 L 312.533 459.688 L 312.555 458.608 L 312.330 457.685 L 311.880 456.965 L S 349.838 333.013 M 337.485 296.563 L S 337.148 296.675 M 349.568 333.215 L S 349.253 333.328 M 336.788 296.765 L S 336.428 296.855 M 348.938 333.395 L S 348.600 333.418 M 336.045 296.900 L S 335.685 296.945 M 348.217 333.350 L 348.600 333.418 L 348.938 333.395 L 349.253 333.328 L 349.568 333.215 L 349.838 333.013 L S 351.120 331.573 M 351.997 331.505 L 353.618 331.708 L 355.125 332.158 L 356.475 332.900 L 357.623 333.868 L 358.523 335.015 L 359.130 336.342 L 359.423 337.760 L 359.400 339.223 L 359.063 340.685 L 358.388 342.080 L 357.465 343.363 L 356.273 344.465 L 354.878 345.365 L 353.348 346.018 L 351.705 346.423 L 350.063 346.513 L 348.443 346.333 L 346.913 345.860 L 345.563 345.140 L 344.415 344.173 L 343.515 343.003 L 342.908 341.698 L 342.615 340.280 L 342.638 338.818 L 342.997 337.355 L 343.650 335.960 L 344.595 334.678 L 345.788 333.575 L 346.890 332.855 L S 353.235 331.640 M 352.785 331.685 L 352.290 332.023 L 351.728 332.630 L 351.143 333.485 L 350.558 334.565 L 349.995 335.803 L 349.455 337.153 L 348.983 338.592 L 348.600 340.033 L 348.308 341.450 L 348.105 342.778 L 348.015 343.948 L 348.060 344.915 L 348.195 345.680 L 348.465 346.175 L 348.803 346.400 L S 342.592 339.740 M 342.795 340.708 L 343.335 341.608 L 344.145 342.418 L 345.225 343.070 L 346.553 343.588 L 348.015 343.948 L 349.613 344.083 L 351.278 344.038 L 352.920 343.813 L 354.473 343.385 L 355.913 342.800 L 357.150 342.058 L 358.163 341.203 L 358.905 340.280 L 359.333 339.290 L 359.445 338.300 L S 358.253 342.305 M 358.725 341.338 L 358.905 340.280 L 358.793 339.178 L 358.365 338.075 L 357.645 336.995 L 356.678 336.005 L 355.508 335.128 L 354.158 334.408 L 352.695 333.845 L 351.143 333.485 L 349.613 333.350 L 349.545 333.350 L S 348.398 333.418 M 348.128 333.440 L 346.755 333.733 L 345.540 334.228 L 344.528 334.903 L 343.785 335.735 L S 218.258 366.763 M 190.875 388.970 L S 191.123 389.263 M 218.573 366.920 L S 218.775 367.168 M 191.348 389.555 L S 191.550 389.848 M 218.933 367.438 L S 219.045 367.753 M 191.753 390.163 L S 191.933 390.500 M 219.068 368.158 L 219.045 367.753 L 218.933 367.438 L 218.775 367.168 L 218.573 366.920 L 218.258 366.763 L S 215.490 363.883 M 215.625 362.263 L 216.053 360.733 L 216.750 359.293 L 217.695 358.055 L 218.843 357.020 L 220.148 356.255 L 221.565 355.783 L 223.050 355.603 L 224.535 355.760 L 225.975 356.210 L 227.303 356.953 L 228.450 357.965 L 229.418 359.203 L 230.115 360.620 L 230.565 362.173 L 230.723 363.770 L 230.588 365.368 L 230.160 366.920 L 229.463 368.338 L 228.540 369.598 L 227.393 370.633 L 226.065 371.398 L 224.648 371.870 L 223.163 372.028 L 221.678 371.893 L 220.238 371.420 L 218.933 370.678 L 218.663 370.453 L S 215.918 366.380 M 215.648 365.480 L 215.490 363.883 L S 225.255 371.713 M 226.223 371.195 L 227.078 370.408 L 227.775 369.373 L 228.293 368.113 L 228.608 366.695 L 228.720 365.165 L 228.608 363.590 L 228.293 362.015 L 227.775 360.508 L 227.078 359.135 L 226.223 357.943 L 225.255 356.975 L 224.198 356.255 L 223.095 355.850 L 222.015 355.738 L 220.958 355.940 L S 230.250 360.958 M 230.093 360.868 L 229.643 360.890 L 228.968 361.025 L 228.068 361.250 L 226.965 361.588 L 225.705 362.015 L 224.355 362.510 L 222.960 363.050 L 221.588 363.613 L 220.260 364.198 L 219.023 364.760 L 217.965 365.278 L 217.088 365.750 L 216.458 366.155 L 216.188 366.380 L S 219.968 356.345 M 219.090 356.908 L 218.348 357.740 L 217.808 358.820 L 217.448 360.080 L 217.313 361.498 L 217.425 363.005 L 217.740 364.535 L 218.258 366.043 L 218.663 366.853 L S 219.135 367.708 M 219.810 368.720 L 220.823 369.823 L 221.903 370.678 L 223.028 371.263 L 224.153 371.578 L 225.233 371.600 L 226.245 371.308 L S 299.730 400.198 M 304.275 454.085 L S 304.680 454.040 M 300.000 399.838 L S 300.270 399.748 M 305.063 454.018 L S 305.467 454.018 M 300.563 399.725 L S 300.855 399.770 M 305.872 454.018 L S 306.255 454.063 M 301.170 400.085 L 300.855 399.770 L 300.563 399.725 L 300.270 399.748 L 300.000 399.838 L 299.730 400.198 L S 304.342 391.310 M 346.328 345.590 L S 345.990 345.410 M 303.938 391.310 L S 303.668 391.175 M 345.653 345.185 L S 345.338 344.983 M 303.443 390.973 L S 303.285 390.725 M 345.023 344.735 L S 344.730 344.488 M 303.263 390.320 L 303.285 390.725 L 303.443 390.973 L 303.668 391.175 L 303.938 391.310 L 304.342 391.310 L S 294.622 391.985 M 230.498 365.818 L S 230.408 366.178 M 294.713 392.345 L S 294.645 392.660 M 230.295 366.538 L S 230.183 366.898 M 294.533 392.930 L S 294.353 393.200 M 230.048 367.235 L S 229.890 367.573 M 294.038 393.403 L 294.353 393.200 L 294.533 392.930 L 294.645 392.660 L 294.713 392.345 L 294.622 391.985 L S 295.253 390.388 M 296.220 389.555 L 297.368 388.925 L 298.605 388.520 L 299.888 388.385 L 301.170 388.475 L 302.430 388.835 L 303.398 389.353 L S 305.288 391.063 M 305.423 391.220 L 306.053 392.368 L 306.458 393.583 L 306.592 394.888 L 306.503 396.170 L 306.143 397.408 L 305.535 398.578 L 304.725 399.590 L 303.758 400.423 L 302.610 401.053 L 301.935 401.278 L S 299.168 401.525 M 298.808 401.503 L 297.548 401.143 L 296.400 400.558 L 295.388 399.748 L 294.555 398.758 L 293.925 397.610 L 293.520 396.395 L 293.385 395.090 L 293.475 393.808 L 293.543 393.583 L S 294.398 391.490 M 294.443 391.400 L 295.253 390.388 L S 300.338 398.848 M 300.045 397.858 L 299.415 395.428 L 298.898 392.930 L 298.538 390.748 L 298.402 389.218 L 298.493 388.565 L S 293.520 396.373 M 293.925 395.900 L 295.275 395.270 L 297.323 394.618 L 299.775 394.033 L 302.273 393.560 L 304.410 393.335 L 305.872 393.358 L 306.458 393.605 L S 305.288 391.063 M 305.400 391.198 L 306.008 392.300 L 306.413 393.515 L 306.548 394.798 L 306.435 396.080 L 306.075 397.318 L 305.490 398.465 L 304.680 399.500 L 303.690 400.333 L 302.565 400.963 L 301.890 401.188 L S 299.190 401.480 M 298.785 401.458 L 297.548 401.120 L 296.400 400.535 L 295.410 399.770 L S 367.793 421.685 M 306.390 396.598 L S 306.300 396.958 M 367.905 422.045 L S 367.905 422.360 M 306.188 397.295 L S 306.053 397.633 M 367.838 422.653 L S 367.748 422.945 M 305.895 397.970 L S 305.715 398.285 M 367.545 423.170 L 367.748 422.945 L 367.838 422.653 L 367.905 422.360 L 367.905 422.045 L 367.793 421.685 L S 365.610 425.015 M 365.655 424.295 L S 367.028 420.200 M 367.613 419.413 L 368.738 418.400 L 370.020 417.635 L 371.415 417.140 L 372.900 416.915 L 374.408 417.005 L 375.848 417.388 L 377.198 418.040 L 378.390 418.963 L 379.380 420.110 L 380.145 421.415 L 380.640 422.855 L 380.865 424.363 L 380.775 425.893 L 380.393 427.355 L 379.763 428.728 L 378.863 429.943 L 377.738 430.955 L 376.455 431.743 L 375.038 432.238 L 373.575 432.440 L 372.068 432.373 L 370.628 431.990 L 369.278 431.315 L 368.085 430.415 L 367.095 429.268 L 366.330 427.963 L 365.835 426.523 L 365.610 425.015 L S 375.803 432.013 M 376.838 431.450 L 377.715 430.640 L 378.435 429.605 L 378.953 428.368 L 379.268 426.995 L 379.335 425.533 L 379.155 424.048 L 378.773 422.563 L 378.165 421.190 L 377.355 419.930 L 376.410 418.850 L 375.330 418.018 L 374.183 417.433 L 372.990 417.118 L 371.798 417.095 L 370.673 417.365 L S 380.415 422.090 M 380.280 422.090 L 379.853 422.225 L 379.200 422.428 L 378.300 422.743 L 377.198 423.103 L 375.960 423.553 L 374.610 424.025 L 373.215 424.520 L 371.798 425.038 L 370.470 425.533 L 369.233 426.005 L 368.130 426.410 L 367.253 426.770 L 366.600 427.040 L 366.195 427.198 L 366.060 427.288 L S 370.673 417.365 M 369.818 417.793 L 369.120 418.513 L 368.558 419.458 L 368.175 420.583 L 367.995 421.888 L 368.018 422.090 L S 368.018 422.878 M 368.018 423.305 L 368.243 424.768 L 368.648 426.208 L 369.255 427.603 L 369.998 428.908 L 370.853 430.033 L 371.820 430.933 L 372.833 431.630 L 373.845 432.035 L 374.858 432.170 L 375.803 432.013 L S 256.508 443.690 M 296.265 400.445 L S 295.973 400.243 M 256.103 443.735 L S 255.810 443.645 M 295.680 399.995 L S 295.388 399.748 M 255.563 443.510 L S 255.338 443.353 M 295.140 399.478 L S 294.893 399.208 M 255.248 443.038 L 255.338 443.353 L 255.563 443.510 L 255.810 443.645 L 256.103 443.735 L 256.508 443.690 L S 249.015 441.125 M 250.523 440.518 L 252.075 440.158 L 253.628 440.090 L 255.135 440.315 L 255.315 440.383 L S 259.095 442.993 M 259.523 443.645 L 260.018 444.928 L 260.198 446.323 L 260.085 447.763 L 259.658 449.158 L 258.938 450.508 L 257.970 451.723 L 256.777 452.780 L 255.428 453.635 L 253.920 454.243 L 252.368 454.580 L 250.815 454.648 L 249.308 454.445 L 247.913 453.950 L 246.698 453.230 L 245.685 452.263 L 244.920 451.115 L 244.425 449.810 L 244.245 448.438 L 244.358 446.998 L 244.785 445.603 L 245.505 444.253 L 246.473 443.015 L 247.665 441.958 L 249.015 441.125 L S 254.753 440.225 M 254.280 440.270 L 253.718 440.563 L 253.110 441.125 L 252.480 441.935 L 251.828 442.948 L 251.175 444.140 L 250.590 445.445 L 250.050 446.840 L 249.600 448.235 L 249.240 449.608 L 249.015 450.890 L 248.903 452.060 L 248.903 453.028 L 249.060 453.770 L 249.330 454.288 L 249.690 454.535 L S 244.245 448.145 M 244.335 449.158 L 244.740 450.103 L 245.415 450.958 L 246.360 451.655 L 247.530 452.195 L 248.880 452.555 L 250.365 452.713 L 251.918 452.668 L 253.470 452.420 L 255.000 451.970 L 256.395 451.363 L 257.655 450.575 L 258.690 449.698 L 259.478 448.708 L 259.973 447.673 L 260.198 446.615 L S 258.960 450.485 M 259.342 449.653 L 259.478 448.708 L 259.320 447.718 L 258.893 446.705 L 258.217 445.738 L 257.295 444.815 L 256.193 444.005 L 255.923 443.848 L S 255.248 443.488 M 254.933 443.308 L 253.560 442.790 L 252.143 442.430 L 250.725 442.273 L 249.375 442.295 L 248.138 442.520 L 247.035 442.948 L 246.158 443.533 L 245.483 444.253 L S 294.173 337.445 M 298.470 388.565 L S 298.830 388.475 M 294.398 337.040 L S 294.645 336.860 M 299.213 388.430 L S 299.595 388.385 M 294.915 336.770 L S 295.185 336.747 M 299.978 388.385 L S 300.360 388.385 M 295.478 336.973 L 295.185 336.747 L 294.915 336.770 L 294.645 336.860 L 294.398 337.040 L 294.173 337.445 L S 287.940 336.253 M 287.175 334.745 L 286.703 333.148 L 286.523 331.505 L 286.635 329.908 L 287.063 328.400 L 287.760 327.028 L 288.705 325.880 L 289.875 324.958 L 291.225 324.328 L 292.688 324.013 L 294.217 324.013 L 295.770 324.328 L 297.255 324.958 L 298.628 325.858 L 299.842 327.028 L 300.833 328.378 L 301.598 329.885 L 302.070 331.505 L 302.250 333.148 L 302.115 334.745 L 301.710 336.253 L 301.013 337.625 L 300.045 338.773 L 298.875 339.695 L 297.525 340.303 L 297.525 340.325 L S 293.092 340.348 M 293.003 340.325 L 291.518 339.695 L 290.145 338.773 L 288.930 337.625 L 287.940 336.253 L S 300.360 338.458 M 300.315 338.143 L 300.068 337.603 L 299.595 336.860 L 298.920 335.938 L 298.065 334.880 L 297.053 333.733 L 295.973 332.518 L 294.803 331.303 L 293.633 330.133 L 292.485 329.053 L 291.428 328.085 L 290.460 327.275 L 289.650 326.668 L 289.020 326.285 L 288.615 326.128 L 288.413 326.195 L S 297.795 325.273 M 296.490 324.620 L 295.095 324.283 L 293.700 324.238 L 292.305 324.508 L 291.023 325.070 L 289.830 325.925 L 288.840 327.028 L 288.053 328.310 L 287.513 329.773 L 287.243 331.325 L 287.220 332.923 L 287.490 334.475 L 288.030 335.960 L 288.818 337.310 L 289.807 338.458 L 290.978 339.380 L S 288.773 337.423 M 289.290 337.918 L 290.010 338.188 L 290.888 338.255 L 291.923 338.075 L 293.048 337.693 L 294.217 337.085 L 294.330 336.995 L S 295.095 336.500 M 295.388 336.298 L 296.513 335.375 L 297.570 334.318 L 298.515 333.193 L 299.280 332.023 L 299.865 330.875 L 300.247 329.773 L 300.383 328.783 L 300.315 327.928 L 300.000 327.230 L S 399.923 399.163 M 378.300 418.873 L S 378.615 419.165 M 400.395 399.253 L S 400.665 399.523 M 378.908 419.480 L S 379.178 419.818 M 400.845 399.860 L S 400.845 400.355 M 379.425 420.155 L S 400.845 400.355 M 400.845 399.860 L 400.665 399.523 L 400.395 399.253 L 399.923 399.163 L S 398.685 397.340 M 398.348 395.810 L 398.280 394.258 L 398.483 392.773 L 398.933 391.355 L 399.653 390.118 L 400.553 389.060 L 401.655 388.250 L 402.893 387.710 L 404.220 387.463 L 405.570 387.508 L 406.920 387.868 L 408.203 388.520 L 409.373 389.420 L 410.385 390.545 L 411.195 391.850 L 411.780 393.313 L 412.118 394.820 L 412.185 396.373 L 411.983 397.880 L 411.510 399.275 L 410.813 400.535 L 409.890 401.593 L 408.810 402.403 L 407.573 402.943 L 406.245 403.190 L 404.895 403.123 L 403.545 402.763 L 402.240 402.133 L 401.070 401.233 L 400.710 400.828 L S 399.540 399.230 M 399.248 398.780 L 398.685 397.340 L S 407.820 402.853 M 406.965 403.033 L 406.020 402.898 L 405.053 402.493 L 404.085 401.818 L 403.163 400.873 L 402.330 399.725 L 401.610 398.420 L 401.025 396.980 L 400.598 395.473 L 400.350 393.965 L 400.283 392.525 L 400.418 391.175 L 400.733 389.983 L 401.205 388.993 L 401.858 388.273 L 402.623 387.800 L S 398.505 396.688 M 398.843 396.238 L 400.125 395.630 L 402.218 395.000 L 404.738 394.415 L 407.348 393.965 L 409.643 393.718 L 411.263 393.718 L 411.960 393.965 L S 404.490 387.440 M 405.503 387.575 L 406.515 388.003 L 407.460 388.723 L 408.338 389.690 L 409.080 390.860 L 409.688 392.233 L 410.115 393.695 L 410.363 395.225 L 410.408 396.755 L 410.250 398.240 L 409.913 399.613 L 409.373 400.828 L 408.698 401.818 L 407.888 402.560 L 406.965 403.033 L 405.975 403.190 L S 267.217 484.663 M 255.495 453.61 L 298.830 499.558 L 299.280 500.233 L 299.730 500.683 L 300.405 501.133 L 301.080 501.358 L 301.530 501.470 L 306.705 501.470 L 307.155 501.358 L 307.830 501.133 L 308.505 500.683 L 308.955 500.233 L 309.405 499.558 L 309.630 498.883 L 309.743 498.433 L 309.743 494.720 L S 309.743 504.395 M 308.618 504.733 L 307.493 505.070 L 306.368 505.295 L 305.805 505.408 L 304.680 505.520 L 303.555 505.520 L 302.430 505.408 L 301.868 505.295 L 300.743 505.070 L 299.618 504.733 L 298.493 504.395 L S 440.783 520.617 M 440.783 527.367 L 452.033 520.617 L 452.033 527.367 L S 445.283 530.293 M 452.033 530.293 L 448.320 530.293 L 447.870 530.405 L 447.195 530.630 L 446.520 531.080 L 446.070 531.530 L 445.620 532.205 L 445.395 532.880 L 445.283 533.330 L 445.283 534.005 L 445.395 534.455 L 445.620 535.130 L 446.070 535.805 L 446.520 536.255 L 447.195 536.705 L 447.870 536.930 L 448.320 537.043 L 452.033 537.043 L S 452.033 539.968 M 440.783 543.905 L 452.033 547.843 L S 448.658 541.093 M 448.658 546.718 L S 452.033 550.768 M 440.783 550.768 L 440.783 554.480 L 440.895 554.930 L 441.120 555.605 L 441.570 556.280 L 442.020 556.730 L 442.695 557.180 L 443.370 557.405 L 443.820 557.518 L 448.995 557.518 L 449.445 557.405 L 450.120 557.180 L 450.795 556.730 L 451.245 556.280 L 451.695 555.605 L 451.920 554.930 L 452.033 554.480 L 452.033 550.768 L S 358.500 534.432 M 358.500 535.108 L 358.388 535.557 L 358.163 536.233 L 357.713 536.908 L 357.263 537.358 L 356.588 537.807 L 355.913 538.033 L 355.463 538.145 L 350.288 538.145 L 349.838 538.033 L 349.163 537.807 L 348.488 537.358 L 348.038 536.908 L 347.588 536.233 L 347.363 535.557 L 347.250 535.108 L 347.250 534.432 L 347.363 533.983 L 347.588 533.307 L 348.038 532.633 L 348.488 532.182 L 349.163 531.733 L 349.838 531.508 L 350.288 531.395 L 355.463 531.395 L 355.913 531.508 L 356.588 531.733 L 357.263 532.182 L 357.713 532.633 L 358.163 533.307 L 358.388 533.983 L 358.500 534.432 L S 358.500 542.195 M 357.375 541.858 L 356.250 541.520 L 355.125 541.295 L 354.563 541.182 L 353.438 541.070 L 352.313 541.070 L 351.188 541.182 L 350.625 541.295 L 349.500 541.520 L 348.375 541.858 L 347.250 542.195 L S 349.500 545.120 M 347.250 547.370 L 358.500 547.370 L S 358.500 550.858 M 347.250 554.795 L 358.500 558.733 L S 355.125 551.983 M 355.125 557.608 L S 358.500 561.658 M 347.250 561.658 L 347.250 565.370 L 347.363 565.820 L 347.588 566.495 L 348.038 567.170 L 348.488 567.620 L 349.163 568.070 L 349.838 568.295 L 350.288 568.408 L 355.463 568.408 L 355.913 568.295 L 356.588 568.070 L 357.263 567.620 L 357.713 567.170 L 358.163 566.495 L 358.388 565.820 L 358.500 565.370 L 358.500 561.658 L S 358.500 571.333 M 357.375 571.670 L 356.250 572.008 L 355.125 572.233 L 354.563 572.345 L 353.438 572.458 L 352.313 572.458 L 351.188 572.345 L 350.625 572.233 L 349.500 572.008 L 348.375 571.670 L 347.250 571.333 L S 317.100 315.598 M 317.100 316.273 L 316.988 316.723 L 316.763 317.398 L 316.313 318.073 L 315.863 318.523 L 315.188 318.973 L 314.513 319.198 L 314.063 319.310 L 308.888 319.310 L 308.438 319.198 L 307.763 318.973 L 307.088 318.523 L 306.638 318.073 L 306.188 317.398 L 305.963 316.723 L 305.850 316.273 L 305.850 315.598 L 305.963 315.148 L 306.188 314.473 L 306.638 313.798 L 307.088 313.348 L 307.763 312.898 L 308.438 312.673 L 308.888 312.560 L 314.063 312.560 L 314.513 312.673 L 315.188 312.898 L 315.863 313.348 L 316.313 313.798 L 316.763 314.473 L 316.988 315.148 L 317.100 315.598 L S 317.100 323.360 M 315.975 323.023 L 314.850 322.685 L 313.725 322.460 L 313.163 322.348 L 312.038 322.235 L 310.913 322.235 L 309.788 322.348 L 309.225 322.460 L 308.100 322.685 L 306.975 323.023 L 305.850 323.360 L S 308.100 326.285 M 305.850 328.535 L 317.100 328.535 L S 317.100 332.023 M 305.850 332.023 L 305.850 335.735 L 305.963 336.298 L 306.188 336.860 L 306.525 337.310 L 306.863 337.648 L 307.313 337.985 L 307.875 338.210 L 308.438 338.210 L 309.000 338.210 L 309.563 337.985 L 310.013 337.648 L 310.350 337.310 L 310.688 336.860 L 310.913 336.298 L 311.025 335.735 L 311.025 332.023 L 311.025 335.735 L 311.138 336.185 L 311.363 336.860 L 311.813 337.535 L 312.263 337.985 L 312.938 338.435 L 313.613 338.660 L 314.063 338.660 L 314.513 338.660 L 315.188 338.435 L 315.863 337.985 L 316.313 337.535 L 316.763 336.860 L 316.988 336.185 L 317.100 335.735 L 317.100 332.023 L S 317.100 341.698 M 305.850 341.698 L 305.850 345.410 L 305.963 345.973 L 306.188 346.535 L 306.525 346.985 L 306.863 347.323 L 307.313 347.660 L 307.875 347.885 L 308.438 347.885 L 309.000 347.885 L 309.563 347.660 L 310.013 347.323 L 310.350 346.985 L 310.688 346.535 L 310.913 345.973 L 311.025 345.410 L 311.025 341.698 L 311.025 345.410 L 311.138 345.860 L 311.363 346.535 L 311.813 347.210 L 312.263 347.660 L 312.938 348.110 L 313.613 348.335 L 314.063 348.335 L 314.513 348.335 L 315.188 348.110 L 315.863 347.660 L 316.313 347.210 L 316.763 346.535 L 316.988 345.860 L 317.100 345.410 L 317.100 341.698 L S 317.100 351.372 M 315.975 351.710 L 314.850 352.048 L 313.725 352.273 L 313.163 352.385 L 312.038 352.497 L 310.913 352.497 L 309.788 352.385 L 309.225 352.273 L 308.100 352.048 L 306.975 351.710 L 305.850 351.372 L S 180.008 264.928 M 180.008 271.678 L 191.258 264.928 L 191.258 271.678 L S 184.508 274.603 M 191.258 274.603 L 187.545 274.603 L 187.095 274.715 L 186.420 274.940 L 185.745 275.390 L 185.295 275.840 L 184.845 276.515 L 184.620 277.190 L 184.508 277.640 L 184.508 278.315 L 184.620 278.765 L 184.845 279.440 L 185.295 280.115 L 185.745 280.565 L 186.420 281.015 L 187.095 281.240 L 187.545 281.353 L 191.258 281.353 L S 191.258 284.277 M 180.008 288.215 L 191.258 292.152 L S 187.883 285.402 M 187.883 291.027 L S 191.258 301.828 M 191.258 295.078 L 180.008 295.078 L 180.008 301.828 L S 185.633 295.078 M 185.633 300.140 L S 260.423 241.325 M 260.423 242.000 L 260.310 242.450 L 260.085 243.125 L 259.635 243.800 L 259.185 244.250 L 258.510 244.700 L 257.835 244.925 L 257.385 245.038 L 252.210 245.038 L 251.760 244.925 L 251.085 244.700 L 250.410 244.250 L 249.960 243.800 L 249.510 243.125 L 249.285 242.450 L 249.173 242.000 L 249.173 241.325 L 249.285 240.875 L 249.510 240.200 L 249.960 239.525 L 250.410 239.075 L 251.085 238.625 L 251.760 238.400 L 252.210 238.288 L 257.385 238.288 L 257.835 238.400 L 258.510 238.625 L 259.185 239.075 L 259.635 239.525 L 260.085 240.200 L 260.310 240.875 L 260.423 241.325 L S 260.423 249.088 M 259.298 248.750 L 258.173 248.413 L 257.048 248.188 L 256.485 248.075 L 255.360 247.963 L 254.235 247.963 L 253.110 248.075 L 252.548 248.188 L 251.423 248.413 L 250.298 248.750 L 249.173 249.088 L S 251.423 252.013 M 249.173 254.263 L 260.423 254.263 L S 260.423 257.750 M 249.173 261.688 L 260.423 265.625 L S 257.048 258.875 M 257.048 264.500 L S 260.423 275.300 M 260.423 268.550 L 249.173 268.550 L 249.173 275.300 L S 254.798 268.550 M 254.798 273.613 L S 260.423 278.225 M 259.298 278.563 L 258.173 278.900 L 257.048 279.125 L 256.485 279.238 L 255.360 279.350 L 254.235 279.350 L 253.110 279.238 L 252.548 279.125 L 251.423 278.900 L 250.298 278.563 L 249.173 278.225 L S /#copies 1 def showpage XSave restore %%Trailer %%EOF SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction -------------------------------------------------------------------------- Equivalent reflections defined by point group 2/m for scaling Equivalent reflections defined by point group 2/m for error model Reading file i12158_0m.raw Mean and maximum errors in direction cosine check function = 0.000 0.001 The mean error should not exceed 0.005, and is usually caused by matrix changes during data processing. Approximate wavelength, cell and maximum 2-theta (from cosines etc.): 0.71074 17.386 10.660 19.798 89.983 114.197 90.010 54.37 ============================================================================== PART 1 - Refinement of parameters to model systematic errors Thresholds should now be specified for excluding reflections from the parameter refinement; these reflections may still be corrected and included in the final output .hkl file 29101 Reflections of which 7810 unique; 29.91 data per frame Redundancy: 1 2 3 4 5 6 7 8 9+ Number of groups: 660 1788 1840 1375 776 621 293 207 250 Mean(I/sigma): -inf 0 1 2 3 5 10 15 20 +inf Number of groups: 1940 790 657 541 479 1357 801 441 804 Settings for parameter refinement: Maximum resolution = 0.1000 A (Intensity/sigma) threshold = 1.500 Restraint esd for equal adjacent scale factors = 0.0050 Maximum odd and even orders for spherical harmonics = 3 6 20951 Reflections employed for parameter determination Effective data to parameter ratio = 15.66 wR2(int) = 0.0535 (selected reflections only, before parameter refinement) Cycle wR2(incid) wR2(diffr) Mean wt. 1 0.0513 0.0474 0.9319 2 0.0466 0.0463 0.9329 3 0.0461 0.0461 0.9328 4 0.0460 0.0460 0.9328 5 0.0459 0.0459 0.9327 6 0.0459 0.0459 0.9327 7 0.0459 0.0459 0.9327 8 0.0458 0.0459 0.9326 9 0.0458 0.0458 0.9326 10 0.0458 0.0458 0.9326 11 0.0458 0.0458 0.9326 12 0.0458 0.0458 0.9326 13 0.0458 0.0458 0.9326 14 0.0458 0.0458 0.9326 15 0.0458 0.0458 0.9326 16 0.0458 0.0458 0.9326 17 0.0458 0.0458 0.9326 18 0.0458 0.0458 0.9326 19 0.0458 0.0458 0.9326 20 0.0458 0.0458 0.9326 21 0.0458 0.0458 0.9325 22 0.0458 0.0458 0.9325 23 0.0457 0.0458 0.9325 24 0.0457 0.0458 0.9325 25 0.0457 0.0458 0.9325 26 0.0457 0.0458 0.9325 27 0.0457 0.0458 0.9325 28 0.0457 0.0458 0.9325 29 0.0457 0.0458 0.9325 30 0.0457 0.0458 0.9325 31 0.0457 0.0458 0.9325 32 0.0457 0.0458 0.9325 33 0.0457 0.0458 0.9325 34 0.0457 0.0458 0.9325 35 0.0457 0.0458 0.9325 36 0.0457 0.0458 0.9325 37 0.0457 0.0458 0.9325 38 0.0457 0.0458 0.9325 39 0.0457 0.0458 0.9325 40 0.0457 0.0458 0.9325 41 0.0457 0.0458 0.9325 42 0.0457 0.0458 0.9325 43 0.0457 0.0458 0.9325 44 0.0457 0.0458 0.9325 45 0.0457 0.0458 0.9325 46 0.0457 0.0458 0.9325 47 0.0457 0.0458 0.9325 48 0.0457 0.0458 0.9325 49 0.0457 0.0458 0.9325 50 0.0457 0.0458 0.9325 wR2(int) = 0.0458 (selected reflections only, after parameter refinement) ============================================================================== PART 2 - Reject outliers and establish error model Rejected reflections are ignored in the statistics and Postscript plots (except the detector diagnostics) and in the output .hkl file Before applying rejections there are: 29101 total and 7810 unique reflections assuming Friedel's law. Reflections rejected for which |I-|/su > 4.00 Where: su^2 = sigma(I)^2 + ( 0.04000 )^2 (sigma(I) from SAINT) 28960 total and 7810 unique reflections left after |I-|/su test (gI) raised to power 2.000 in error model g = 0.0413 gave best error model; g set to 0.0413 for statistics and .hkl file output Run 2-theta R(int) Incid. factors Diffr. factors K Total I>2sig(I) 1 27.5 0.0339 0.813 - 0.925 0.944 - 1.059 0.643 20380 15358 2 15.0 0.0371 0.884 - 0.917 0.957 - 1.045 0.659 4152 3316 3 20.0 0.0288 0.907 - 0.974 0.941 - 1.037 0.628 4428 3606 su = K * Sqrt[ sigma^2(I) + (g)^2.00 ] where sigma(I) is from SAINT The above statistics are based on all non-rejected data, ignoring reflections without equivalents when estimating R(int) and K. ============================================================================== PART 3 - Output Postscript diagnostics and corrected data Diagnostic plots written to Postscript file C:\frames\guest\i12158\work\i12158.eps 28960 Corrected reflections written to file C:\frames\guest\i12158\work\i12158_0m.hkl Estimated minimum and maximum transmission: 0.6617 0.7455 The ratio of these values is more reliable than their absolute values! 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H15B 0.30010 0.92091 0.26487 1.00000 0.03138 0.00000 0.00000 H15C 0.35174 1.00149 0.33531 1.00000 0.03138 0.00000 0.00000 C16 0.60280 0.72629 0.35000 1.00000 0.02081 0.01615 0.02158 0.00104 0.00631 0.00339 0.02029 0.00434 0.00013 0.00019 0.00011 0.00000 0.00114 0.00099 0.00102 0.00081 0.00091 0.00091 0.00045 H16A 0.63866 0.65851 0.37700 1.00000 0.03044 0.00000 0.00000 H16B 0.63131 0.80473 0.36735 1.00000 0.03044 0.00000 0.00000 H16C 0.58960 0.71703 0.29815 1.00000 0.03044 0.00000 0.00000 C17 0.61230 0.72576 0.15316 1.00000 0.02531 0.02520 0.02777 0.00073 0.01178 0.00891 0.02579 0.00487 0.00015 0.00021 0.00012 0.00000 0.00124 0.00116 0.00114 0.00093 0.00100 0.00101 0.00050 H17A 0.60000 0.67409 0.11020 1.00000 0.03869 0.00000 0.00000 H17B 0.61310 0.67481 0.19347 1.00000 0.03869 0.00000 0.00000 H17C 0.66640 0.76482 0.16674 1.00000 0.03869 0.00000 0.00000 C18 0.54751 0.90171 0.07651 1.00000 0.02728 0.02273 0.01850 -0.00173 0.01281 -0.00032 0.02171 0.00450 0.00015 0.00020 0.00011 0.00000 0.00124 0.00112 0.00099 0.00082 0.00094 0.00096 0.00047 H18A 0.53290 0.85254 0.03230 1.00000 0.03256 0.00000 0.00000 H18B 0.60241 0.93794 0.08998 1.00000 0.03256 0.00000 0.00000 H18C 0.50671 0.96743 0.06775 1.00000 0.03256 0.00000 0.00000 C19 0.42280 0.59281 0.12580 1.00000 0.03018 0.01738 0.03036 -0.00676 0.00981 -0.00254 0.02682 0.00458 0.00016 0.00019 0.00013 0.00000 0.00131 0.00107 0.00119 0.00090 0.00105 0.00099 0.00052 H19A 0.39594 0.51546 0.12870 1.00000 0.04024 0.00000 0.00000 H19B 0.48122 0.57742 0.13705 1.00000 0.04024 0.00000 0.00000 H19C 0.39561 0.62665 0.07665 1.00000 0.04024 0.00000 0.00000 C20 0.32718 0.68631 0.17074 1.00000 0.02738 0.02413 0.03349 -0.00828 0.01480 -0.01321 0.02757 0.00458 0.00015 0.00021 0.00013 0.00000 0.00130 0.00116 0.00124 0.00096 0.00108 0.00103 0.00053 H20A 0.31135 0.60482 0.18145 1.00000 0.04136 0.00000 0.00000 H20B 0.29121 0.70929 0.12075 1.00000 0.04136 0.00000 0.00000 H20C 0.32141 0.74682 0.20434 1.00000 0.04136 0.00000 0.00000 C21 0.32577 0.88994 0.01383 1.00000 0.02206 0.03267 0.01865 -0.00302 0.00228 0.00184 0.02645 0.00450 0.00015 0.00022 0.00011 0.00000 0.00121 0.00126 0.00104 0.00091 0.00094 0.00103 0.00052 H21A 0.30919 0.96005 -0.01961 1.00000 0.03968 0.00000 0.00000 H21B 0.27967 0.83180 0.00065 1.00000 0.03968 0.00000 0.00000 H21C 0.37338 0.84884 0.01071 1.00000 0.03968 0.00000 0.00000 C22 0.27707 0.99374 0.09558 1.00000 0.02085 0.03119 0.02480 0.00020 0.00630 0.00476 0.02662 0.00476 0.00014 0.00022 0.00012 0.00000 0.00118 0.00124 0.00111 0.00095 0.00097 0.00103 0.00051 H22A 0.23112 0.93522 0.08177 1.00000 0.03993 0.00000 0.00000 H22B 0.26003 1.06546 0.06340 1.00000 0.03993 0.00000 0.00000 H22C 0.29265 1.02016 0.14588 1.00000 0.03993 0.00000 0.00000 C23 0.71498 1.03032 0.45619 1.00000 0.02054 0.03249 0.02344 -0.00082 0.00200 0.00343 0.02780 0.00457 0.00014 0.00023 0.00012 0.00000 0.00120 0.00128 0.00110 0.00095 0.00098 0.00104 0.00053 H23A 0.73550 1.08137 0.50005 1.00000 0.04170 0.00000 0.00000 H23B 0.74055 1.05698 0.42381 1.00000 0.04170 0.00000 0.00000 H23C 0.72905 0.94404 0.46966 1.00000 0.04170 0.00000 0.00000 C24 0.58476 0.99738 0.46598 1.00000 0.03037 0.02385 0.01599 -0.00068 0.00842 -0.00221 0.02377 0.00446 0.00015 0.00020 0.00011 0.00000 0.00130 0.00110 0.00098 0.00084 0.00095 0.00101 0.00049 H24A 0.60372 1.04658 0.51053 1.00000 0.03565 0.00000 0.00000 H24B 0.59991 0.91106 0.47837 1.00000 0.03565 0.00000 0.00000 H24C 0.52456 1.00426 0.44031 1.00000 0.03565 0.00000 0.00000 C25 0.36211 1.23881 0.26888 1.00000 0.02150 0.02759 0.03153 0.00569 0.01273 0.00632 0.02627 0.00479 0.00014 0.00022 0.00012 0.00000 0.00120 0.00120 0.00120 0.00096 0.00102 0.00101 0.00051 H25A 0.31308 1.21135 0.27558 1.00000 0.03940 0.00000 0.00000 H25B 0.36125 1.20390 0.22383 1.00000 0.03940 0.00000 0.00000 H25C 0.36213 1.32880 0.26608 1.00000 0.03940 0.00000 0.00000 C26 0.44023 1.24983 0.39968 1.00000 0.04256 0.02447 0.02795 -0.00345 0.01995 0.00595 0.02986 0.00506 0.00017 0.00021 0.00012 0.00000 0.00152 0.00118 0.00116 0.00096 0.00114 0.00112 0.00055 H26A 0.39185 1.22218 0.40739 1.00000 0.04479 0.00000 0.00000 H26B 0.44007 1.33983 0.39689 1.00000 0.04479 0.00000 0.00000 H26C 0.49071 1.22227 0.44021 1.00000 0.04479 0.00000 0.00000 C27 0.66538 1.33180 0.39568 1.00000 0.03532 0.02396 0.03084 -0.00812 0.00173 -0.00718 0.03393 0.00457 0.00016 0.00022 0.00013 0.00000 0.00147 0.00120 0.00126 0.00099 0.00113 0.00112 0.00061 H27A 0.68782 1.41180 0.39045 1.00000 0.05089 0.00000 0.00000 H27B 0.71080 1.27326 0.41817 1.00000 0.05089 0.00000 0.00000 H27C 0.63491 1.34079 0.42637 1.00000 0.05089 0.00000 0.00000 C28 0.54752 1.38653 0.28275 1.00000 0.03439 0.01525 0.02512 -0.00229 0.01014 -0.00265 0.02560 0.00465 0.00015 0.00019 0.00012 0.00000 0.00137 0.00101 0.00110 0.00085 0.00103 0.00099 0.00051 H28A 0.57802 1.45826 0.27741 1.00000 0.03840 0.00000 0.00000 H28B 0.51589 1.40956 0.31085 1.00000 0.03840 0.00000 0.00000 H28C 0.50961 1.35741 0.23464 1.00000 0.03840 0.00000 0.00000 Final Structure Factor Calculation for i12158 in P2(1)/n Total number of l.s. parameters = 359 Maximum vector length = 511 Memory required = 5780 / 22995 wR2 = 0.0682 before cycle 21 for 7377 data and 0 / 359 parameters GooF = S = 1.036; Restrained GooF = 1.036 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0240 * P )^2 + 2.30 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 R1 = 0.0273 for 6032 Fo > 4sig(Fo) and 0.0376 for all 7377 data wR2 = 0.0682, GooF = S = 1.036, Restrained GooF = 1.036 for all data Occupancy sum of asymmetric unit = 38.00 for non-hydrogen and 54.00 for hydrogen atoms Principal mean square atomic displacements U 0.0124 0.0116 0.0109 Zr1 0.0131 0.0128 0.0109 Zr2 0.0160 0.0133 0.0130 N1 0.0151 0.0141 0.0115 N2 0.0212 0.0167 0.0140 N3 0.0247 0.0196 0.0125 N4 0.0232 0.0172 0.0129 N5 0.0204 0.0196 0.0140 N6 0.0217 0.0195 0.0131 N7 0.0276 0.0227 0.0126 N8 0.0306 0.0157 0.0132 C1 0.0482 0.0202 0.0158 C2 0.0572 0.0210 0.0145 C3 0.0482 0.0166 0.0151 C4 0.0305 0.0150 0.0108 C5 0.0255 0.0120 0.0091 C6 0.0356 0.0267 0.0157 C7 0.0354 0.0194 0.0151 C8 0.0243 0.0142 0.0124 C9 0.0349 0.0185 0.0140 C10 0.0447 0.0188 0.0116 C11 0.0337 0.0172 0.0150 C12 0.0208 0.0163 0.0112 C13 0.0194 0.0138 0.0087 C14 0.0287 0.0206 0.0135 C15 0.0257 0.0209 0.0143 C16 0.0344 0.0277 0.0154 C17 0.0276 0.0230 0.0145 C18 0.0358 0.0302 0.0145 C19 0.0415 0.0288 0.0124 C20 0.0363 0.0274 0.0157 C21 0.0342 0.0270 0.0187 C22 0.0372 0.0296 0.0166 C23 0.0323 0.0233 0.0157 C24 0.0360 0.0256 0.0172 C25 0.0444 0.0296 0.0156 C26 0.0533 0.0334 0.0151 C27 0.0366 0.0256 0.0146 C28 Analysis of variance for reflections employed in refinement K = Mean[Fo^2] / Mean[Fc^2] for group Fc/Fc(max) 0.000 0.011 0.020 0.030 0.042 0.055 0.072 0.095 0.128 0.191 1.000 Number in group 806. 688. 722. 749. 723. 735. 745. 730. 737. 742. GooF 0.869 0.980 1.075 1.070 1.100 1.066 1.069 1.035 1.110 0.987 K 1.064 0.919 0.954 0.985 1.015 1.014 1.004 1.008 1.004 0.997 Resolution(A) 0.78 0.81 0.84 0.88 0.92 0.98 1.06 1.17 1.33 1.68 inf Number in group 748. 745. 737. 719. 747. 738. 739. 727. 734. 743. GooF 0.942 0.855 0.873 0.845 0.856 0.841 0.889 0.847 1.009 1.918 Table 1. Crystal data and structure refinement for i12158. Identification code i12158 Empirical formula C28 H54 N8 Zr2 Formula weight 685.23 Temperature 296(2) K Wavelength 0.71073 A Crystal system, space group Monoclinic, P2(1)/n Unit cell dimensions a = 17.3751(13) A alpha = 90 deg. b = 10.6498(8) A beta = 114.206(2) deg. c = 19.7808(14) A gamma = 90 deg. Volume 3338.4(4) A^3 Z, Calculated density 4, 1.363 Mg/m^3 Absorption coefficient 0.653 mm^-1 F(000) 1432 Crystal size 0.20 x 0.18 x 0.18 mm Theta range for data collection 2.03 to 27.10 deg. Limiting indices -22<=h<=21, -13<=k<=13, -18<=l<=25 Reflections collected / unique 28055 / 7377 [R(int) = 0.0333] Completeness to theta = 25.00 99.9 % Absorption correction Semi-empirical from equivalents Max. and min. transmission 0.8915 and 0.8804 Refinement method Full-matrix least-squares on F^2 Data / restraints / parameters 7377 / 0 / 359 Goodness-of-fit on F^2 1.036 Final R indices [I>2sigma(I)] R1 = 0.0273, wR2 = 0.0635 R indices (all data) R1 = 0.0376, wR2 = 0.0682 Largest diff. peak and hole 0.813 and -0.333 e.A^-3 Table 2. Atomic coordinates ( x 10^4) and equivalent isotropic displacement parameters (A^2 x 10^3) for i12158. U(eq) is defined as one third of the trace of the orthogonalized Uij tensor. ________________________________________________________________ x y z U(eq) ________________________________________________________________ Zr(1) 4655(1) 9021(1) 1750(1) 12(1) Zr(2) 5279(1) 10874(1) 3175(1) 12(1) N(1) 5205(1) 10837(2) 2094(1) 14(1) N(2) 4701(1) 9073(1) 2814(1) 14(1) N(3) 5483(1) 8214(2) 1367(1) 17(1) N(4) 4161(1) 6832(2) 1795(1) 19(1) N(5) 3486(1) 9340(2) 891(1) 18(1) N(6) 6243(1) 10432(2) 4186(1) 18(1) N(7) 4373(1) 11972(2) 3309(1) 18(1) N(8) 6079(1) 12850(2) 3220(1) 21(1) C(1) 6463(1) 11510(2) 1933(1) 20(1) C(2) 6844(2) 12339(2) 1619(1) 28(1) C(3) 6376(2) 13225(2) 1102(1) 31(1) C(4) 5512(2) 13244(2) 870(1) 27(1) C(5) 5100(1) 12433(2) 1165(1) 19(1) C(6) 5583(1) 11577(2) 1733(1) 16(1) C(7) 6984(1) 10517(2) 2471(1) 26(1) C(8) 4156(1) 12452(2) 884(1) 23(1) C(9) 3891(1) 8190(2) 3465(1) 17(1) C(10) 3792(2) 7244(2) 3910(1) 23(1) C(11) 4383(2) 6302(2) 4206(1) 25(1) C(12) 5102(2) 6319(2) 4066(1) 22(1) C(13) 5225(1) 7241(2) 3618(1) 16(1) C(14) 4604(1) 8178(2) 3292(1) 14(1) C(15) 3249(1) 9219(2) 3181(1) 21(1) C(16) 6028(1) 7263(2) 3500(1) 20(1) C(17) 6123(2) 7258(2) 1532(1) 26(1) C(18) 5475(2) 9017(2) 765(1) 22(1) C(19) 4228(2) 5928(2) 1258(1) 27(1) C(20) 3272(2) 6863(2) 1707(1) 28(1) C(21) 3258(2) 8899(2) 138(1) 26(1) C(22) 2771(1) 9937(2) 956(1) 27(1) C(23) 7150(1) 10303(2) 4562(1) 28(1) C(24) 5848(2) 9974(2) 4660(1) 24(1) C(25) 3621(1) 12388(2) 2689(1) 26(1) C(26) 4402(2) 12498(2) 3997(1) 30(1) C(27) 6654(2) 13318(2) 3957(1) 34(1) C(28) 5475(2) 13865(2) 2828(1) 26(1) ________________________________________________________________ Table 3. Bond lengths [A] and angles [deg] for i12158. _____________________________________________________________ Zr(1)-N(3) 2.0688(17) Zr(1)-N(2) 2.0735(16) Zr(1)-N(5) 2.0739(17) Zr(1)-N(1) 2.1406(16) Zr(1)-N(4) 2.4981(17) Zr(1)-Zr(2) 3.2412(3) Zr(2)-N(7) 2.0639(17) Zr(2)-N(6) 2.0677(16) Zr(2)-N(1) 2.0887(16) Zr(2)-N(2) 2.1471(16) Zr(2)-N(8) 2.5035(17) N(1)-C(6) 1.396(3) N(2)-C(14) 1.400(2) N(3)-C(17) 1.443(3) N(3)-C(18) 1.462(3) N(4)-C(19) 1.474(3) N(4)-C(20) 1.482(3) N(5)-C(22) 1.447(3) N(5)-C(21) 1.452(3) N(6)-C(23) 1.447(3) N(6)-C(24) 1.455(3) N(7)-C(25) 1.447(3) N(7)-C(26) 1.453(3) N(8)-C(27) 1.476(3) N(8)-C(28) 1.484(3) C(1)-C(2) 1.393(3) C(1)-C(6) 1.415(3) C(1)-C(7) 1.509(3) C(2)-C(3) 1.383(3) C(3)-C(4) 1.378(4) C(4)-C(5) 1.394(3) C(5)-C(6) 1.423(3) C(5)-C(8) 1.501(3) C(9)-C(10) 1.395(3) C(9)-C(14) 1.415(3) C(9)-C(15) 1.499(3) C(10)-C(11) 1.382(3) C(11)-C(12) 1.386(3) C(12)-C(13) 1.397(3) C(13)-C(14) 1.417(3) C(13)-C(16) 1.506(3) N(3)-Zr(1)-N(2) 129.77(6) N(3)-Zr(1)-N(5) 111.23(7) N(2)-Zr(1)-N(5) 116.44(7) N(3)-Zr(1)-N(1) 101.84(7) N(2)-Zr(1)-N(1) 80.04(6) N(5)-Zr(1)-N(1) 105.78(6) N(3)-Zr(1)-N(4) 85.74(6) N(2)-Zr(1)-N(4) 81.94(6) N(5)-Zr(1)-N(4) 86.95(6) N(1)-Zr(1)-N(4) 161.23(6) N(3)-Zr(1)-Zr(2) 122.45(5) N(2)-Zr(1)-Zr(2) 40.67(4) N(5)-Zr(1)-Zr(2) 118.65(5) N(1)-Zr(1)-Zr(2) 39.39(4) N(4)-Zr(1)-Zr(2) 122.32(4) N(7)-Zr(2)-N(6) 111.27(7) N(7)-Zr(2)-N(1) 114.28(6) N(6)-Zr(2)-N(1) 132.18(7) N(7)-Zr(2)-N(2) 105.71(7) N(6)-Zr(2)-N(2) 101.62(6) N(1)-Zr(2)-N(2) 79.55(6) N(7)-Zr(2)-N(8) 87.76(6) N(6)-Zr(2)-N(8) 86.54(6) N(1)-Zr(2)-N(8) 81.51(6) N(2)-Zr(2)-N(8) 160.06(6) N(7)-Zr(2)-Zr(1) 117.07(5) N(6)-Zr(2)-Zr(1) 123.51(5) N(1)-Zr(2)-Zr(1) 40.57(4) N(2)-Zr(2)-Zr(1) 39.00(4) N(8)-Zr(2)-Zr(1) 121.70(4) C(6)-N(1)-Zr(2) 131.95(13) C(6)-N(1)-Zr(1) 126.14(12) Zr(2)-N(1)-Zr(1) 100.05(7) C(14)-N(2)-Zr(1) 134.55(12) C(14)-N(2)-Zr(2) 123.59(12) Zr(1)-N(2)-Zr(2) 100.33(7) C(17)-N(3)-C(18) 110.20(17) C(17)-N(3)-Zr(1) 142.96(14) C(18)-N(3)-Zr(1) 106.24(13) C(19)-N(4)-C(20) 108.47(17) C(19)-N(4)-Zr(1) 117.01(13) C(20)-N(4)-Zr(1) 109.38(13) C(22)-N(5)-C(21) 110.48(17) C(22)-N(5)-Zr(1) 125.94(13) C(21)-N(5)-Zr(1) 123.44(14) C(23)-N(6)-C(24) 109.82(17) C(23)-N(6)-Zr(2) 142.92(15) C(24)-N(6)-Zr(2) 106.88(13) C(25)-N(7)-C(26) 110.40(18) C(25)-N(7)-Zr(2) 122.42(14) C(26)-N(7)-Zr(2) 127.07(14) C(27)-N(8)-C(28) 108.50(17) C(27)-N(8)-Zr(2) 117.35(14) C(28)-N(8)-Zr(2) 109.32(13) C(2)-C(1)-C(6) 119.9(2) C(2)-C(1)-C(7) 120.1(2) C(6)-C(1)-C(7) 119.91(19) C(3)-C(2)-C(1) 121.3(2) C(4)-C(3)-C(2) 119.1(2) C(3)-C(4)-C(5) 121.8(2) C(4)-C(5)-C(6) 119.4(2) C(4)-C(5)-C(8) 120.42(19) C(6)-C(5)-C(8) 120.22(18) N(1)-C(6)-C(1) 120.71(18) N(1)-C(6)-C(5) 121.06(19) C(1)-C(6)-C(5) 118.22(19) C(10)-C(9)-C(14) 119.57(19) C(10)-C(9)-C(15) 120.0(2) C(14)-C(9)-C(15) 120.40(18) C(11)-C(10)-C(9) 121.9(2) C(10)-C(11)-C(12) 118.7(2) C(11)-C(12)-C(13) 121.4(2) C(12)-C(13)-C(14) 119.8(2) C(12)-C(13)-C(16) 120.14(19) C(14)-C(13)-C(16) 120.00(18) N(2)-C(14)-C(9) 121.18(18) N(2)-C(14)-C(13) 120.42(18) C(9)-C(14)-C(13) 118.39(18) _____________________________________________________________ Symmetry transformations used to generate equivalent atoms: Table 4. Anisotropic displacement parameters (A^2 x 10^3) for i12158. The anisotropic displacement factor exponent takes the form: -2 pi^2 [ h^2 a*^2 U11 + ... + 2 h k a* b* U12 ] _______________________________________________________________________ U11 U22 U33 U23 U13 U12 _______________________________________________________________________ Zr(1) 12(1) 11(1) 11(1) 0(1) 4(1) 0(1) Zr(2) 13(1) 12(1) 12(1) -1(1) 5(1) 0(1) N(1) 15(1) 14(1) 13(1) 0(1) 6(1) -1(1) N(2) 15(1) 13(1) 14(1) 1(1) 7(1) -1(1) N(3) 19(1) 18(1) 16(1) 1(1) 9(1) 2(1) N(4) 18(1) 16(1) 23(1) -4(1) 8(1) -4(1) N(5) 15(1) 21(1) 15(1) -1(1) 3(1) 2(1) N(6) 18(1) 20(1) 14(1) 0(1) 5(1) 0(1) N(7) 19(1) 19(1) 18(1) -2(1) 9(1) 3(1) N(8) 23(1) 16(1) 21(1) -4(1) 6(1) -4(1) C(1) 22(1) 20(1) 21(1) -7(1) 12(1) -7(1) C(2) 29(1) 33(1) 29(1) -11(1) 18(1) -14(1) C(3) 45(2) 29(1) 26(1) -7(1) 22(1) -19(1) C(4) 46(2) 18(1) 19(1) -2(1) 16(1) -7(1) C(5) 30(1) 13(1) 15(1) -3(1) 11(1) -4(1) C(6) 22(1) 13(1) 15(1) -5(1) 11(1) -6(1) C(7) 17(1) 29(1) 31(1) -5(1) 9(1) -3(1) C(8) 32(1) 17(1) 19(1) 2(1) 8(1) 4(1) C(9) 20(1) 17(1) 17(1) -4(1) 10(1) -5(1) C(10) 27(1) 22(1) 24(1) -5(1) 17(1) -7(1) C(11) 44(2) 16(1) 22(1) 1(1) 19(1) -6(1) C(12) 31(1) 15(1) 17(1) 0(1) 8(1) 2(1) C(13) 19(1) 15(1) 13(1) -2(1) 6(1) -2(1) C(14) 18(1) 13(1) 11(1) -4(1) 6(1) -3(1) C(15) 18(1) 22(1) 26(1) -3(1) 13(1) -2(1) C(16) 21(1) 16(1) 22(1) 1(1) 6(1) 3(1) C(17) 25(1) 25(1) 28(1) 1(1) 12(1) 9(1) C(18) 27(1) 23(1) 19(1) -2(1) 13(1) 0(1) C(19) 30(1) 17(1) 30(1) -7(1) 10(1) -2(1) C(20) 27(1) 24(1) 34(1) -8(1) 15(1) -13(1) C(21) 22(1) 33(1) 19(1) -3(1) 2(1) 2(1) C(22) 21(1) 31(1) 25(1) 0(1) 6(1) 5(1) C(23) 21(1) 33(1) 23(1) -1(1) 2(1) 3(1) C(24) 30(1) 24(1) 16(1) -1(1) 8(1) -2(1) C(25) 22(1) 28(1) 32(1) 6(1) 13(1) 6(1) C(26) 43(2) 24(1) 28(1) -3(1) 20(1) 6(1) C(27) 35(2) 24(1) 31(1) -8(1) 2(1) -7(1) C(28) 34(1) 15(1) 25(1) -2(1) 10(1) -3(1) _______________________________________________________________________ Table 5. Hydrogen coordinates ( x 10^4) and isotropic displacement parameters (A^2 x 10^3) for i12158. ________________________________________________________________ x y z U(eq) ________________________________________________________________ H(2A) 7423 12297 1759 34 H(3A) 6640 13799 914 37 H(4A) 5195 13814 505 32 H(7A) 7534 10481 2467 39 H(7B) 6712 9716 2326 39 H(7C) 7037 10722 2960 39 H(8A) 3929 13046 485 35 H(8B) 3999 12692 1278 35 H(8C) 3936 11632 708 35 H(10A) 3314 7246 4011 27 H(11A) 4299 5669 4493 30 H(12A) 5511 5704 4275 26 H(15A) 2816 9093 3358 31 H(15B) 3001 9209 2649 31 H(15C) 3517 10015 3353 31 H(16A) 6387 6585 3770 30 H(16B) 6313 8047 3673 30 snIn JnJnIJosIToUIhoAI|o-Io#IoIoIo#Io-IpAI:pUINpsIbpIlpIqpIqpIlpIbpJNp'J:pKEoKqp""1Zm./Zm./m3/n=/1nL/En[/Tno/cn/mn/mn/mn/cn/Tn/En01n0n0m0Zm0m0n#01n70OnK0cni0wn0n0n0n0wn0cn0On11n1n"1m"1Zm/o"1o}0oi0 oK0o-0+o0?o0]o/{o/o/o/o0o0o-0p+0p0p0p1p1q"1q"18q1Lq1jq0q0q0q0q0q0qi0qK0q70q#0jq0Lq08q0q08q0Qq0jq/~q/q/q/q/q/qo/q[/qL/~q=/jq3/Qq./8q./q3/q=/pL/p[/po/p"3`1`1|a1a1a2a2a+2aD2a]2av2a2a2a2a2a2a2|a2`2|a2a2a2a3a%3aC3aW3ak3a3a3a3a3a3a3|a3`2b3b93b%3b3b2b2b2b2b2 c2*c2>c2\c2zc2c3d1dH3dH3X$X8XVXtXXXY(YFYZYxYYtYVY8YhZhZ+V[t&[:[X[v[[[[[[t \V \8*\$*\*\ \ \[[[[[[[[[\ \C\*\\ \[[[[[[q[X[D[5[&[,2 80 ,2800\80,2?J =J ?v=v:>>==/=M=k======>:>N>$l>$>>>>??$IGIGIFGFHeH*>6<*>6<=G=[>o>%>*>*>%>>>-=A=U=_=d=dq=_S=U5=A!=- ==<<==j=Q6*b D0 *>Rp 0 Db>pHR\>p*  *>.RBpV`ee`VB$.9eZfPH<4(   4jHVfB83~38BVj (<PZ+6Th~jL.hkR>/ hO 6/">R%dF2qS25F!d | !5Sq%mm&;%1%% %%%%%%i%K%7%#&1&'+'I'#g'7{'K'i'''''{' g'I'1+';I'g'{'''5'I'g'{'{'g'I'+''&&&&&&w&{r&gr&Iw&&|&&%%u+D W+: 9+& %+ + + + + + +r %+T 9+@ W+, u+" + o, ," ,, ,@ ,T ,r , , , , , , ,& ,: ,D .W+9+%++++p+R+>+ %+9+ W+ u+ + o, , , , ,, ,>,R,p,,,,,,o,Q,=,,,++++p+R+>+ +, , =, Q, &&f&}R&i>&K4&-/&/&4&>&R&f&&&y&t't'y''(((#(#((-(K(i'}''/&"/&N#( x d z Z \ U H U * Z  d x  & : D  I * I H D \ : z &  =I I D : (& F Z n x x x nr Z^ FJ (@ ; ; 6 ,    t j j j t s d Z U U Z d (s < K Z d d d Z K <, (6 ; ; @ J ^ r t ` V V V ` t& : D I <2}2s2_1K1-1111112y2e<2[P2V63VJ3[h3e3y3333333-3K3_h3sJ3}.h33'3;3Y3w333333 h3!J3+630P20<2+2!2 111111w1Y1;2'2<2 P2n22 22'2;2Y2w222222 2!2+n20h6 J6 ,6 6 6 5 5 5b 5N 60 6 ,6J6h6|6b7v7777 70 7N 7b 7 7 7 7 7 7 v7 Y6 5 7 !7 7- 7A 7_ 7} 7 7 v7 b7 |6 h6 J6 ,6 6} 6_ 5A 5- 5 5 6 6 ,6 J6 h6 |6 b7 v7 7 7 7 7 7 7 22d2P2<2m22O-2;-222 <2P2d22223333344 !4!4;4O4m33332D-2!42C-2!4P@2@@@??p?\?>?*? @@2@P@d@JA^A|AAAA A*A>A\ApAAA|A^AA@e?AP@i2@s@@???? ??;@Y@m2@P@d@@@@@m@YAdAHD G: G& G G G G G G Gr GT G@ G, H" H H I" ,I, JI@ ^IT rIr |I I I |I rI ^I JI& ,I: ID G G/I/+,IJI^IrI|I=IQIo|IrI^IJI,IIHHHHHHxHsHosHQsHonHdHUHFH2HHHGGGGGGGoGQG8GG GG{G]G?G+GGb GDG0G GG+G?G]G{GGuHHHHHHHHH0HDHbHHHHlG9GHHGfH8fHdM5$}M+$_M$KM$7M#-M#(M#(M#-M#7Mc#KME#_M1#}M#M#M#N#N#N#N1#NE# Oc#O#O#O#O# O#N$N$N+$N5$M$(M %O %N%N%N% O&O.&OB&O`&Ot& O&N&N&N&N&N&wN&cN&EN&'N&N&M&Mt&M`&MB&M&M%N%(M%(M&9D#D#C#C#C#C#Cq#CS#C?#C!#C#C"D"9D"MD"3E"GE"eE"E"E#E!#E?#ES#Eq#E#E#E#E#eE#GE#*Dz$C$E$.D&C&Cn&CP&C2&C&C&C%C%C%C%D%9D~%MDy%3Ey%GE~%eE%E%E%E%E%E&E&E2&EP&En&E&eE&GE&3E&E&E&D&D&Dn&DP&D2&D&D&D%D%D%D%D%E~%Ey%%6@(66(5"(5(5'5'5'5'5'5n'5P'5<'6('%6'96'7'37'Q7('o7<'7P'7n'7'7'7'7'7'7(o7"(Q76(37@(6(5+)7+)5)5*7**&0c0Y/E/1///////s/_0K&0A:0< 1<41AR1Kp1_1s11111111p1ER1Y41c0/N 1N =1p!1!1!1!1!p1!R1"41" 1" 1"0"0!0!0!0!0!0p!0W!0>!{0*!l0!X0 !?0!&0! 0!/ !/!/*!/>!/W!/p!/!/!/!/!/!/! 0!&0!?0!X0!l0!{0!0!0!0!0p!0\!0>!0 !0 !0 1 1 41 R1 p1 !1 !1>!1\!1p!*@%*6%q*"%]*%I*$?*$:*$:*$?*$I*n$]*P$q*<$*($*$*$+$+$+($+<$ ,P$,n$),$.,$.,$),$,$ ,%+"%+6%+@%*%:*+&.,+&.+&+& ,&,'),9'.,M'.,k'),',' ,'+'+'+'+'*'*'*'q*']*'I*'?*':*k':*M'?*9'I*']*&q*&*&*&*&*&*&+&/+&C+&W+'a+9'f+M'f+k'a+'W+'C+'/+'+'*'*'?(2>2> 2>1>1>1>1>1>t1>V1>81>$1>1?1?1?1@1.@1L@$1`@81t@V1~@t1@1@1~@1t@1`@1L@ 2.@2@(2?2>2>2>2>3>"3>63>T3>h3>3>3>3>3?3?34?3H?3f?3?3?3@2@3!@4@5~@5t@45`@R5L@f5.@z5@5?5?5?5>z5>f5>R5>45>5>5>4>4>4>4>4>l4?b4?]4?]4@b4.@l4L@4`@4t@4~@4@4636362|62h62^62Y62Y6q2^6]2h6?2|6!26 26161617171718 2*8!2>8?2H8]2M8q2M82H82>82*82827373636363|63h63^6 4Y64Y6=4^6Q4h6o4|64646464646474074N74b74M83M846F5Y65M85E:hE:JE:6Eo:"EQ:E3:E:E:E9"E96E9JE9hE9E9Ez9Fz9F9F9F9F9F9G9G:G:G3:FQ:Fo:F:F:F:E-;hE7;JEK;6E_;"E};E;E;E;E;"E;6EE>E=E=F=F=G<G>% cy%b[%bG%b3%b)%b$%b$%ib)%Ub3%7bG%b[%by%a%a%a&a&a&a&b&b '7b'Ub'ib'b'b 'b&b&b&b& c%cy%c[%cG%c3%c)%d$%d$%5d)%Id3%gdG%d[%dy%d%d%d%d%d%d&d-&d'c'd+&Me&ae&ue 'e'e'e'e'e 'f&3f&Gf&[f&ef&ef}&ef_&[fA&Gf-&3f&f&e &e &e &e&e%f%)f%8f%Gf%Qf%Qf~%Qfe%GfQ%8fB%)f3%f)%e$%e$%e)%e3%eB%eQ%pee%ae>f5>R5>45>5>5>4>4>4>4>4>l4?b4?]4?]4@b4.@l4L@4`@4t@4~@4@4636362|62h62^62Y62Y6q2^6]2h6?2|6!26 26161617171718 2*8!2>8?2H8]2M8q2M82H82>82*82827373636363|63h63^6 4Y64Y6=4^6Q4h6o4|64:UMF@@0LQsh `|{KEJ+YG)hs j\Ymr Dm|pn!WUSLptiUgb{r{d MXW\eaL---Wp~D]O--$,=-%,D]_$Ԅ9-$D9vpns )]AH=IXXIEX%.wX[J0ZbE de=}#$bm1 TE 1ce GJcBVP^LcQBB4DpYd _+3aHF@+@e]X\RZ8?MmA&OCG UGEDuW<[raw !Mean an` maximum errorsin direction cosine check function = 0.000 0.004 The mean error should not exceed 0.005, and is usually caused by matrix changes during data processing. Approximate wavelength, cell and maximum 2-theta (from cosines etc.): 0.71076 9.443 7.171 18.146 90.002 90.619 90.018 71.94 ============================================================================== PART 1 - Refinement of parameters to model systematic errors Thresholds should now be specified for excluding reflections from the parameter refinement; these reflections may still be corrected and included in the final output .hkl file 59079 Reflections of which 6107 unique; 32.37 data per frame Redundancy: 1 2 3 4 5 6 7 8 9+ Number of groups: 8 16 63 121 346 543 489 735 3786 Mean(I/sigma): -inf 0 1 2 3 5 10 15 20 +inf Number of groups: 2707 858 522 381 265 641 247 138 348 Settings for parameter refinement: Maximum resolution = 0.1000 A (Intensity/sigma) threshold = 1.500 Restraint esd for equal adjacent scale factors = 0.0050 Maximum odd and even orders for spherical harmonics = 3 6 31122 Reflections employed for parameter determination Effective data to parameter ratio = 14.87 wR2(int) = 0.0592 (selected reflections only, before parameter refinement) Cycle wR2(incid) wR2(diffr) Mean wt. 1 0.0564 0.0554 0.8960 2 0.0548 0.0546 0.8958 3 0.0545 0.0545 0.8955 4 0.0544 0.0544 0.8954 5 0.0544 0.0544 0.8954 6 0.0543 0.0543 0.8954 7 0.0543 0.0543 0.8954 8 0.0543 0.0543 0.8953 9 0.0543 0.0543 0.8953 10 0.0543 0.0543 0.8953 11 0.0543 0.0543 0.8953 12 0.0543 0.0543 0.8953 13 0.0543 0.0543 0.8953 14 0.0543 0.0543 0.8953 15 0.0543 0.0543 0.8953 16 0.0543 0.0543 0.8953 17 0.0543 0.0543 0.8953 18 0.0543 0.0543 0.8953 19 0.0543 0.0543 0.8953 20 0.0543 0.0543 0.8953 21 0.0543 0.0543 0.8953 22 0.0543 0.0543 0.8953 23 0.0543 0.0543 0.8953 24 0.0543 0.0543 0.8953 25 0.0543 0.0543 0.8953 26 0.0543 0.0543 0.8953 27 0.0543 0.0543 0.8953 28 0.0543 0.0543 0.8953 29 0.0543 0.0543 0.8953 30 0.0543 0.0543 0.8953 31 0.0543 0.0543 0.8953 32 0.0543 0.0543 0.8953 33 0.0543 0.0543 0.8953 34 0.0543 0.0543 0.8953 35 0.0543 0.0543 0.8953 36 0.0543 0.0543 0.8953 37 0.0543 0.0543 0.8953 38 0.0543 0.0543 0.8953 39 0.0543 0.0543 0.8953 40 0.0543 0.0543 0.8953 41 0.0543 0.0543 0.8953 42 0.0543 0.0543 0.8953 43 0.0543 0.0543 0.8953 44 0.0543 0.0543 0.8953 45 0.0543 0.0543 0.8953 46 0.0543 0.0543 0.8953 47 0.0543 0.0543 0.8953 48 0.0543 0.0543 0.8953 49! !0.0543 >tHICBPG\URCEVAJRZc~ENT\_NALLYBUS@BLANK0543 0.8953 wR2(int) = 0.0543 (selected reflections only, after parameter refinement) ============================================================================== PART 2 - Rejecu ouuliers anz establist {or model Rejected reflections are ignored in the statistics and Postscript plots (except the detector diagnostics) and in the output .hkl file Before applying rejections there are: 59079 total and 6107 unique reflections assuming Friedel's law. Reflections rejected for which |I-|/su > 4.00 Where: su^2 = sigma(I)^2 + ( 0.04000 )^2 (sigma(I) from SAINT) 59075 total and 6107 unique reflections left after |I-|/su test (gI) raised to power 2.000 in error model g = 0.0280 gave best error model; g set to 0.0280 for statistics and .hkl file output Run 2-theta R(int) Incid. factors Diffr. factors K Total I>2sig(I) 1 -46.4 0.0749 0.802 - 0.871 0.976 - 1.023 0.671 3747 2030 2 59.4 0.0929 0.788 - 0.905 0.986 - 1.025 0.640 3468 1844 3 21.6 0.0330 0.887 - 0.923 0.976 - 1.017 0.648 2164 1516 4 -68.7 0.1455 0.761 - 0.858 0.996 - 1.027 0.653 3300 1580 5 4.5 0.0272 0.886 - 0.974 0.988 - 1.035 0.657 2230 1771 6 -13.9 0.0306 0.817 - 0.898 0.996 - 1.027 0.639 1746 1263 7 -60.9 0.1098 0.815 - 0.871 0.996 - 1.027 0.644 3933 2049 8 -70.1 0.1481 0.753 - 0.859 0.980 - 1.036 0.652 2953 1409 9 61.6 0.1058 0.831 - 0.893 0.976 - 1.011 0.648 3409 1771 10 54.9 0.0785 0.786 - 0.846 0.992 - 1.035 0.647 4359 2575 11 57.8 0.0801 0.809 - 0.898 0.997 - 1.032 0.641 3720 2149 12 10.3 0.0310 0.830 - 0.881 0.996 - 1.025 0.672 1450 1121 13 -65.2 0.1234 0.821 - 0.881 0.996 - 1.033 0.637 3136 1520 14 -48.9 0.0749 0.830 - 0.894 0.976 - 1.030 0.664 3781 2074 15 -69.0 0.1360 0.826 - 0.882 0.994 - 1.024 0.625 2969 1567 16 -70.8 0.1551 0.755 - 0.870 0.986 - 1.015 0.636 2707 1353 17 -7.5 0.0247 0.856 - 0.895 0.976 - 1.025 0.668 1295 1030 18 65.5 0.1050 0.814 - 0.884 0.988 - 1.024 0.634 3235 1700 19 63.7 0.1159 0.809 - 0.880 0.976 - 1.016 0.649 3796 1984 20 16.1 0.0307 0.897 - 0.929 0.979 - 1.024 0.640 1677 1208 su = K * Sqrt[ sigma^2(I) + (g)^2.00 ] where sigma(I) is from SAINT The above statistics are based on all non-rejected data, ignoring reflections without equivalents when estimating R(int) and K. ============================================================================== PART 3 - Output Postscript diagnostics and corrected data Diagnostic plots written to Postscript file C:\frames\guest\i13500\work\i13500.eps 59075 Corrected reflections written to file C:\frames\guest\i13500\work\i13500_0m.hkl Estimated minimum and maximum transmission: 0.9145 0.9703 The ratio of these values is more reliable than their absolute values! Additional spherical absorption correction applied with mu*r = 0.0200 Lambda/2 correction factor = 0.0015 TITL i9182 in P2(1)/c CELL 0.71073 9.2612 13.3961 15.9045 90.000 90.332 90.000 ZERR 4.00 0.0003 0.0004 0.0005 0.000 0.002 0.000 LATT 1 SYMM -X, 0.5+Y, 0.5-Z SFAC C H N Cl Au UNIT 72 108 12 4 4 L.S. 20 BOND FMAP 2 PLAN 10 SIZE 0.06 0.10 0.22 TEMP 23.000 WPDB CONF ACTA 50 WGHT 0.051000 FVAR 0.25899 AU1 5 0.558123 0.464744 0.203185 11.00000 0.02333 0.02748 = 0.03099 -0.00226 -0.00034 -0.00216 CL1 4 0.790742 0.410813 0.184815 11.00000 0.02168 0.03729 = 0.06804 -0.01148 0.00000 -0.00023 N1 3 0.334363 0.696695 0.420792 11.00000 0.02761 0.04076 = 0.02236 -0.00010 -0.00139 0.00432 H1 2 0.295727 0.750454 0.399065 11.00000 -1.20000 N2 3 0.328536 0.608013 0.251975 11.00000 0.02213 0.02448 = 0.02538 -0.00409 0.00181 -0.00328 N3 3 0.232378 0.472278 0.207154 11.00000 0.02178 0.02904 = 0.02975 -0.00552 -0.00095 0.00160 C1 1 0.355189 0.712128 0.512479 11.00000 0.03200 0.04312 = 0.02747 -0.00364 -0.00170 0.00347 C2 1 0.203630 0.726174 0.547551 11.00000 0.04929 0.07259 = 0.03570 -0.00704 0.00309 0.00460 AFIX 137 H2A 2 0.161951 0.785987 0.524688 11.00000 -1.50000 H2B 2 0.208741 0.731451 0.607691 11.00000 -1.50000 H2C 2 0.144792 0.669926 0.532351 11.00000 -1.50000 AFIX 0 C3 1 0.447631 0.802831 0.531346 11.00000 0.05510 0.04700 = 0.03511 -0.01204 -0.00038 0.00119 AFIX 137 H3A 2 0.407301 0.860200 0.503699 11.00000 -1.50000 H3B 2 0.543881 0.791597 0.511355 11.00000 -1.50000 H3C 2 0.450274 0.814154 0.590937 11.00000 -1.50000 AFIX 0 C4 1 0.423858 0.618499 0.549376 11.00000 0.05408 0.05424 = 0.03121 0.00511 -0.00314 -0.00021 AFIX 137 H4A 2 0.371406 0.560805 0.530513 11.00000 -1.50000 H4B 2 0.421156 0.621828 0.609641 11.00000 -1.50000 H4C 2 0.522314 0.613822 0.531239 11.00000 -1.50000 AFIX 0 C5 1 0.465142 0.680782 0.371302 11.00000 0.03005 0.04108 = 0.03206 -0.00957 -0.00248 -0.00055 AFIX 23 H5A 2 0.507119 0.616712 0.385934 11.00000 -1.20000 H5B 2 0.535200 0.732238 0.384846 11.00000 -1.20000 AFIX 0 C6 1 0.432327 0.683236 0.277069 11.00000 0.03124 0.02700 = 0.02981 -0.00690 0.00212 -0.00615 AFIX 23 H6A 2 0.395108 0.748617 0.262199 11.00000 -1.20000 H6B 2 0.521247 0.672998 0.246314 11.00000 -1.20000 AFIX 0 C7 1 0.360911 0.516766 0.221450 11.00000 0.02455 0.03310 = 0.02000 0.00343 -0.00232 -0.00591 C8 1 0.180801 0.621280 0.255586 11.00000 0.03039 0.03109 = 0.03724 -0.00834 0.00029 0.00148 AFIX 43 H8A 2 0.132446 0.678197 0.273538 11.00000 -1.20000 AFIX 0 C9 1 0.120580 0.536060 0.228151 11.00000 0.02312 0.04089 = 0.03524 -0.00463 0.00165 0.00340 AFIX 43 H9A 2 0.022331 0.522428 0.224025 11.00000 -1.20000 AFIX 0 C10 1 0.199251 0.294953 0.233180 11.00000 0.01781 0.04023 = 0.02956 0.00314 -0.00008 -0.00106 C11 1 0.171428 0.198550 0.202136 11.00000 0.02156 0.02720 = 0.03744 0.00709 -0.00136 -0.00437 AFIX 43 H11A 2 0.168704 0.144933 0.239237 11.00000 -1.20000 AFIX 0 C12 1 0.147878 0.182091 0.116679 11.00000 0.01861 0.03281 = 0.03700 -0.00423 0.00390 -0.00320 C13 1 0.156364 0.262022 0.062549 11.00000 0.02950 0.03906 = 0.02451 -0.00687 -0.00312 0.00041 AFIX 43 H13A 2 0.140484 0.251036 0.005503 11.00000 -1.20000 AFIX 0 C14 1 0.187665 0.358582 0.089405 11.00000 0.02315 0.03479 = 0.02564 -0.00228 0.00182 0.00179 C15 1 0.208999 0.371485 0.176189 11.00000 0.01927 0.03421 = 0.02730 -0.00777 0.00123 -0.00520 C16 1 0.218409 0.311682 0.326294 11.00000 0.06292 0.05677 = 0.02403 0.00037 -0.00403 -0.00998 AFIX 137 H16A 2 0.296465 0.357557 0.335748 11.00000 -1.50000 H16B 2 0.239875 0.249300 0.353316 11.00000 -1.50000 H16C 2 0.131089 0.338844 0.349122 11.00000 -1.50000 AFIX 0 C17 1 0.111888 0.077416 0.085906 11.00000 0.04789 0.03888 = 0.04785 -0.01108 0.00404 -0.00142 AFIX 137 H17A 2 0.147388 0.068882 0.029773 11.00000 -1.50000 H17B 2 0.009105 0.068141 0.086154 11.00000 -1.50000 H17C 2 0.156463 0.029181 0.122376 11.00000 -1.50000 AFIX 0 C18 1 0.198988 0.444135 0.028445 11.00000 0.06357 0.03748 = 0.03680 0.00291 -0.00095 -0.00164 AFIX 137 H18A 2 0.179348 0.420614 -0.027479 11.00000 -1.50000 H18B 2 0.294664 0.471598 0.030900 11.00000 -1.50000 H18C 2 0.130174 0.494758 0.043036 11.00000 -1.50000 HKLF 4 REM i9182 in P2(1)/c REM R1 = 0.0322 for 2839 Fo > 4sig(Fo) and 0.0427 for all 3459 data REM 217 parameters refined using 0 restraints END WGHT 0.0460 0.0000 REM Highest difference peak 2.038, deepest hole -0.666, 1-sigma level 0.155 Q1 1 0.5572 0.5358 0.2018 11.00000 0.05 2.04 Q2 1 0.5439 0.3988 0.2184 11.00000 0.05 1.75 Q3 1 0.5288 0.5245 0.2272 11.00000 0.05 1.75 Q4 1 0.5545 0.6133 0.2047 11.00000 0.05 1.02 Q5 1 0.4453 0.4700 0.2065 11.00000 0.05 0.96 Q6 1 0.3234 0.4618 0.3905 11.00000 0.05 0.92 Q7 1 0.6412 0.4714 0.2446 11.00000 0.05 0.75 Q8 1 0.6807 0.4493 0.1952 11.00000 0.05 0.73 Q9 1 0.5103 0.8228 0.2792 11.00000 0.05 0.71 Q10 1 0.4169 0.8233 0.2477 11.00000 0.05 0.57 1 9 1 3553.39 3422.57 146.73 o 0 9 1 498.23 473.32 38.86 o 1 9 1 35.04 71.25 25.67 o 2 9 1 1410.93 1206.25 64.96 o 3 9 1 2923.40 2574.13 128.13 o 4 9 1 2026.40 2019.17 78.67 o 5 9 1 2009.41 1849.69 108.21 o 6 9 1 1961.92 1890.11 138.26 o 7 9 1 997.13 804.75 133.32 o 8 9 1 243.93 293.16 119.18 o 9 9 1 4.50 -32.48 116.86 o -8 10 1 4678.02 4947.41 305.07 o -7 10 1 7497.33 7103.86 318.61 o -6 10 1 7476.19 7542.25 255.62 o -5 10 1 2664.35 2683.44 126.17 o -4 10 1 13.99 19.96 34.45 o -3 10 1 697.16 646.83 63.93 o -2 10 1 3498.04 3349.73 102.08 o -1 10 1 16785.37 15183.06 264.77 o 0 10 1 14561.22 13857.74 267.64 o 1 10 1 10888.48 9696.19 428.71 o 2 10 1 18066.42 16798.43 306.75 o 3 10 1 8484.49 8501.17 206.99 o 4 10 1 1282.60 1131.97 102.79 o 5 10 1 200.75 121.41 46.13 o 6 10 1 665.26 636.39 91.30 o 7 10 1 3427.14 3268.06 226.00 o 8 10 1 3773.72 3591.10 361.34 o -7 11 1 89.07 -35.92 78.21 o -6 11 1 4696.40 4577.30 196.77 o -5 11 1 6451.38 6570.74 188.25 o -4 11 1 4326.84 4259.32 187.82 o -3 11 1 15734.91 15268.82 328.76 o -2 11 1 14268.03 13706.18 287.17 o -1 11 1 1180.12 1209.06 68.20 o 0 11 1 1705.57 1540.48 83.13 o 1 11 1 91.81 68.51 35.75 o 2 11 1 6323.53 6528.14 230.20 o 3 11 1 6809.62 6230.62 195.34 o 4 11 1 5425.75 5143.37 218.84 o 5 11 1 7249.24 6884.10 330.44 o 6 11 1 6633.70 7150.07 249.38 o 7 11 1 3275.11 3730.02 266.86 o -7 12 1 1055.20 1239.64 160.01 o -6 12 1 1381.25 1215.35 105.95 o -5 12 1 499.04 619.45 161.68 o -4 12 1 19.51 27.12 58.43 o -3 12 1 466.30 385.49 68.40 o -2 12 1 1340.53 1279.77 91.57 o -1 12 1 558.87 541.83 61.71 o 0 12 1 1554.35 1516.85 107.01 o 1 12 1 3800.47 3698.91 137.96 o 2 12 1 1023.13 1051.97 89.95 o 3 12 1 1429.20 1561.19 116.48 o 4 12 1 2819.34 2964.05 182.92 o 5 12 1 32.43 -16.69 74.73 o 6 12 1 917.28 832.94 168.84 o 7 12 1 89.74 54.19 79.31 o -6 13 1 2175.14 2232.00 534.83 o -5 13 1 5326.40 5771.29 497.04 o -4 13 1 7646.30 8942.25 307.77 o -3 13 1 10238.00 11291.23 328.25 o -2 13 1 9155.60 9506.66 281.01 o -1 13 1 1833.30 1767.94 106.19 o 0 13 1 479.80 456.43 72.17 o 1 13 1 153.35 40.13 45.56 o 2 13 1 1681.31 1934.12 122.92 o 3 13 1 6520.09 7192.09 435.10 o 4 13 1 6111.23 6490.83 324.64 o 5 13 1 6004.33 6255.49 347.98 o 6 13 1 7506.85 7931.74 822.56 o -5 14 1 57.79 -12.73 109.35 o -4 14 1 38.03 126.06 94.95 o -3 14 1 363.74 441.10 88.20 o -2 14 1 100.24 92.29 67.16 o -1 14 1 78.31 108.85 62.05 o 0 14 1 375.28 300.88 79.19 o 1 14 1 49.64 23.19 53.19 o 2 14 1 23.20 3.77 74.96 o 3 14 1 213.14 105.28 88.60 o 4 14 1 102.01 113.42 236.97 o 5 14 1 18.59 0.07 92.53 o -3 15 1 4627.28 6127.22 337.54 o -2 15 1 4366.99 5723.19 324.22 o -1 15 1 2763.46 3324.88 193.37 o 0 15 1 766.78 815.07 152.48 o 1 15 1 114.55 174.82 95.43 o 2 15 1 1284.51 1626.60 194.19 o 3 15 1 2778.65 3385.96 352.58 o -10 0 2 621.32 314.56 257.76 o -9 0 2 9694.88 10306.85 507.66 o -8 0 2 25704.45 25657.23 1425.12 o -7 0 2 18754.91 19721.86 489.48 o -6 0 2 25836.72 25645.14 556.49 o -5 0 2 47061.07 47357.22 1284.54 o -4 0 2 2599.47 2383.57 99.74 o -3 0 2 1007.94 1157.31 63.44 o -2 0 2 7622.73 8254.85 150.20 o -1 0 2 35372.64 41066.52 531.11 o 0 0 2 102373.78 118707.90 1468.49 o 1 0 2 37645.74 41811.68 474.06 o 2 0 2 71651.70 76728.89 910.73 o 3 0 2 47361.63 51481.52 699.62 o 4 0 2 21725.57 22511.83 347.35 o 5 0 2 3967.19 4087.18 133.99 o 6 0 2 265.10 178.49 53.86 o 7 0 2 808.56 728.60 92.67 o 8 0 2 6466.25 6506.94 338.79 o 9 0 2 17021.23 17592.01 754.39 o 10 0 2 8819.75 9854.08 790.29 o -10 1 2 562.79 577.52 196.70 o -9 1 2 555.21 543.73 112.14 o -8 1 2 813.41 674.72 93.95 o -7 1 2 6.66 12.89 38.30 o -6 1 2 2900.72 2887.30 99.30 o -5 1 2 265.74 227.37 31.83 o -4 1 2 833.17 876.28 44.26 o -3 1 2 12525.50 13544.81 153.60 o -2 1 2 47.82 102.09 15.74 o -1 1 2 86.76 112.82 10.49 o 0 1 2 20131.10 22892.91 228.03 o 1 1 2 221.51 181.71 15.53 o 2 1 2 94.05 105.51 24.63 o 3 1 2 104.84 121.92 21.65 o 4 1 2 1997.98 1853.18 63.55 o 5 1 2 2037.65 2113.91 85.86 o 6 1 2 581.44 605.19 54.21 o 7 1 2 654.27 769.57 65.92 o 8 1 2 615.29 524.32 83.46 o 9 1 2 120.32 84.09 94.84 o 10 1 2 13.95 115.74 164.76 o -10 2 2 2846.85 2696.09 258.02 o -9 2 2 7110.90 7190.65 423.76 o -8 2 2 8375.17 9013.66 262.77 o -7 2 2 18625.03 18159.98 269.25 o -6 2 2 17452.13 17805.00 292.67 o -5 2 2 15066.09 15046.24 193.93 o -4 2 2 20305.37 20974.25 223.70 o -3 2 2 1087.42 1103.24 37.00 o -2 2 2 6715.31 7089.22 82.37 o -1 2 2 26434.82 28857.99 369.88 o 0 2 2 85472.83 97067.60 1210.40 o 1 2 2 70112.30 75554.35 580.72 o 2 2 2 31509.87 32983.99 280.83 o 3 2 2 27951.31 27848.60 284.67 o 4 2 2 22658.05 22185.29 284.47 o 5 2 2 2739.57 2760.00 118.51 o 6 2 2 40.61 24.89 30.51 o 7 2 2 828.74 853.67 77.28 o 8 2 2 6599.47 6451.53 218.47 o 9 2 2 13219.91 14249.02 452.68 o 10 2 2 8860.68 9532.07 473.24 o -10 3 2 1616.77 2007.83 223.04 o -9 3 2 5974.33 5934.05 285.80 o -8 3 2 104.31 157.91 68.72 o -7 3 2 2781.04 2557.59 102.50 o -6 3 2 48.35 69.87 32.28 o -5 3 2 673.21 644.85 43.96 o -4 3 2 29251.65 29486.64 396.62 o -3 3 2 23320.21 24018.33 281.41 o -2 3 2 4751.76 4569.43 75.55 o -1 3 2 45218.91 51142.95 676.59 o 0 3 2 21342.97 24380.14 293.68 o 1 3 2 13664.70 14809.54 175.21 o 2 3 2 1940.18 1933.32 40.40 o 3 3 2 100.93 82.99 17.69 o 4 3 2 8252.14 7879.99 126.20 o 5 3 2 15634.22 15027.25 254.69 o 6 3 2 7894.45 7782.37 167.71 o 7 3 2 5855.84 5514.49 157.03 o 8 3 2 8468.07 8931.96 295.75 o 9 3 2 1054.52 851.81 139.37 o 10 3 2 427.54 368.97 178.69 o -10 4 2 1262.66 1367.23 167.68 o -9 4 2 1920.45 1972.86 181.47 o -8 4 2 2697.60 2671.26 202.74 o -7 4 2 10745.19 10378.35 246.42 o -6 4 2 16684.57 16957.67 405.89 o -5 4 2 6182.20 5705.51 134.25 o -4 4 2 2916.00 2832.81 80.57 o -3 4 2 1842.57 1898.74 58.93 o -2 4 2 4347.32 4905.94 83.72 o -1 4 2 16497.13 17686.36 234.50 o 0 4 2 9661.89 10421.78 147.29 o 1 4 2 21426.86 22106.64 216.08 o 2 4 2 44951.09 46065.61 372.48 o 3 4 2 15704.06 15889.67 175.83 o 4 4 2 4935.88 4734.56 93.10 o 5 4 2 2573.91 2378.94 82.64 o 6 4 2 270.36 205.84 36.88 o 7 4 2 2164.11 2238.53 130.47 o 8 4 2 1890.96 2117.23 244.52 o 9 4 2 3668.71 3701.42 346.65 o 10 4 2 3875.47 4562.30 326.21 o -10 5 2 5596.44 5792.42 318.26 o -9 5 2 4331.25 4311.23 227.58 o -8 5 2 1306.73 1294.94 114.13 o -7 5 2 34.39 55.12 48.39 o -6 5 2 1963.72 1936.37 87.08 o -5 5 2 9413.26 8746.85 171.54 o -4 5 2 26960.91 26293.07 358.08 o -3 5 2 41336.74 41372.77 692.56 o -2 5 2 29884.39 30144.09 411.09 o -1 5 2 34253.36 35150.86 450.68 o 0 5 2 15668.56 15254.04 198.24 o 1 5 2 376.03 329.48 18.41 o 2 5 2 232.67 169.53 17.07 o 3 5 2 12534.30 12482.75 154.70 o 4 5 2 20134.43 19490.74 232.91 o 5 5 2 20518.23 19562.39 249.81 o 6 5 2 23945.23 23484.96 313.60 o 7 5 2 12410.56 12706.01 282.33 o 8 5 2 5779.47 5963.90 243.64 o 9 5 2 1882.35 1906.77 207.78 o 10 5 2 0.85 -28.03 98.25 o -10 6 2 596.89 473.58 112.10 o -9 6 2 421.03 266.92 89.41 o -8 6 2 165.79 117.24 60.74 o -7 6 2 1733.40 1620.46 113.12 o -6 6 2 3836.37 3534.32 253.72 o -5 6 2 767.97 756.53 64.08 o -4 6 2 210.64 165.69 32.84 o -3 6 2 502.43 487.37 46.03 o -2 6 2 86.25 46.34 28.74 o -1 6 2 2282.18 2285.24 68.85 o 0 6 2 4216.87 4390.46 97.01 o 1 6 2 736.44 646.81 29.81 o 2 6 2 5961.37 6165.51 105.04 o 3 6 2 6547.94 6207.97 105.10 o 4 6 2 21.00 21.16 23.29 o 5 6 2 422.84 433.55 41.68 o 6 6 2 537.52 552.08 56.34 o 7 6 2 453.79 445.79 69.54 o 8 6 2 120.98 127.31 74.78 o 9 6 2 43.31 65.10 97.87 o 10 6 2 662.42 435.78 136.72 o -9 7 2 2842.55 3241.86 732.82 o -8 7 2 2437.76 2449.45 227.16 o -7 7 2 992.37 626.93 118.17 o -6 7 2 4730.64 4383.98 182.64 o -5 7 2 14602.08 14353.18 250.53 o -4 7 2 18969.56 18112.47 256.85 o -3 7 2 44083.81 42511.55 644.53 o -2 7 2 47338.96 45922.52 631.60 o -1 7 2 20790.97 20159.22 335.62 o 0 7 2 13564.59 12841.44 311.12 o 1 7 2 9848.06 9651.15 161.64 o 2 7 2 581.39 516.37 56.38 o 3 7 2 16173.09 14849.23 216.13 o 4 7 2 16493.89 15378.66 206.99 o 5 7 2 20342.51 19193.48 263.95 o 6 7 2 23766.88 22505.57 348.29 o 7 7 2 12901.13 12488.52 308.04 o 8 7 2 4537.08 4872.30 205.41 o 9 7 2 1769.68 1486.20 153.96 o -9 8 2 7.81 73.58 169.06 o -8 8 2 1140.17 908.16 154.48 o -7 8 2 1698.78 1777.84 182.93 o -6 8 2 574.79 513.27 78.31 o -5 8 2 1778.92 1658.39 93.59 o -4 8 2 618.85 592.83 51.18 o -3 8 2 543.04 535.25 39.46 o -2 8 2 8.17 10.31 31.04 o -1 8 2 16.92 43.25 41.87 o 0 8 2 590.23 418.12 61.31 o 1 8 2 2590.62 2534.30 73.31 o 2 8 2 3251.08 2988.43 91.92 o 3 8 2 1672.31 1690.90 85.36 o 4 8 2 1220.43 1174.30 64.40 o 5 8 2 46.71 83.56 39.51 o 6 8 2 783.71 751.29 98.30 o 7 8 2 276.74 147.65 52.89 o 8 8 2 63.26 52.66 60.33 o 9 8 2 365.91 190.51 87.00 o -9 9 2 1273.29 1218.08 463.35 o -8 9 2 1300.25 1489.21 404.39 o -7 9 2 64.36 -1.66 82.97 o -6 9 2 1914.35 1708.67 177.47 o -5 9 2 3314.64 3073.49 162.66 o -4 9 2 14015.37 13149.53 236.05 o -3 9 2 23253.44 21599.05 349.85 o -2 9 2 21990.27 21175.88 359.89 o -1 9 2 16343.20 16155.63 402.96 o 0 9 2 3883.73 3415.82 147.61 o 1 9 2 1140.41 966.42 58.19 o 2 9 2 398.86 413.62 45.13 o 3 9 2 7655.84 7119.85 206.17 o 4 9 2 7123.69 6407.38 175.37 o 5 9 2 8240.28 7928.60 271.28 o 6 9 2 15306.57 14443.13 407.04 o 7 9 2 11150.34 11658.40 525.37 o 8 9 2 2929.37 2361.62 278.93 o 9 9 2 1123.85 1078.31 222.12 o -8 10 2 590.88 521.58 208.25 o -7 10 2 4242.59 4258.44 257.30 o -6 10 2 7232.81 7645.10 232.57 o -5 10 2 1063.93 1133.80 91.95 o -4 10 2 1144.63 1142.03 94.66 o -3 10 2 1740.62 1544.10 60.42 o -2 10 2 1778.16 1786.17 140.15 o -1 10 2 7052.58 6738.06 235.56 o 0 10 2 2583.96 2294.15 122.59 o 1 10 2 6419.41 5847.76 145.64 o 2 10 2 14489.34 13816.19 272.41 o 3 10 2 4732.16 4509.75 137.62 o 4 10 2 1048.40 1045.93 101.16 o 5 10 2 1557.35 1616.83 152.41 o 6 10 2 17.09 -24.43 52.93 o 7 10 2 1899.47 1787.79 147.71 o 8 10 2 1460.83 1698.41 196.18 o -7 11 2 18.14 158.19 95.13 o -6 11 2 1229.17 1018.28 114.30 o -5 11 2 1781.55 1989.27 111.76 o -4 11 2 3125.93 3072.46 109.21 o -3 11 2 6968.96 6626.39 217.01 o -2 11 2 7407.02 6998.53 208.06 o -1 11 2 3478.25 3227.99 175.04 o 0 11 2 2083.50 1949.79 81.02 o 1 11 2 1278.18 1330.93 130.14 o 2 11 2 570.68 503.99 64.05 o 3 11 2 2210.48 2342.10 129.04 o 4 11 2 1286.22 1219.07 159.71 o 5 11 2 3579.45 3620.30 255.38 o 6 11 2 4772.59 4473.86 416.98 o 7 11 2 2672.19 2535.30 152.34 o -7 12 2 5537.77 6602.05 477.29 o -6 12 2 7061.43 7699.57 317.74 o -5 12 2 2619.94 2826.27 1 2998.76 140.52 o -4 0 8 25648.98 25603.39 437.76 o -3 0 8 48937.73 49763.81 724.04 o -2 0 8 40596.89 41109.14 567.92 o -1 0 8 21297.06 21006.57 336.13 o 0 0 8 29191.00 29437.22 435.59 o 1 0 8 5403.12 5828.51 151.64 o 2 0 8 7075.78 7463.14 221.60 o 3 0 8 2183.11 2159.17 111.80 o 4 0 8 6881.04 6782.23 216.91 o 5 0 8 34293.81 36812.34 624.22 o 6 0 8 26627.27 28985.97 602.51 o 7 0 8 13367.15 14302.84 580.22 o 8 0 8 10047.45 11132.19 609.91 o 9 0 8 3720.18 4625.12 467.21 o -9 1 8 93.35 -15.59 94.86 o -8 1 8 1337.27 1356.76 151.08 o -7 1 8 501.94 452.47 87.67 o -6 1 8 214.83 191.51 48.19 o -5 1 8 2733.61 2811.39 118.35 o -4 1 8 1286.25 1316.34 93.26 o -3 1 8 221.14 187.67 31.27 o -2 1 8 40.42 63.05 24.74 o -1 1 8 1643.65 1738.96 65.55 o 0 1 8 12380.82 14274.71 188.26 o 1 1 8 2072.03 2094.08 68.95 o 2 1 8 666.17 585.42 45.57 o 3 1 8 2175.12 2426.20 84.32 o 4 1 8 513.41 340.80 41.03 o 5 1 8 120.82 170.62 42.15 o 6 1 8 13.43 -21.70 41.95 o 7 1 8 182.52 217.05 103.48 o 8 1 8 532.89 537.85 146.27 o 9 1 8 902.67 967.23 222.10 o -9 2 8 6831.02 7066.71 539.71 o -8 2 8 3855.43 4088.65 231.24 o -7 2 8 24.22 59.80 63.63 o -6 2 8 78.61 1.75 37.23 o -5 2 8 4273.35 4030.75 151.81 o -4 2 8 20801.82 21116.43 360.36 o -3 2 8 21435.70 21208.44 376.28 o -2 2 8 25076.36 23826.96 272.86 o -1 2 8 25220.06 25830.71 292.12 o 0 2 8 19948.73 21249.71 411.77 o 1 2 8 11691.57 11908.42 240.46 o 2 2 8 1540.89 1572.63 66.32 o 3 2 8 688.69 632.50 57.30 o 4 2 8 9009.24 9117.85 168.66 o 5 2 8 16948.49 17436.24 283.93 o 6 2 8 17654.01 18426.94 427.28 o 7 2 8 12219.98 12679.14 416.00 o 8 2 8 5016.10 5251.01 602.49 o 9 2 8 2436.31 2801.69 375.30 o -9 3 8 737.52 691.56 141.29 o -8 3 8 2647.71 2555.23 222.81 o -7 3 8 6331.28 6040.16 366.51 o -6 3 8 6142.33 6147.18 174.81 o -5 3 8 6043.39 5729.20 140.58 o -4 3 8 7579.36 7306.01 171.61 o -3 3 8 1210.61 1207.23 62.60 o -2 3 8 1057.53 1135.24 61.75 o -1 3 8 1681.55 1768.31 79.75 o 0 3 8 3318.47 3134.64 101.52 o 1 3 8 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319.42 o -8 1 7 12272.64 12381.87 400.52 o -7 1 7 16476.67 16212.32 390.99 o -6 1 7 13457.29 13492.81 216.56 o -5 1 7 12296.47 12020.96 201.00 o -4 1 7 5211.49 4906.32 103.46 o -3 1 7 47.45 62.82 23.19 o -2 1 7 1868.85 1853.84 63.96 o -1 1 7 11300.73 11764.03 156.67 o 0 1 7 49513.08 53449.20 563.89 o 1 1 7 59355.27 62514.45 584.81 o 2 1 7 36797.07 38694.25 397.11 o 3 1 7 27802.60 28502.17 357.54 o 4 1 7 14238.27 14168.41 263.64 o 5 1 7 490.53 401.75 49.67 o 6 1 7 1066.56 1042.32 75.58 o 7 1 7 1280.79 1329.50 132.69 o 8 1 7 4352.46 4427.90 290.43 o 9 1 7 11583.01 13429.62 514.22 o 10 1 7 8124.22 9345.24 633.80 o -10 2 7 423.81 524.24 152.97 o -9 2 7 1567.36 1489.76 189.83 o -8 2 7 259.22 246.66 90.11 o -7 2 7 385.08 414.21 81.86 o -6 2 7 1380.42 1340.23 86.73 o -5 2 7 879.01 764.50 57.96 o -4 2 7 4817.79 4684.32 120.38 o -3 2 7 12753.79 13485.70 230.72 o -2 2 7 838.69 824.97 43.49 o -1 2 7 3335.79 3395.17 83.83 o 0 2 7 23063.23 24726.13 294.50 o 1 2 7 419.92 439.20 33.79 o 2 2 7 2937.50 3194.96 79.87 o 3 2 7 652.95 562.25 41.99 o 4 2 7 2892.35 2795.05 101.25 o 5 2 7 8035.62 8145.58 163.18 o 6 2 7 3109.08 3065.89 138.20 o 7 2 7 592.65 609.81 136.84 o 8 2 7 2164.54 2156.65 285.10 o 9 2 7 1468.72 961.11 326.42 o 10 2 7 42.54 -172.99 172.99 o -10 3 7 1402.13 1352.10 212.23 o -9 3 7 6363.16 6611.97 525.29 o -8 3 7 6091.87 6864.50 272.27 o -7 3 7 7934.93 7765.43 332.15 o -6 3 7 13880.10 13451.39 376.94 o -5 3 7 8138.43 8196.92 232.98 o -4 3 7 3079.47 2890.96 96.51 o -3 3 7 520.43 541.56 41.34 o -2 3 7 3297.19 3443.76 138.72 o -1 3 7 19267.77 20161.64 389.22 o 0 3 7 31479.11 32642.01 636.23 o 1 3 7 24545.78 24958.13 508.42 o 2 3 7 21118.42 22335.32 430.02 o 3 3 7 13664.92 13894.74 192.58 o 4 3 7 3919.64 3832.83 103.06 o 5 3 7 1088.79 1065.38 66.74 o 6 3 7 122.53 120.97 48.35 o 7 3 7 3959.98 4145.45 221.39 o 8 3 7 4550.11 5424.49 356.45 o 9 3 7 4769.35 5932.01 477.91 o 10 3 7 5659.28 7191.20 552.76 o -9 4 7 3692.65 3088.66 189.89 o -8 4 7 927.72 787.70 102.55 o -7 4 7 599.36 509.58 73.23 o -6 4 7 2207.59 2270.53 91.34 o -5 4 7 3623.58 3660.69 126.74 o -4 4 7 18215.82 18637.89 552.39 o -3 4 7 28599.37 29019.66 601.50 o -2 4 7 12041.25 11716.97 215.85 o -1 4 7 18006.31 18426.11 438.16 o 0 4 7 10861.81 11288.97 292.20 o 1 4 7 564.45 617.26 46.62 o 2 4 7 2395.36 2353.83 83.79 o 3 4 7 5633.25 5667.81 154.88 o 4 4 7 11358.24 11115.84 180.23 o 5 4 7 16294.06 16038.77 260.37 o 6 4 7 11820.18 12033.24 296.88 o 7 4 7 4875.76 5220.51 266.48 o 8 4 7 4617.01 4438.41 296.27 o 9 4 7 599.97 588.86 208.29 o -9 5 7 1553.72 1332.86 236.73 o -8 5 7 718.74 660.59 224.01 o -7 5 7 1805.15 1600.07 229.15 o -6 5 7 3997.88 3887.05 217.60 o -5 5 7 1267.16 1192.42 81.19 o -4 5 7 245.75 244.45 39.89 o -3 5 7 265.95 190.11 33.59 o -2 5 7 502.75 457.48 44.18 o -1 5 7 6768.07 6351.54 185.10 o 0 5 7 8520.30 8565.74 279.21 o 1 5 7 2807.64 2738.06 89.68 o 2 5 7 8362.12 8193.99 198.21 o 3 5 7 7002.01 6457.21 157.36 o 4 5 7 400.35 363.99 44.57 o 5 5 7 269.38 311.78 49.08 o 6 5 7 3.45 22.32 50.57 o 7 5 7 551.21 412.13 105.06 o 8 5 7 590.08 506.85 120.83 o 9 5 7 990.10 699.47 204.48 o -9 6 7 1937.31 2061.02 291.32 o -8 6 7 266.73 177.37 118.13 o -7 6 7 78.30 145.13 96.12 o -6 6 7 3373.66 3103.03 168.41 o -5 6 7 9312.93 8918.47 442.77 o -4 6 7 16382.20 17131.77 462.11 o -3 6 7 30711.51 30622.17 865.30 o -2 6 7 25644.75 24912.59 825.01 o -1 6 7 13775.32 14533.21 281.90 o 0 6 7 6215.35 5566.77 162.05 o 1 6 7 259.91 258.75 34.27 o 2 6 7 1895.39 1721.58 92.57 o 3 6 7 13337.61 13208.25 228.76 o 4 6 7 16655.27 16025.87 266.74 o 5 6 7 13135.74 12833.55 237.19 o 6 6 7 16966.62 16501.18 556.58 o 7 6 7 9838.99 9647.58 338.75 o 8 6 7 1915.95 1799.77 181.69 o 9 6 7 938.59 1025.99 237.06 o -9 7 7 76.35 -57.52 132.20 o -8 7 7 105.47 105.94 119.79 o -7 7 7 0.75 165.50 109.04 o -6 7 7 330.65 313.97 76.20 o -5 7 7 7.10 -15.49 49.06 o -4 7 7 2.43 -5.90 32.77 o -3 7 7 404.40 368.96 41.28 o -2 7 7 61.62 31.13 46.98 o -1 7 7 144.61 173.21 59.78 o 0 7 7 263.10 257.60 55.43 o 1 7 7 286.21 283.39 44.86 o 2 7 7 3.42 37.17 29.36 o 3 7 7 579.60 586.47 56.14 o 4 7 7 30.16 -13.94 35.35 o 5 7 7 28.65 -0.15 44.09 o 6 7 7 794.01 723.97 84.71 o 7 7 7 10.13 4.75 70.47 o 8 7 7 123.55 79.93 92.37 o 9 7 7 35.50 -9.92 149.12 o -8 8 7 264.32 160.70 202.38 o -7 8 7 12.47 52.78 101.87 o -6 8 7 2481.17 2417.21 252.65 o -5 8 7 8755.48 8693.59 243.92 o -4 8 7 12002.85 12016.70 398.04 o -3 8 7 21636.37 21863.49 607.98 o -2 8 7 26233.45 27325.47 480.62 o -1 8 7 11662.18 11675.08 265.16 o 0 8 7 2869.31 3006.47 190.08 o 1 8 7 775.90 761.28 51.84 o 2 8 7 437.97 362.01 46.62 o 3 8 7 7892.16 7370.99 169.71 o 4 8 7 10721.19 10636.86 270.86 o 5 8 7 9339.98 9156.87 340.70 o 6 8 7 14391.00 14187.11 302.73 o 7 8 7 10641.93 10748.01 298.96 o 8 8 7 2163.22 1754.48 171.91 o -8 9 7 774.54 687.16 182.94 o -7 9 7 1311.11 1846.43 396.04 o -6 9 7 2309.50 2541.34 297.53 o -5 9 7 1245.13 1308.44 207.20 o -4 9 7 127.37 59.45 58.49 o -3 9 7 4.93 -14.82 56.01 o -2 9 7 505.25 312.05 78.16 o -1 9 7 3808.31 3823.62 152.68 o 0 9 7 2229.58 2077.95 130.79 o 1 9 7 1050.71 991.28 64.63 o 2 9 7 3512.26 3156.52 112.12 o 3 9 7 2668.27 2575.81 124.81 o 4 9 7 422.57 430.47 72.74 o 5 9 7 380.39 306.43 81.06 o 6 9 7 5.24 56.57 73.57 o 7 9 7 1262.04 1159.16 111.77 o 8 9 7 1149.68 1137.91 172.60 o -7 10 7 26.16 117.69 116.54 o -6 10 7 1554.87 1324.27 134.22 o -5 10 7 3111.75 3565.30 166.92 o -4 10 7 4712.19 4693.18 161.62 o -3 10 7 9187.67 9344.44 533.15 o -2 10 7 11432.83 12171.73 393.21 o -1 10 7 5943.42 5728.39 247.79 o 0 10 7 2483.23 2346.91 249.06 o 1 10 7 635.97 598.20 73.58 o 2 10 7 1101.02 1079.56 79.40 o 3 10 7 5006.35 4710.76 158.12 o 4 10 7 4649.18 4417.72 235.78 o 5 10 7 4946.70 4604.35 198.68 o 6 10 7 5694.51 6069.54 455.33 o 7 10 7 3932.54 4263.91 219.89 o -6 11 7 4911.70 5254.36 286.27 o -5 11 7 1530.18 1486.69 151.26 o -4 11 7 811.41 842.85 76.76 o -3 11 7 134.91 156.89 86.01 o -2 11 7 1033.32 965.07 128.24 o -1 11 7 4765.27 4724.85 238.13 o 0 11 7 7699.58 7621.27 269.41 o 1 11 7 5663.09 5528.03 145.76 o 2 11 7 6658.68 7016.50 186.18 o 3 11 7 5768.66 5601.75 164.70 o 4 11 7 612.41 619.14 77.16 o 5 11 7 81.24 92.86 58.25 o 6 11 7 6.20 25.10 71.43 o -6 12 7 276.42 96.51 119.07 o -5 12 7 568.56 538.74 105.46 o -4 12 7 1787.58 1917.46 234.25 o -3 12 7 1827.76 1926.75 237.23 o -2 12 7 1054.35 760.26 115.78 o -1 12 7 1821.12 1751.27 225.77 o 0 12 7 1619.06 1559.34 135.02 o 1 12 7 142.03 48.24 40.65 o 2 12 7 39.34 -6.89 54.09 o 3 12 7 485.78 506.11 97.97 o 4 12 7 1404.59 1158.44 180.04 o 5 12 7 1098.47 1140.29 272.60 o -4 13 7 302.51 109.77 120.46 o -3 13 7 67.76 -0.12 77.03 o -2 13 7 692.69 602.24 98.02 o -1 13 7 3114.80 2632.06 389.55 o 1 13 7 6901.47 8246.16 259.76 o 2 13 7 8251.92 9383.66 405.67 o 3 13 7 6435.45 7113.50 741.24 o 4 13 7 1605.39 1792.40 222.46 o -3 14 7 142.04 78.12 187.40 o -2 14 7 46.03 -4.92 159.07 o -1 14 7 27.93 -17.14 150.57 o 0 14 7 108.48 5.81 138.20 o 1 14 7 0.72 -15.01 65.32 o 2 14 7 52.18 -29.83 87.82 o 3 14 7 19.43 -36.02 104.75 o -10 0 8 4809.17 4793.01 557.27 o -9 0 8 8761.19 8289.43 589.85 o -8 0 8 4829.37 4575.60 346.94 o -7 0 8 56.99 43.61 92.50 o -6 0 8 253.64 184.28 72.81 o -5 0 8 2852.7IN; PS4; PU;SP1;LA1,4,2,4; PU;PW0.3; PU9587,3770;PD9583,3790,9577,3810,9570,3829,9562,3848,9553,3865,9543,3881, 9532,3896,9519,3910,9506,3922,9493,3932,9479,3941,9464,3947,9450,3952, 9435,3954,9420,3955,9406,3953,9391,3950,9378,3945,9365,3937,9352,3928, 9341,3917,9330,3905,9321,3891,9313,3875,9306,3858,9300,3841,9295,3822, 9292,3802,9291,3782,9291,3762,9292,3741,9294,3721,9298,3700,9304,3680, 9311,3661,9319,3643,9328,3625,9338,3609,9350,3594,9362,3581,9375,3569, 9388,3558,9402,3550,9417,3543,9432,3539,9446,3536,9461,3536,9476,3537, 9490,3541,9503,3546,9517,3553,9529,3562,9540,3573,9551,3586,9560,3600, 9569,3615,9576,3632,9581,3650,9586,3669,9589,3688,9591,3708,9591,3729, 9589,3749,9587,3770; PU9504,3923;PD9492,3932,9479,3939,9467,3944,9453,3947,9440,3948,9426,3947, 9413,3945,9400,3940,9387,3933,9375,3925,9364,3915,9353,3903,9343,3890, 9334,3876,9326,3860,9319,3843,9314,3825,9309,3806,9306,3787,9304,3767, 9303,3747,9304,3727,9306,3708,9310,3688,9314,3670,9320,3651,9327,3634, 9335,3618,9344,3603,9354,3590,9365,3578,9377,3567; PU9293,3731;PD9297,3719,9306,3708,9321,3698,9340,3690,9363,3685,9389,3681, 9417,3680,9446,3682,9475,3686,9502,3692,9527,3701,9549,3711,9566,3722, 9579,3735,9586,3747,9588,3760; PU9485,3539;PD9494,3545,9501,3558,9506,3578,9508,3605,9507,3637,9504,3673, 9499,3712,9492,3753,9482,3793,9471,3831,9458,3866,9445,3896,9432,3921, 9419,3938,9407,3949,9396,3951; PU5157,3202;PD5150,3183,5144,3165,5140,3146,5137,3126,5136,3108,5136,3089, 5138,3071,5142,3053,5147,3036,5154,3020,5162,3006,5171,2992,5182,2980, 5194,2970,5207,2961,5221,2953,5235,2948,5251,2944,5266,2943,5282,2943, 5299,2945,5315,2948,5331,2954,5347,2961,5363,2970,5378,2981,5392,2993, 5405,3007,5418,3021,5429,3037,5439,3054,5448,3072,5455,3090,5461,3109, 5465,3128,5468,3147,5469,3166,5469,3184,5467,3203,5463,3220,5458,3237, 5451,3253,5443,3268,5434,3281,5423,3293,5411,3304,5398,3313,5385,3320, 5370,3325,5355,3329,5339,3331,5323,3331,5306,3329,5290,3325,5274,3320, 5258,3312,5242,3303,5227,3293,5213,3280,5200,3267,5187,3252,5176,3236, 5166,3219,5157,3202; PU5405,3309;PD5392,3316,5379,3321,5365,3325,5351,3327,5336,3327,5321,3325, 5305,3321,5290,3315,5274,3308,5259,3300,5245,3289,5231,3277,5217,3264, 5205,3250,5193,3234,5183,3218,5173,3200,5165,3183,5158,3164,5153,3146, 5149,3127,5146,3108,5145,3090,5146,3072,5148,3055,5151,3039,5156,3023, 5163,3009,5170,2995,5179,2984,5189,2973,5201,2965; PU5154,3194;PD5157,3189,5165,3183,5178,3174,5197,3164,5219,3152,5244,3141, 5272,3129,5301,3117,5330,3106,5358,3097,5383,3088,5406,3082,5425,3078, 5439,3076,5447,3076,5451,3079; PU5232,2949;PD5245,2948,5261,2955,5278,2968,5296,2988,5315,3014,5333,3044, 5350,3079,5365,3115,5377,3152,5387,3188,5394,3223,5397,3254,5396,3280, 5392,3302,5384,3316,5373,3324; PU2380,3179;PD2370,3194,2360,3208,2348,3221,2335,3232,2322,3243,2307,3252, 2292,3259,2277,3265,2262,3270,2246,3273,2230,3274,2214,3274,2199,3272, 2184,3268,2169,3263,2156,3255,2143,3247,2131,3238,2121,3226,2111,3214, 2103,3201,2096,3186,2091,3171,2087,3155,2084,3139,2083,3122,2084,3105, 2086,3088,2090,3072,2096,3055,2102,3039,2110,3023,2120,3009,2130,2995, 2142,2982,2155,2970,2168,2960,2183,2951,2198,2943,2213,2937,2229,2933, 2244,2930,2260,2928,2276,2929,2291,2931,2306,2935,2321,2940,2334,2947, 2347,2955,2359,2965,2369,2976,2379,2988,2387,3002,2394,3016,2399,3031, 2403,3047,2406,3063,2406,3080,2406,3097,2404,3114,2400,3131,2394,3147, 2388,3164,2380,3179; PU2388,3164;PD2371,3192,2350,3217,2325,3237,2297,3251,2266,3260,2235,3263, 2204,3260,2175,3251,2149,3236,2126,3215,2108,3191,2095,3163,2088,3132, 2087,3100,2092,3069,2103,3038; PU2156,3256;PD2157,3253,2162,3244,2169,3230,2180,3210,2193,3187,2207,3160, 2224,3131,2241,3101,2259,3071,2275,3042,2291,3015,2305,2992,2317,2972, 2326,2958,2331,2949,2334,2946; PU2110,3024;PD2118,3014,2132,3007,2150,3004,2171,3005,2195,3009,2222,3017, 2249,3028,2275,3042,2301,3058,2325,3076,2345,3095,2362,3114,2374,3132, 2381,3150,2383,3165,2380,3178; PU2687,5017;PD2673,4986,2663,4954,2659,4921,2661,4890,2668,4861,2681,4835, 2698,4814,2720,4798,2745,4788,2772,4784,2800,4786,2829,4795,2857,4809, 2883,4829,2905,4854,2925,4882,2939,4913,2948,4945,2952,4977,2950,5008, 2943,5038,2930,5063,2913,5085,2892,5100,2867,5111,2840,5115,2811,5113, 2783,5104,2755,5089,2729,5070,2706,5045,2687,5017; PU2728,5068;PD2751,5087,2777,5100,2804,5107,2831,5108,2857,5104,2881,5093, 2903,5077,2920,5055,2933,5030,2941,5002,2944,4971,2942,4940,2934,4909, 2922,4880,2905,4853,2884,4830; PU2929,4890;PD2922,4880,2910,4873,2894,4868,2875,4867,2853,4869,2830,4874, 2806,4882,2781,4892,2758,4905,2736,4919,2717,4935,2701,4951,2690,4967, 2683,4982,2680,4996,2683,5009; PU2717,4800;PD2716,4805,2718,4816,2724,4832,2732,4853,2744,4878,2758,4905, 2773,4934,2790,4963,2808,4992,2825,5019,2842,5044,2857,5065,2870,5081, 2881,5093,2889,5099,2894,5099; PU7914,4932;PD7891,4955,7864,4973,7836,4986,7806,4994,7777,4996,7749,4992, 7722,4981,7699,4966,7681,4946,7667,4921,7658,4894,7655,4864,7658,4834, 7667,4804,7681,4775,7699,4749,7722,4727,7749,4708,7777,4695,7807,4688, 7836,4686,7865,4690,7891,4700,7914,4715,7933,4736,7947,4760,7955,4787, 7958,4817,7955,4847,7947,4877,7933,4906,7914,4932; PU7706,4971;PD7726,4981,7748,4986,7773,4985,7800,4979,7826,4967,7852,4950, 7876,4930,7898,4905,7915,4879,7929,4851,7938,4822,7942,4794,7941,4768, 7934,4745,7923,4725,7907,4710; PU7915,4717;PD7900,4709,7881,4706,7860,4708,7836,4715,7811,4728,7786,4744, 7761,4764,7739,4787,7719,4812,7702,4838,7690,4865,7682,4890,7678,4914, 7680,4934,7687,4951,7697,4964; PU7702,4747;PD7703,4750,7709,4757,7719,4767,7732,4780,7747,4795,7765,4812, 7785,4830,7806,4848,7826,4866,7846,4883,7864,4899,7880,4912,7893,4923, 7903,4930,7910,4934,7912,4934; PU8565,3997;PD9292,3804; PU9292,3799;PD8559,3995; PU8556,3992;PD9291,3794; PU9291,3789;PD8555,3988; PU8554,3985;PD9291,3784; PU9291,3778;PD8554,3981; PU8554,3977;PD9290,3773; PU9290,3768;PD8558,3972,8554,3977,8554,3981,8554,3985,8555,3988,8556,3992, 8559,3995,8565,3997; PU8320,4142;PD7893,4701; PU7898,4704;PD8324,4144; PU8328,4147;PD7902,4707; PU7906,4710;PD8332,4150; PU8335,4154;PD7910,4713; PU7915,4716;PD8338,4158; PU8341,4162;PD7918,4720; PU8341,4162;PD8338,4158,8335,4154,8332,4150,8328,4147,8324,4144,8320,4142; PU8553,4089;PD8535,4116,8513,4140,8488,4159,8460,4173,8431,4181,8402,4182, 8375,4178,8349,4167,8340,4161; PU8318,4142;PD8308,4130,8294,4105,8285,4076,8283,4045,8285,4014,8293,3982, 8307,3952,8325,3925,8347,3901,8373,3882,8401,3869,8429,3861,8458,3859, 8486,3863,8511,3874,8534,3890,8553,3911,8566,3936,8573,3958; PU8578,4000;PD8575,4028,8567,4059,8553,4089; PU8528,3885;PD8545,3902,8557,3924,8564,3950,8566,3965; PU8565,3997;PD8563,4008,8555,4038,8542,4068,8525,4096,8504,4121,8480,4142, 8454,4159,8428,4170,8401,4175,8376,4175,8352,4168,8340,4161; PU8407,4182;PD8394,4179,8383,4171,8374,4156,8367,4136,8362,4111,8360,4083, 8360,4053,8364,4021,8370,3990,8378,3959,8388,3931,8400,3907,8413,3886, 8427,3871,8440,3862,8454,3859; PU8289,3997;PD8294,3989,8304,3983,8319,3979,8338,3976,8361,3974,8386,3975, 8413,3977,8441,3981,8469,3987,8494,3993,8518,4001,8538,4010,8554,4019, 8565,4028,8571,4036,8571,4045; PU6205,6054;PD6188,6048,6172,6041,6157,6032,6143,6022,6130,6011,6118,6000, 6107,5987,6098,5974,6090,5960,6083,5946,6078,5931,6075,5916,6074,5901, 6074,5886,6076,5872,6080,5857,6085,5844,6092,5831,6100,5819,6110,5807, 6121,5797,6133,5788,6147,5780,6162,5773,6177,5768,6193,5764,6210,5761, 6227,5760,6244,5760,6262,5762,6279,5765,6296,5770,6312,5776,6328,5783, 6343,5792,6357,5802,6371,5813,6383,5824,6393,5837,6403,5850,6411,5864, 6417,5878,6422,5893,6425,5908,6427,5923,6426,5938,6425,5952,6421,5967, 6416,5980,6409,5993,6400,6005,6391,6017,6379,6027,6367,6036,6353,6044, 6339,6051,6324,6056,6307,6060,6291,6063,6274,6064,6256,6064,6239,6062, 6222,6058,6205,6054; PU6158,6032;PD6177,6042,6200,6047,6225,6046,6251,6041,6277,6030,6301,6015, 6324,5996,6344,5974,6360,5949,6372,5923,6379,5897,6382,5871,6379,5846, 6371,5825,6359,5806,6343,5792; PU6425,5950;PD6423,5938,6415,5924,6400,5911,6379,5897,6354,5883,6324,5871, 6292,5860,6258,5852,6224,5845,6191,5842,6160,5840,6133,5842,6110,5847, 6092,5853,6081,5862,6076,5873; PU6206,5762;PD6185,5768,6166,5779,6151,5796,6140,5817,6133,5842,6130,5870, 6132,5899,6138,5929,6149,5958,6164,5985,6182,6009,6202,6030,6225,6046, 6249,6057,6272,6063,6295,6062; PU2349,3939;PD2280,3265; PU2275,3266;PD2346,3942; PU2343,3942;PD2271,3268; PU2266,3269;PD2340,3940; PU2336,3938;PD2261,3270; PU2257,3271;PD2333,3936; PU2330,3933;PD2252,3272; PU2247,3273;PD2326,3927,2330,3933,2333,3936,2336,3938,2340,3940,2343,3942, 2346,3942,2349,3939; PU2410,4201;PD2713,4803; PU2717,4800;PD2411,4194; PU2414,4190;PD2722,4797; PU2727,4795;PD2418,4187; PU2421,4185;PD2732,4792; PU2737,4790;PD2426,4184; PU2431,4185;PD2742,4789; PU2431,4185;PD2426,4184,2421,4185,2418,4187,2414,4190,2411,4194,2410,4201; PU2257,4111;PD2241,4080,2230,4047,2223,4016,2221,3985,2225,3958,2232,3934, 2245,3915,2262,3902,2282,3894,2304,3893,2309,3894; PU2365,3916;PD2380,3926,2404,3947,2426,3973,2445,4003,2461,4034,2472,4066, 2479,4098,2481,4128,2478,4155,2469,4179,2457,4198; PU2409,4220;PD2397,4221,2373,4216,2348,4204,2322,4188,2298,4166,2276,4140, 2257,4111; PU2245,3916;PD2259,3904,2277,3898,2298,3898,2313,3902; PU2358,3926;PD2369,3934,2392,3956,2414,3982,2434,4011,2450,4041,2463,4073, 2471,4103,2475,4132,2473,4158,2468,4180,2458,4197; PU2442,3998;PD2441,4001,2437,4007,2430,4015,2419,4024,2406,4035,2391,4046, 2374,4058,2356,4070,2338,4081,2321,4092,2304,4100,2290,4108,2278,4113, 2269,4116,2262,4117,2260,4116; PU2409,4207;PD2398,4200,2380,4184,2361,4163,2341,4139,2322,4111,2304,4081, 2287,4050,2274,4020,2263,3990,2255,3964,2252,3941,2252,3922,2256,3909, 2263,3901; PU7054,5024;PD7657,4892; PU7657,4886;PD7049,5021; PU7048,5017;PD7656,4881; PU7655,4875;PD7047,5013; PU7048,5008;PD7655,4869; PU7655,4864;PD7049,5004; PU7054,4998;PD7655,4858; PU7054,4998;PD7049,5004,7048,5008,7047,5013,7048,5017,7049,5021,7054,5024; PU6839,5142;PD6331,5785; PU6335,5787;PD6843,5144; PU6846,5147;PD6340,5790; PU6344,5793;PD6850,5151; PU6852,5155;PD6349,5795; PU6353,5798;PD6855,5159; PU6857,5164;PD6357,5801; PU6857,5164;PD6855,5159,6852,5155,6850,5151,6846,5147,6843,5144,6839,5142; PU7057,5075;PD7045,5104,7029,5131,7010,5155,6988,5173,6964,5187,6939,5195, 6914,5197,6890,5192,6868,5182,6859,5175; PU6829,5138;PD6821,5121,6814,5093,6811,5063,6814,5031,6821,5000,6833,4971, 6849,4944,6868,4920,6890,4902,6914,4888,6939,4880,6964,4878,6988,4882, 7010,4893,7029,4909,7045,4929,7057,4954,7064,4982,7065,4989; PU7065,5029;PD7064,5044,7057,5075; PU7054,5081;PD7050,5086,7041,5088,7029,5088,7013,5087,6994,5084,6973,5078, 6950,5072,6927,5064,6905,5055,6884,5045,6865,5035,6849,5025,6836,5016, 6828,5007,6823,4999,6823,4993; PU6860,5177;PD6859,5176; PU6836,5141;PD6831,5120,6829,5093,6831,5065,6838,5035,6848,5006,6862,4977, 6879,4951,6898,4928,6918,4910,6940,4896,6962,4888,6982,4885,7001,4889, 7017,4898; PU6978,4880;PD6992,4887,7003,4899,7012,4916,7019,4939,7022,4965,7022,4993, 7019,5024,7012,5055,7003,5085,6992,5114,6978,5140,6963,5161,6947,5178, 6931,5190,6915,5195,6900,5195; PU1475,4308;PD2251,4100; PU2249,4095;PD1472,4304; PU1471,4300;PD2246,4090; PU2244,4086;PD1470,4296; PU1469,4291;PD2242,4081; PU2240,4076;PD1468,4286; PU1469,4281;PD2238,4071; PU1469,4281;PD1468,4286,1469,4291,1470,4296,1471,4300,1472,4304,1475,4308; PU1187,4363;PD1184,4343,1181,4322,1180,4301,1181,4281,1183,4261,1187,4242, 1192,4224,1198,4207,1206,4191,1215,4176,1225,4163,1236,4152,1248,4142, 1261,4134,1274,4128,1288,4124,1303,4122,1318,4122,1332,4124,1347,4128, 1362,4134,1377,4142,1391,4152,1404,4163,1417,4176,1429,4191,1440,4207, 1450,4224,1459,4242,1467,4261,1471,4274; PU1480,4315;PD1482,4322,1484,4343,1485,4363,1484,4384,1482,4404,1478,4423, 1473,4441,1467,4458,1459,4474,1450,4489,1440,4502,1429,4514,1418,4524, 1405,4531,1391,4537,1377,4542,1363,4544,1348,4544,1333,4542,1318,4537, 1303,4531,1289,4523,1275,4514,1261,4502,1248,4489,1236,4474,1225,4458, 1215,4441,1206,4423,1199,4404,1192,4384,1187,4363; PU1188,4367;PD1192,4371,1202,4375,1216,4376,1235,4376,1258,4374,1284,4370, 1311,4365,1340,4359,1368,4352,1395,4344,1419,4335,1440,4327,1457,4319, 1469,4311,1473,4307; PU1417,4524;PD1428,4515,1438,4504,1447,4492,1455,4479,1462,4463,1468,4447, 1472,4429,1475,4411,1477,4392,1477,4372,1476,4352,1473,4331,1469,4311, 1466,4299; PU1465,4295;PD1464,4291,1458,4271,1450,4252,1441,4234,1431,4216,1420,4200, 1409,4185,1396,4171,1383,4159,1370,4149,1356,4140,1342,4133,1328,4129, 1314,4126,1300,4125,1286,4126,1273,4129,1261,4134,1249,4141; PU1291,4123;PD1282,4131,1274,4146,1269,4168,1266,4197,1266,4231,1268,4268, 1273,4309,1280,4350,1289,4390,1299,4429,1311,4463,1324,4493,1338,4516, 1351,4533,1363,4541,1374,4542; PU8189,3558;PD8352,3898; PU8355,3895;PD8190,3552; PU8193,3550;PD8359,3892; PU8363,3889;PD8196,3549; PU8199,3549;PD8367,3886; PU8370,3884;PD8203,3549; PU8208,3551;PD8375,3881; PU8378,3879;PD8214,3556,8208,3551,8203,3549,8199,3549,8196,3549,8193,3550, 8190,3552,8189,3558; PU8118,3600;PD8086,3589,8057,3573,8032,3553,8011,3529,7996,3502,7987,3474, 7984,3445,7988,3417,7999,3391,8015,3367,8037,3347,8063,3332,8092,3321, 8124,3316,8158,3316,8191,3322,8223,3333,8251,3349,8277,3369,8298,3393, 8313,3420,8322,3448,8324,3476,8320,3504,8310,3531,8293,3554,8272,3575, 8247,3589; PU8190,3605;PD8184,3606,8151,3606,8118,3600; PU8316,3429;PD8319,3447,8315,3465,8305,3483,8290,3500,8269,3516,8244,3529, 8215,3540,8201,3544; PU8189,3547;PD8184,3548,8152,3553,8120,3554,8089,3551,8061,3545,8036,3536, 8016,3524,8001,3509,7992,3493; PU8128,3603;PD8111,3596,8097,3585,8084,3569,8074,3549,8068,3525,8064,3499, 8064,3471,8068,3444,8075,3416,8085,3391,8097,3368,8112,3349,8129,3334, 8146,3323,8164,3319,8181,3319; PU8016,3366;PD8030,3355,8049,3347,8072,3345,8098,3346,8126,3352,8156,3362, 8185,3376,8213,3393,8239,3413,8261,3435,8280,3458,8293,3480,8302,3502, 8304,3523,8301,3541,8292,3556; PU4528,3326;PD5153,3191; PU5151,3187;PD4521,3325; PU4519,3323;PD5150,3182; PU5148,3177;PD4517,3321; PU4515,3319;PD5147,3173; PU5145,3168;PD4515,3316; PU4514,3313;PD5144,3163; PU5143,3159;PD4515,3311; PU4519,3307;PD5142,3154; PU4519,3307;PD4515,3311,4514,3313,4515,3316,4515,3319,4517,3321,4519,3323, 4521,3325,4528,3326; PU4472,3459;PD4444,3461,4417,3457,4391,3449,4367,3437,4347,3420,4331,3400, 4320,3378,4313,3353,4312,3328,4317,3304,4327,3280,4341,3258,4360,3239, 4383,3224,4408,3213,4435,3207,4463,3205,4491,3208,4517,3216,4540,3229, 4561,3246,4576,3265; PU4596,3335;PD4596,3337,4591,3362,4581,3386,4566,3407,4548,3426,4525,3442, 4499,3453,4472,3459; PU4596,3335;PD4592,3353,4582,3370,4568,3386,4549,3400,4527,3412,4502,3420, 4475,3425,4447,3427,4420,3424,4393,3419,4370,3410,4349,3398,4332,3384, 4320,3367,4314,3350,4312,3331; PU4325,3391;PD4321,3376,4321,3359,4327,3340,4337,3322,4352,3304,4371,3288, 4392,3272,4417,3260,4443,3250,4469,3243,4494,3240,4519,3240,4540,3244, 4558,3251,4573,3261,4576,3266; PU4418,3210;PD4425,3210,4433,3215,4442,3224,4451,3238,4460,3255,4469,3275, 4478,3297,4486,3321,4492,3345,4497,3369,4500,3391,4502,3411,4502,3428, 4499,3442,4495,3451,4490,3455; PU2982,3814;PD2446,4004; PU2448,4008;PD2989,3815; PU2992,3817;PD2451,4013; PU2453,4017;PD2995,3819; PU2997,3822;PD2455,4021; PU2457,4026;PD2998,3826; PU2998,3829;PD2459,4030; PU2461,4035;PD2994,3834,2998,3829,2998,3826,2997,3822,2995,3819,2992,3817, 2989,3815,2982,3814; PU3220,3758;PD4326,3392; PU4323,3387;PD3215,3755; PU3213,3751;PD4321,3382; PU4320,3378;PD3211,3747; PU3209,3743;PD4318,3373; PU4316,3368;PD3208,3739; PU3208,3734;PD4315,3363; PU3208,3734;PD3208,3739,3209,3743,3211,3747,3213,3751,3215,3755,3220,3758; PU3057,3926;PD3027,3920,2998,3910,2972,3895,2951,3879; PU2914,3812;PD2912,3806,2911,3780,2917,3754,2928,3730,2945,3709,2966,3691, 2992,3677,3020,3667,3050,3663,3081,3663,3112,3668,3141,3678,3167,3693, 3190,3711,3207,3733,3208,3733; PU3220,3759;PD3227,3783,3227,3809,3222,3834,3211,3858,3194,3879,3173,3897, 3147,3911,3119,3921,3088,3926,3057,3926; PU2911,3786;PD2914,3793,2923,3800,2937,3807,2957,3813,2958,3813; PU3005,3822;PD3009,3823,3039,3826,3069,3829,3100,3829,3130,3829,3157,3827, 3181,Mac OS X  2@ATTR;xThis resource fork intentionally left blank 89(940"43=.081 N38=(140$<30,480 N38<(540$<34(880 N48<.940$334*480 N495,540$333*080 N592 140';3?*880 N590*540';37.880 .92 060$263-140,L 092 367&263-647,L 195 466$262-34=*L 195 966&262-04<(L 195/460,262-646*L S 361.?60 532.280 M 367.260 535.5<0 L R016(261 122,980 L31=.661 026"780 M>1>(061 >2?,380 M>14,661!52;(980 M?12(261!42=*380 M?12,061!62<(780 -75';6;&306-144(L 375'568"29?.545,L 276'?66$29?.<4;,L 276'46:&29>.944*L 277'161&29>.447,L 277';64&29>-440*L 278'76?&29>-446,L 282'=61&29>-741.L 283'560$29>-642.L 283+26; 29>-041,L 284+165.29>-?47 L 284+>6;$29?-44:*L 285+460$29?->4?,L 2U3/680(4??+86INK2/585"4?3+?6JNJ2/:8;&5?>+46MNJ3/;87"5?2+26INJ5/;81(6<7+06ENK?/:87(7<3+56NNK3/583 7<6+36JNL?/18;"7<:*06MNL2/<8: 0<1*46D4/ M*U 475.>13 6>0.821%J 076.5;3 8>0.9QM0/?8;"286!6<=(66L6/ M670 327%316&261 -60+?80"370,>02,L 359$:8:&370,504.L 259$080&373,=0?,L 259$787.373,507.L 258$>89&372,609,L 258$?80"372,101.L 258$88? 375,302.L 258$88:"375->05(L 259$080"374-:01*L 259$48:"374-305,L 259$?80 377-708*L 260$385&377-301.L 2Q0.>84!5=5/06HNO4.;82%5=4/26MNI5.?82#5=4/36JNI?Q1.;9<%7>4)NI 4?J5.;9=%5>6)NL4?M3.;96-1>2)LG;?H5.492/4>4(EH;?L1.594%2>2(DK;?N3.79>)7>7(KI ;?@:.093)3>2(KN;?@:.298)0>6(JH;?N3.392-4>2(JK ;?L1!;94%1>6(JH;?H5!491)8>:(KN 4?M3!694+2>6(KI4?K5!796+6>2(DH5?N1!097/9>:(E.(61'L 492.?09 <91.101'C V373%404(208.2?0 J374%96?(209.0?1 K374%783(210.031 C374%88=(211.308 F373%14;(212.508 B373%86=(213.648 C372%703(214.828 @371%74=(216.028 D370%945(217.327 C37>%24=(218.307 K387%603(219.106 K386%983(219.73? 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297.460 M 424.140 297.260 L 423.540 296.860 L 423.140 296.460 L 422.740 295.860 L 422.540 295.260 L 422.440 294.860 L 422.440 294.260 L 422.540 293.860 L 422.740 293.260 L 423.140 292.660 L 423.540 292.260 L 424.140 291.860 L 424.740 291.660 L 425.140 291.560 L 429.740 291.560 L 430.140 291.660 L 430.740 291.860 L 431.340 292.260 L 431.740 292.660 L 432.140 293.260 L 432.340 293.860 L 432.440 294.260 L 432.440 294.860 L 432.340 295.260 L 432.140 295.860 L 431.740 296.460 L 431.340 296.860 L 430.740 297.260 L 430.140 297.460 L S 430.740 300.460 M 431.340 300.860 L 431.740 301.260 L 432.140 301.860 L 432.340 302.460 L 432.440 302.860 L 432.440 303.460 L 432.340 303.860 L 432.140 304.460 L 431.740 305.060 L 431.340 305.460 L 430.740 305.860 L 430.140 306.060 L 429.740 306.060 L 429.340 306.060 L 428.740 305.860 L 428.140 305.460 L 427.740 305.060 L 427.340 304.460 L 427.140 303.860 L 427.040 303.460 L 427.040 302.860 L 427.040 303.460 L 426.940 303.960 L 426.740 304.460 L 426.440 304.860 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422.540 310.960 L 422.740 310.460 L 423.040 310.060 L 423.340 309.760 L 423.740 309.460 L S 334.620 289.460 M 334.020 289.260 L 333.420 288.860 L 333.020 288.460 L 332.620 287.860 L 332.420 287.260 L 332.320 286.860 L 332.320 286.260 L 332.420 285.860 L 332.620 285.260 L 333.020 284.660 L 333.420 284.260 L 334.020 283.860 L 334.620 283.660 L 335.020 283.560 L 339.620 283.560 L 340.020 283.660 L 340.620 283.860 L 341.220 284.260 L 341.620 284.660 L 342.020 285.260 L 342.220 285.860 L 342.320 286.260 L 342.320 286.860 L 342.220 287.260 L 342.020 287.860 L 341.620 288.460 L 341.220 288.860 L 340.620 289.260 L 340.020 289.460 L S 340.620 292.460 M 341.220 292.860 L 341.620 293.260 L 342.020 293.860 L 342.220 294.460 L 342.320 294.860 L 342.320 295.460 L 342.220 295.860 L 342.020 296.460 L 341.620 297.060 L 341.220 297.460 L 340.620 297.860 L 340.020 298.060 L 339.620 298.060 L 339.220 298.060 L 338.620 297.860 L 338.020 297.460 L 337.620 297.060 L 337.220 296.460 L 337.020 295.860 L 336.920 295.460 L 336.920 294.860 L 336.920 295.460 L 336.820 295.960 L 336.620 296.460 L 336.320 296.860 L 336.020 297.160 L 335.620 297.460 L 335.120 297.660 L 334.620 297.660 L 334.120 297.660 L 333.620 297.460 L 333.220 297.160 L 332.920 296.860 L 332.620 296.460 L 332.420 295.960 L 332.320 295.460 L 332.320 294.860 L 332.420 294.360 L 332.620 293.860 L 332.920 293.460 L 333.220 293.160 L 333.620 292.860 L S 342.320 305.260 M 332.320 305.260 L 339.320 300.760 L 339.320 306.760 L S 419.400 432.980 M 418.800 432.780 L 418.200 432.380 L 417.800 431.980 L 417.400 431.380 L 417.200 430.780 L 417.100 430.380 L 417.100 429.780 L 417.200 429.380 L 417.400 428.780 L 417.800 428.180 L 418.200 427.780 L 418.800 427.380 L 419.400 427.180 L 419.800 427.080 L 424.400 427.080 L 424.800 427.180 L 425.400 427.380 L 426.000 427.780 L 426.400 428.180 L 426.800 428.780 L 427.000 429.380 L 427.100 429.780 L 427.100 430.380 L 427.000 430.780 L 426.800 431.380 L 426.400 431.980 L 426.000 432.380 L 425.400 432.780 L 424.800 432.980 L S 425.400 435.980 M 426.000 436.380 L 426.400 436.780 L 426.800 437.380 L 427.000 437.980 L 427.100 438.380 L 427.100 438.980 L 427.000 439.380 L 426.800 439.980 L 426.400 440.580 L 426.000 440.980 L 425.400 441.380 L 424.800 441.580 L 424.400 441.580 L 424.000 441.580 L 423.400 441.380 L 422.800 440.980 L 422.400 440.580 L 422.000 439.980 L 421.800 439.380 L 421.700 438.980 L 421.700 438.380 L 421.700 438.980 L 421.600 439.480 L 421.400 439.980 L 421.100 440.380 L 420.800 440.680 L 420.400 440.980 L 419.900 441.180 L 419.400 441.180 L 418.900 441.180 L 418.400 440.980 L 418.000 440.680 L 417.700 440.380 L 417.400 439.980 L 417.200 439.480 L 417.100 438.980 L 417.100 438.380 L 417.200 437.880 L 417.400 437.380 L 417.700 436.980 L 418.000 436.680 L 418.400 436.380 L S 425.400 444.580 M 426.000 444.980 L 426.400 445.380 L 426.800 445.980 L 427.000 446.580 L 427.100 446.980 L 427.100 447.580 L 427.000 447.980 L 426.800 448.580 L 426.400 449.180 L 426.000 449.580 L 425.400 449.980 L 424.800 450.180 L 424.400 450.280 L 423.800 450.280 L 423.400 450.180 L 422.800 449.980 L 422.200 449.580 L 421.800 449.180 L 421.400 448.580 L 421.200 447.980 L 421.100 447.580 L 421.100 446.980 L 421.200 446.280 L 421.300 445.280 L 421.500 444.780 L 417.100 444.780 L 417.100 449.980 L S 364.660 473.700 M 364.060 473.500 L 363.460 473.100 L 363.060 472.700 L 362.660 472.100 L 362.460 471.500 L 362.360 471.100 L 362.360 470.500 L 362.460 470.100 L 362.660 469.500 L 363.060 468.900 L 363.460 468.500 L 364.060 468.100 L 364.660 467.900 L 365.060 467.800 L 369.660 467.800 L 370.060 467.900 L 370.660 468.100 L 371.260 468.500 L 371.660 468.900 L 372.060 469.500 L 372.260 470.100 L 372.360 470.500 L 372.360 471.100 L 372.260 471.500 L 372.060 472.100 L 371.660 472.700 L 371.260 473.100 L 370.660 473.500 L 370.060 473.700 L S 370.660 476.700 M 371.260 477.100 L 371.660 477.500 L 372.060 478.100 L 372.260 478.700 L 372.360 479.100 L 372.360 479.700 L 372.260 480.100 L 372.060 480.700 L 371.660 481.300 L 371.260 481.700 L 370.660 482.100 L 370.060 482.300 L 369.660 482.300 L 369.260 482.300 L 368.660 482.100 L 368.060 481.700 L 367.660 481.300 L 367.260 480.700 L 367.060 480.100 L 366.960 479.700 L 366.960 479.100 L 366.960 479.700 L 366.860 480.200 L 366.660 480.700 L 366.360 481.100 L 366.060 481.400 L 365.660 481.700 L 365.160 481.900 L 364.660 481.900 L 364.160 481.900 L 363.660 481.700 L 363.260 481.400 L 362.960 481.100 L 362.660 480.700 L 362.460 480.200 L 362.360 479.700 L 362.360 479.100 L 362.460 478.600 L 362.660 478.100 L 362.960 477.700 L 363.260 477.400 L 363.660 477.100 L S 364.060 490.700 M 363.460 490.300 L 363.060 489.900 L 362.660 489.300 L 362.460 488.700 L 362.360 488.300 L 362.360 487.700 L 362.460 487.300 L 362.660 486.700 L 363.060 486.100 L 363.460 485.700 L 364.060 485.300 L 364.660 485.100 L 365.060 485.000 L 369.660 485.000 L 370.060 485.100 L 370.660 485.300 L 371.260 485.700 L 371.660 486.100 L 372.060 486.700 L 372.260 487.300 L 372.360 487.700 L 372.360 488.300 L 372.260 488.700 L 372.060 489.300 L 371.660 489.900 L 371.260 490.300 L 370.660 490.700 L 370.060 490.900 L 369.660 491.000 L 369.060 491.000 L 368.660 490.900 L 368.060 490.700 L 367.460 490.300 L 367.060 489.900 L 366.660 489.300 L 366.460 488.700 L 366.360 488.300 L 366.360 487.700 L 366.460 487.300 L 366.660 486.700 L 367.060 486.100 L 367.460 485.700 L 368.060 485.300 L 368.660 485.100 L 369.060 485.000 L S 349.960 521.780 M 349.360 521.580 L 348.760 521.180 L 348.360 520.780 L 347.960 520.180 L 347.760 519.580 L 347.660 519.180 L 347.660 518.580 L 347.760 518.180 L 347.960 517.580 L 348.360 516.980 L 348.760 516.580 L 349.360 516.180 L 349.960 515.980 L 350.360 515.880 L 354.960 515.880 L 355.360 515.980 L 355.960 516.180 L 356.560 516.580 L 356.960 516.980 L 357.360 517.580 L 357.560 518.180 L 357.660 518.580 L 357.660 519.180 L 357.560 519.580 L 357.360 520.180 L 356.960 520.780 L 356.560 521.180 L 355.960 521.580 L 355.360 521.780 L S 355.960 524.780 M 356.560 525.180 L 356.960 525.580 L 357.360 526.180 L 357.560 526.780 L 357.660 527.180 L 357.660 527.780 L 357.560 528.180 L 357.360 528.780 L 356.960 529.380 L 356.560 529.780 L 355.960 530.180 L 355.360 530.380 L 354.960 530.380 L 354.560 530.380 L 353.960 530.180 L 353.360 529.780 L 352.960 529.380 L 352.560 528.780 L 352.360 528.180 L 352.260 527.780 L 352.260 527.180 L 352.260 527.780 L 352.160 528.280 L 351.960 528.780 L 351.660 529.180 L 351.360 529.480 L 350.960 529.780 L 350.460 529.980 L 349.960 529.980 L 349.460 529.980 L 348.960 529.780 L 348.560 529.480 L 348.260 529.180 L 347.960 528.780 L 347.760 528.280 L 347.660 527.780 L 347.660 527.180 L 347.760 526.680 L 347.960 526.180 L 348.260 525.780 L 348.560 525.480 L 348.960 525.180 L S 347.660 533.080 M 347.660 539.080 L 357.660 535.080 L S 346.640 572.520 M 346.040 572.320 L 345.440 571.920 L 345.040 571.520 L 344.640 570.920 L 344.440 570.320 L 344.340 569.920 L 344.340 569.320 L 344.440 568.920 L 344.640 568.320 L 345.040 567.720 L 345.440 567.320 L 346.040 566.920 L 346.640 566.720 L 347.040 566.620 L 351.640 566.620 L 352.040 566.720 L 352.640 566.920 L 353.240 567.320 L 353.640 567.720 L 354.040 568.320 L 354.240 568.920 L 354.340 569.320 L 354.340 569.920 L 354.240 570.320 L 354.040 570.920 L 353.640 571.520 L 353.240 571.920 L 352.640 572.320 L 352.040 572.520 L S 352.640 575.520 M 353.240 575.920 L 353.640 576.320 L 354.040 576.920 L 354.240 577.520 L 354.340 577.920 L 354.340 578.520 L 354.240 578.920 L 354.040 579.520 L 353.640 580.120 L 353.240 580.520 L 352.640 580.920 L 352.040 581.120 L 351.640 581.120 L 351.240 581.120 L 350.640 580.920 L 350.040 580.520 L 349.640 580.120 L 349.240 579.520 L 349.040 578.920 L 348.940 578.520 L 348.940 577.920 L 348.940 578.520 L 348.840 579.020 L 348.640 579.520 L 348.340 579.920 L 348.040 580.220 L 347.640 580.520 L 347.140 580.720 L 346.640 580.720 L 346.140 580.720 L 345.640 580.520 L 345.240 580.220 L 344.940 579.920 L 344.640 579.520 L 344.440 579.020 L 344.340 578.520 L 344.340 577.920 L 344.440 577.420 L 344.640 576.920 L 344.940 576.520 L 345.240 576.220 L 345.640 575.920 L S 354.340 586.520 M 354.340 587.120 L 354.240 587.520 L 354.040 588.120 L 353.640 588.720 L 353.240 589.120 L 352.640 589.520 L 352.040 589.720 L 351.640 589.720 L 351.240 589.720 L 350.640 589.520 L 350.040 589.120 L 349.640 588.720 L 349.240 588.120 L 349.040 587.520 L 348.940 587.120 L 348.940 586.520 L 348.840 586.020 L 348.640 585.520 L 348.340 585.120 L 348.040 584.820 L 347.640 584.520 L 347.140 584.320 L 346.640 584.320 L 346.140 584.320 L 345.640 584.520 L 345.240 584.820 L 344.940 585.120 L 344.640 585.520 L 344.440 586.020 L 344.340 586.520 L 344.340 587.120 L 344.440 587.620 L 344.640 588.120 L 344.940 588.520 L 345.240 588.820 L 345.640 589.120 L 346.140 589.320 L 346.640 589.320 L 347.140 589.320 L 347.640 589.120 L 348.040 588.820 L 348.340 588.520 L 348.640 588.120 L 348.840 587.620 L 348.940 587.120 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363.700 M 413.080 363.580 L S 413.240 363.360 M 420.720 363.420 L S 420.660 363.120 M 413.740 363.120 L 413.240 363.360 L 413.080 363.580 L 413.020 363.820 L 413.060 364.060 L 413.460 364.300 L S 405.680 366.760 M 405.160 365.580 L 404.860 364.320 L 404.800 363.060 L 404.980 361.800 L 405.400 360.620 L 406.040 359.540 L 406.880 358.640 L 407.900 357.920 L 409.020 357.440 L 410.220 357.180 L 411.480 357.180 L 412.700 357.420 L 413.880 357.900 L 414.940 358.620 L 415.860 359.520 L 416.180 359.960 L S 417.220 365.800 M 416.880 366.720 L 416.240 367.800 L 415.400 368.700 L 414.400 369.420 L 413.260 369.900 L 412.060 370.160 L 410.820 370.160 L 409.580 369.920 L 408.400 369.440 L 407.340 368.720 L 406.420 367.820 L 405.680 366.760 L S 406.180 367.520 M 406.380 367.020 L 407.320 366.020 L 408.840 364.660 L 410.700 363.140 L 412.640 361.700 L 414.340 360.560 L 415.560 359.900 L 416.100 359.820 L S 407.360 358.260 M 407.800 358.080 L 408.360 358.120 L 409.040 358.380 L 409.780 358.820 L 410.600 359.460 L 411.420 360.260 L 412.240 361.200 L 413.020 362.220 L 413.620 363.160 L S 414.460 364.700 M 414.800 365.460 L 415.140 366.460 L 415.320 367.360 L 415.360 368.100 L 415.220 368.680 L 414.920 369.080 L S 416.300 367.700 M 415.540 368.560 L 414.600 369.200 L 413.540 369.660 L 412.380 369.880 L 411.180 369.840 L 409.980 369.580 L 408.820 369.100 L 407.740 368.400 L 406.800 367.520 L 406.020 366.500 L 405.440 365.360 L 405.080 364.160 L 404.960 362.940 L 405.080 361.760 L 405.420 360.640 L 405.980 359.640 L S 231.040 472.480 M 243.160 472.280 L S 242.860 472.000 M 230.620 472.260 L S 230.440 472.040 M 242.440 471.720 L S 242.060 471.460 M 230.340 471.800 L S 230.340 471.580 M 241.700 471.180 L S 241.380 470.920 M 230.580 471.340 L 230.340 471.580 L 230.340 471.800 L 230.440 472.040 L 230.620 472.260 L 231.040 472.480 L S 223.020 465.840 M 224.580 465.040 L 226.240 464.500 L 227.920 464.240 L 229.560 464.280 L 231.080 464.620 L 232.460 465.260 L 233.620 466.140 L 234.500 467.260 L 235.100 468.560 L 235.160 468.800 L S 234.660 473.700 M 234.300 474.500 L 233.320 475.900 L 232.100 477.140 L 230.680 478.180 L 229.120 479.000 L 227.460 479.540 L 225.780 479.800 L 224.140 479.740 L 222.620 479.400 L 221.240 478.780 L 220.080 477.880 L 219.180 476.780 L 218.580 475.480 L 218.300 474.060 L 218.340 472.540 L 218.720 471.020 L 219.400 469.520 L 220.380 468.140 L 221.580 466.900 L 223.020 465.840 L S 221.540 478.940 M 221.240 478.520 L 221.160 477.840 L 221.300 476.960 L 221.640 475.860 L 222.200 474.640 L 222.920 473.300 L 223.800 471.920 L 224.800 470.540 L 225.880 469.220 L 226.980 468.000 L 228.080 466.940 L 229.140 466.080 L 230.120 465.440 L 230.960 465.060 L 231.640 464.940 L 232.160 465.100 L S 221.400 467.060 M 222.200 466.480 L 223.200 466.120 L 224.320 465.980 L 225.540 466.080 L 226.820 466.400 L 228.080 466.940 L 229.320 467.680 L 230.440 468.580 L 231.440 469.600 L 232.100 470.500 L S 233.260 473.240 M 233.380 474.220 L 233.260 475.280 L 232.900 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327.760 447.840 L S 317.660 454.600 M 317.040 454.360 L S 316.940 454.300 M 316.520 453.540 L 316.580 452.060 L 316.820 451.140 L S 317.180 449.920 M 318.000 447.960 L 319.140 445.960 L 320.340 444.400 L 321.440 443.520 L 322.260 443.460 L S 318.440 442.180 M 320.280 442.680 L 322.100 443.400 L 323.820 444.340 L 325.360 445.460 L 326.700 446.700 L 327.640 447.880 L S 323.240 451.020 M 323.080 450.940 L 321.340 450.180 L 319.540 449.340 L 317.740 448.500 L 316.020 447.680 L 314.420 446.900 L 313.020 446.200 L 311.880 445.580 L 311.040 445.120 L 310.520 444.780 L 310.360 444.620 L S 478.440 411.040 M 486.400 412.560 L S 486.440 412.380 M 477.720 410.900 L S 477.380 410.840 M 486.480 412.200 L S 486.540 412.000 M 477.140 410.780 L S 477.020 410.740 M 486.600 411.800 L S 486.660 411.600 M 477.280 410.740 L 477.020 410.740 L 477.140 410.780 L 477.380 410.840 L 477.720 410.900 L 478.440 411.040 L S 473.660 403.620 M 475.260 403.540 L 476.840 403.700 L 478.200 404.100 L S 482.420 408.160 M 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474.260 407.960 L 472.780 407.660 L 471.360 407.480 L 470.060 407.400 L 468.940 407.440 L 468.060 407.600 L 467.400 407.860 L 467.040 408.240 L S 475.900 403.580 M 475.080 403.640 L 474.260 403.960 L 473.420 404.540 L 472.660 405.340 L 471.960 406.320 L 471.360 407.480 L 470.880 408.740 L 470.560 410.080 L 470.380 411.420 L 470.380 412.740 L 470.520 413.960 L 470.840 415.040 L 471.300 415.940 L 471.880 416.640 L 472.580 417.100 L 473.340 417.300 L S 431.660 382.440 M 416.360 367.640 L S 416.120 367.940 M 431.700 382.900 L S 431.520 383.160 M 415.900 368.220 L S 415.640 368.480 M 431.240 383.340 L S 430.760 383.300 M 415.360 368.720 L S 430.760 383.300 M 431.240 383.340 L 431.520 383.160 L 431.700 382.900 L 431.660 382.440 L S 441.060 390.840 M 467.720 407.060 L S 467.920 406.780 M 441.100 390.480 L S 441.260 390.180 M 468.160 406.520 L S 468.400 406.240 M 441.440 389.920 L S 441.740 389.720 M 468.640 406.000 L S 441.740 389.720 M 441.440 389.920 L 441.260 390.180 L 441.100 390.480 L 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-14.49 17.55 5 9 -14 4.84 18.07 5 9 -14 19.19 19.73 5 9 -14 -12.85 14.06 -5 -9 14 19.58 12.47 -5 -9 14 13.11 20.23 -5 -9 14 31.18 19.62 -6 -9 15 193.45 28.89 6 9 -15 155.57 34.61 -6 -9 15 231.91 38.91 6 9 -15 180.50 36.39 -6 -9 15 210.47 39.54 6 9 -15 165.63 37.85 -7 -9 16 6.42 23.32 -7 -9 16 14.29 20.46 7 9 -16 4.84 20.58 7 9 -16 -37.56 16.92 8 9 -17 62.71 30.45 -8 -9 17 65.57 28.61 8 9 -17 80.71 28.64 -8 -9 17 81.41 32.14 9 9 -18 9.98 24.53 -9 -9 18 42.91 31.42 9 9 -18 16.42 26.67 10 9 -19 61.38 35.79 -10 -9 19 6.27 28.35 14 -10 -4 45.01 40.09 -14 10 4 4.89 28.06 -14 10 4 -39.89 32.74 -13 10 3 25.48 28.66 -13 10 3 19.79 31.41 13 -10 -3 4.86 31.46 -12 10 2 38.62 31.13 12 -10 -2 49.43 33.73 -12 10 2 2.19 22.08 12 -10 -2 35.85 27.47 -12 10 2 11.40 27.53 11 -10 -1 26.09 33.26 -11 10 1 13.71 23.99 -11 10 1 4.23 23.45 -11 10 1 -7.69 30.74 10 -10 0 -18.41 28.35 -10 10 0 71.32 31.14 -10 10 0 46.53 23.42 -10 10 0 23.19 25.25 10 -10 0 4.22 21.42 9 -10 1 6.27 26.86 -9 10 -1 5.94 18.28 -9 10 -1 -0.06 22.10 -9 10 -1 13.01 21.23 9 -10 1 16.29 20.81 -8 10 -2 63.52 28.63 8 -10 2 66.61 27.08 8 -10 2 121.81 29.52 -8 10 -2 182.77 31.04 -8 10 -2 86.32 26.46 -8 10 -2 127.28 29.79 8 -10 2 148.51 34.44 7 -10 3 -7.43 16.29 7 -10 3 8.53 19.72 -7 10 -3 23.98 17.06 -7 10 -3 -6.50 18.95 -7 10 -3 8.94 15.99 -7 10 -3 8.88 17.60 7 -10 3 -17.92 13.69 7 -10 3 7.92 19.67 -6 10 -4 3.95 16.38 6 -10 4 8.20 17.75 -6 10 -4 20.93 17.66 6 -10 4 -15.23 17.25 6 -10 4 -2.15 16.35 6 -10 4 -0.03 15.09 -6 10 -4 1.45 15.82 -6 10 -4 0.24 13.84 -5 10 -5 -1.12 14.68 5 -10 5 35.31 19.06 -5 10 -5 -25.87 11.45 5 -10 5 -2.75 15.07 -5 10 -5 -8.95 14.47 -5 10 -5 15.05 18.38 5 -10 5 10.46 17.09 5 -10 5 -24.14 21.01 5 -10 5 14.89 14.96 -4 10 -6 210.38 32.74 -4 10 -6 153.60 28.62 4 -10 6 181.09 30.94 -4 10 -6 229.05 34.28 4 -10 6 154.49 34.09 4 -10 6 208.87 32.14 -4 10 -6 224.17 32.01 -4 10 -6 203.15 33.64 4 -10 6 153.30 31.91 4 -10 6 135.41 30.24 -3 10 -7 1.70 13.62 -3 10 -7 -12.02 12.66 3 -10 7 -5.16 15.31 3 -10 7 -17.13 12.07 -3 10 -7 29.50 14.81 3 -10 7 24.51 17.05 -3 10 -7 3.62 17.03 -3 10 -7 -26.83 13.39 3 -10 7 -38.98 15.92 -2 10 -8 22.79 13.54 -2 10 -8 -9.78 16.05 -2 10 -8 21.45 15.39 2 -10 8 12.66 17.13 2 -10 8 -22.25 17.34 -2 10 -8 -19.23 11.93 2 -10 8 -22.19 12.78 -2 10 -8 -14.82 14.20 2 -10 8 14.19 16.51 -1 10 -9 9.29 14.24 1 -10 9 6.48 13.77 1 -10 9 -17.17 18.29 -1 10 -9 10.26 14.56 -1 10 -9 3.10 15.27 1 -10 9 0.87 16.18 1 -10 9 -14.95 14.72 -1 10 -9 -18.89 16.97 0 10 -10 225.67 35.42 0 -10 10 207.67 36.61 0 -10 10 319.24 38.32 0 10 -10 243.11 36.51 0 -10 10 233.64 37.62 0 10 -10 227.19 37.25 0 -10 10 234.81 40.25 -1 -10 11 -14.29 14.82 1 10 -11 8.38 17.09 -1 -10 11 16.15 16.09 1 10 -11 7.20 14.38 -1 -10 11 -8.25 23.99 1 10 -11 0.31 13.36 -2 -10 12 261.27 43.10 2 10 -12 250.08 40.64 2 10 -12 295.61 41.76 -2 -10 12 297.28 44.24 -2 -10 12 338.50 47.77 -2 -10 12 343.84 42.37 2 10 -12 248.40 42.48 -3 -10 13 3.39 17.98 -3 -10 13 6.39 14.50 3 10 -13 9.59 18.68 -3 -10 13 66.83 21.68 3 10 -13 10.82 15.63 3 10 -13 -25.24 15.03 4 10 -14 100.50 25.48 4 10 -14 76.75 26.25 -4 -10 14 104.93 25.85 -4 -10 14 51.36 13.87 -4 -10 14 71.02 24.18 4 10 -14 97.01 25.62 -5 -10 15 37.15 23.05 -5 -10 15 -1.87 11.05 5 10 -15 24.15 18.68 5 10 -15 8.82 20.41 5 10 -15 -13.48 19.39 5 10 -15 -3.97 15.68 -5 -10 15 -33.22 14.59 -6 -10 16 2.07 20.65 6 10 -16 -6.96 18.91 6 10 -16 -22.24 16.54 6 10 -16 -24.78 20.99 -6 -10 16 0.64 14.88 -6 -10 16 13.73 22.56 7 10 -17 -12.04 19.40 -7 -10 17 -0.33 22.69 -7 -10 17 16.10 18.54 -7 -10 17 38.00 26.71 7 10 -17 49.51 29.69 8 10 -18 223.94 46.26 -8 -10 18 209.88 44.23 -8 -10 18 178.37 46.44 -8 -10 18 243.51 37.24 8 10 -18 264.73 51.45 -9 -10 19 3.37 30.66 9 10 -19 -6.68 24.58 -9 -10 19 -1.29 23.33 9 10 -19 45.31 30.56 10 10 -20 12.88 32.28 -10 -10 20 12.83 34.11 -13 11 2 15.61 31.47 -13 11 2 -0.20 24.50 13 -11 -2 -2.67 30.44 -12 11 1 14.28 30.43 -12 11 1 -11.28 25.40 -12 11 1 2.30 22.38 12 -11 -1 22.46 30.96 11 -11 0 -35.41 23.78 11 -11 0 -5.52 22.59 -11 11 0 -31.84 21.92 -11 11 0 -0.90 18.17 -11 11 0 -6.66 22.81 10 -11 1 7.68 22.10 10 -11 1 11.51 27.72 -10 11 -1 -15.33 22.27 -10 11 -1 -30.55 20.45 -10 11 -1 51.60 27.77 -9 11 -2 -25.65 17.95 9 -11 2 -49.87 20.76 9 -11 2 -5.59 19.05 -9 11 -2 -3.77 17.10 -9 11 -2 -3.86 22.36 -8 11 -3 52.40 21.47 -8 11 -3 48.45 22.35 8 -11 3 18.48 20.71 -8 11 -3 44.21 22.56 8 -11 3 24.81 22.99 -8 11 -3 -10.98 16.59 8 -11 3 1.75 21.95 7 -11 4 -8.56 18.48 -7 11 -4 -2.48 16.15 7 -11 4 25.95 21.91 -7 11 -4 0.30 20.05 7 -11 4 -5.04 16.97 7 -11 4 -11.84 14.81 -7 11 -4 -16.93 15.68 -7 11 -4 -19.66 13.75 -6 11 -5 21.19 17.83 6 -11 5 56.75 22.61 -6 11 -5 31.72 20.95 -6 11 -5 57.31 20.74 -6 11 -5 83.28 25.17 6 -11 5 39.33 21.95 6 -11 5 37.37 20.77 6 -11 5 30.07 21.23 -5 11 -6 8.48 13.62 5 -11 6 7.54 17.54 5 -11 6 -9.02 16.76 5 -11 6 12.19 15.94 -5 11 -6 -25.68 14.41 -5 11 -6 -1.51 15.95 5 -11 6 14.38 16.12 -5 11 -6 26.52 16.92 4 -11 7 20.84 16.91 4 -11 7 25.32 17.97 -4 11 -7 -6.66 13.14 4 -11 7 21.62 21.48 -4 11 -7 9.40 16.80 -4 11 -7 45.34 16.27 4 -11 7 38.56 19.88 -4 11 -7 -5.87 18.22 4 -11 7 49.03 20.87 -3 11 -8 1.02 14.53 -3 11 -8 7.28 14.88 -3 11 -8 10.60 15.50 -3 11 -8 -19.45 12.68 3 -11 8 -30.99 19.72 3 -11 8 19.81 15.64 3 -11 8 -7.59 14.68 3 -11 8 16.87 17.19 -2 11 -9 7.69 15.65 -2 11 -9 11.40 14.35 -2 11 -9 -6.63 12.29 2 -11 9 -16.07 13.70 2 -11 9 -7.04 23.78 2 -11 9 27.74 18.08 2 -11 9 21.96 16.33 -2 11 -9 -14.31 15.39 -1 11 -10 4.53 14.00 -1 11 -10 -4.04 17.50 1 -11 10 -14.93 12.90 -1 11 -10 9.07 14.78 1 -11 10 38.90 18.85 1 -11 10 -0.53 21.98 1 -11 10 2.85 17.36 0 -11 11 241.56 38.65 0 11 -11 252.91 36.28 0 11 -11 265.28 37.52 0 -11 11 147.14 34.09 0 -11 11 223.15 35.56 0 11 -11 231.94 37.86 0 -11 11 172.28 38.48 -1 -11 12 8.01 24.59 1 11 -12 15.11 17.82 -1 -11 12 -1.34 17.18 -1 -11 12 -1.88 14.10 1 11 -12 -17.35 12.52 -1 -11 12 -9.19 18.08 1 11 -12 -28.39 13.22 -2 -11 13 50.60 23.07 2 11 -13 98.25 28.05 -2 -11 13 72.68 22.42 2 11 -13 55.71 23.24 2 11 -13 86.03 24.68 3 11 -14 12.57 15.99 -3 -11 14 23.36 19.49 3 11 -14 -27.82 16.40 3 11 -14 -11.49 14.98 -3 -11 14 25.66 18.12 4 11 -15 13.09 18.64 -4 -11 15 4.80 17.25 -4 -11 15 -11.86 20.25 4 11 -15 -1.66 20.05 4 11 -15 2.61 14.72 5 11 -16 6.84 22.46 -5 -11 16 12.21 24.31 5 11 -16 17.44 20.63 -5 -11 16 8.00 11.47 -5 -11 16 23.11 22.13 5 11 -16 -16.97 16.67 6 11 -17 23.61 25.56 -6 -11 17 -17.93 23.86 -6 -11 17 6.30 19.65 6 11 -17 -12.43 18.62 -6 -11 17 -1.15 13.53 7 11 -18 -13.67 18.71 -7 -11 18 47.03 29.66 7 11 -18 -21.48 23.37 -7 -11 18 7.08 24.16 -7 -11 18 -7.48 16.80 8 11 -19 51.36 32.16 -8 -11 19 36.85 23.73 -8 -11 19 26.83 28.31 8 11 -19 80.80 31.58 -9 -11 20 17.29 29.53 9 11 -20 -28.06 27.28 -13 12 1 21.69 34.24 -13 12 1 13.02 23.83 13 -12 -1 8.42 36.76 12 -12 0 -29.45 32.24 -12 12 0 18.32 29.05 -12 12 0 -15.00 21.44 -12 12 0 -3.64 28.30 11 -12 1 15.27 30.07 -11 12 -1 -13.07 20.52 -11 12 -1 8.57 27.77 11 -12 1 39.58 26.89 -11 12 -1 -35.83 23.76 10 -12 2 0.03 22.80 -10 12 -2 21.47 26.08 10 -12 2 4.88 28.51 -10 12 -2 -6.78 20.65 -10 12 -2 26.16 28.14 -9 12 -3 -6.90 15.79 9 -12 3 -8.89 25.49 9 -12 3 -14.23 20.81 -9 12 -3 14.39 22.19 -9 12 -3 -15.79 17.63 8 -12 4 262.71 42.34 -8 12 -4 215.73 39.45 -8 12 -4 150.35 39.09 8 -12 4 277.67 46.54 8 -12 4 234.26 43.31 -8 12 -4 221.75 41.15 7 -12 5 13.49 23.89 -7 12 -5 -16.99 17.53 7 -12 5 -2.80 15.79 -7 12 -5 -1.12 17.52 -7 12 -5 -8.84 13.30 7 -12 5 44.28 23.47 -7 12 -5 0.26 24.67 6 -12 6 93.02 13.91 -6 12 -6 107.60 27.05 -6 12 -6 104.38 27.99 -6 12 -6 123.62 25.42 6 -12 6 101.93 30.14 6 -12 6 62.12 27.06 6 -12 6 68.97 27.06 6 -12 6 109.44 27.49 -6 12 -6 120.73 28.59 5 -12 7 8.11 19.94 5 -12 7 -4.58 15.18 -5 12 -7 -13.51 16.04 -5 12 -7 8.59 15.82 5 -12 7 -4.81 17.41 5 -12 7 -13.87 17.90 -5 12 -7 -11.81 14.56 -5 12 -7 -4.89 13.21 4 -12 8 -0.10 16.97 -4 12 -8 34.95 21.30 4 -12 8 -42.97 12.31 4 -12 8 42.71 21.49 -4 12 -8 1.17 15.77 -4 12 -8 -6.56 14.79 -4 12 -8 -0.65 12.83 3 -12 9 25.26 21.47 -3 12 -9 4.26 13.85 3 -12 9 17.31 18.17 -3 12 -9 4.81 17.57 -3 12 -9 20.18 17.35 3 -12 9 1.49 15.84 -3 12 -9 -1.41 16.41 -2 12 -10 1.71 16.34 2 -12 10 7.50 16.56 2 -12 10 20.42 20.22 -2 12 -10 -1.38 12.71 -2 12 -10 13.60 19.02 -2 12 -10 18.74 16.64 2 -12 10 -4.20 17.57 -1 12 -11 25.60 17.50 1 -12 11 7.91 18.78 1 -12 11 -6.95 14.52 -1 12 -11 1.31 14.60 -1 12 -11 10.56 16.43 1 -12 11 6.81 16.66 0 -12 12 64.79 22.81 0 12 -12 38.86 19.03 0 -12 12 20.43 20.52 0 -12 12 25.97 17.14 0 12 -12 21.90 17.92 0 12 -12 8.15 19.59 1 12 -13 9.23 18.52 1 12 -13 -8.33 16.39 1 12 -13 -7.37 16.76 -1 -12 13 -31.48 12.07 -1 -12 13 0.61 18.23 2 12 -14 38.34 19.39 2 12 -14 40.06 22.35 2 12 -14 22.38 17.85 -2 -12 14 1.65 16.07 -2 -12 14 10.34 21.03 -3 -12 15 -11.24 14.63 3 12 -15 1.69 16.70 3 12 -15 12.86 15.20 3 12 -15 -15.78 19.34 -3 -12 15 -17.67 19.35 4 12 -16 237.98 43.42 -4 -12 16 204.24 41.58 4 12 -16 331.43 50.15 -4 -12 16 217.33 45.32 4 12 -16 301.83 45.94 5 12 -17 17.37 23.83 -5 -12 17 -5.80 24.22 5 12 -17 16.01 19.98 -5 -12 17 -9.82 18.37 6 12 -18 2.50 22.12 -6 -12 18 20.12 25.67 -6 -12 18 21.89 15.56 6 12 -18 56.80 29.63 -6 -12 18 7.79 24.90 7 12 -19 13.48 23.84 -7 -12 19 24.30 18.26 -7 -12 19 6.13 29.46 7 12 -19 -37.04 22.49 8 12 -20 35.76 35.83 -8 -12 20 22.90 32.78 8 12 -20 36.85 32.46 9 12 -21 1.95 34.14 -9 -12 21 60.85 34.14 13 -13 0 -16.35 34.86 -13 13 0 26.85 33.61 -13 13 0 28.35 26.55 -12 13 -1 76.22 35.92 12 -13 1 -1.08 31.50 -12 13 -1 51.10 29.57 -11 13 -2 -34.57 18.40 11 -13 2 15.39 30.35 -11 13 -2 11.54 27.47 11 -13 2 -7.40 22.33 -11 13 -2 -13.31 28.56 -10 13 -3 -15.67 29.19 10 -13 3 97.88 32.76 -10 13 -3 7 data_i11029 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C34 H61 Cl2 Mo N5 O2' _chemical_formula_weight 738.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mo' 'Mo' -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 13.301(3) _cell_length_b 22.228(4) _cell_length_c 14.433(3) _cell_angle_alpha 90.00 _cell_angle_beta 113.40(3) _cell_angle_gamma 90.00 _cell_volume 3916.5(14) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.14 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.253 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1568 _exptl_absorpt_coefficient_mu 0.505 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details 'SADABS (Sheldrick, 2003)' _exptl_special_details ; Data collection is performed with four batch runs at \f = 0.00 \% (600 frames), at \f = 90.00 \% (600 frames), at \f = 180 \% (600 frames) and at \f = 270 \% (600 frames). Frame width = 0.30 \& in \w. Data is merged, corrected for decay, and treated with multi-scan absorption corrections. ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker AXS APEX diffractometer' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 836.6 _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 1 _diffrn_reflns_number 32760 _diffrn_reflns_av_R_equivalents 0.0480 _diffrn_reflns_av_sigmaI/netI 0.0638 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.39 _diffrn_reflns_theta_max 27.10 _reflns_number_total 8568 _reflns_number_gt 6027 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 2002)' _computing_cell_refinement 'SAINT (Bruker, 2002)' _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 2001)' _computing_publication_material 'SHELXTL (Sheldrick, 2001)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0579P)^2^+0.0520P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 8568 _refine_ls_number_parameters 425 _refine_ls_number_restraints 96 _refine_ls_R_factor_all 0.0749 _refine_ls_R_factor_gt 0.0444 _refine_ls_wR_factor_ref 0.1142 _refine_ls_wR_factor_gt 0.1005 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.050 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Mo Mo 0.20555(2) 0.665548(11) 0.554942(17) 0.02106(9) Uani 1 1 d . . . Cl1 Cl 0.05493(6) 0.63882(4) 0.39822(5) 0.0389(2) Uani 1 1 d . . . Cl2 Cl 0.17573(7) 0.76667(4) 0.48024(5) 0.0342(2) Uani 1 1 d . . . N1 N 0.40353(19) 0.72762(11) 0.74869(16) 0.0234(5) Uani 1 1 d . . . N2 N 0.24409(19) 0.75219(10) 0.73913(16) 0.0236(5) Uani 1 1 d . . . N3 N -0.0182(2) 0.83683(12) 0.64524(19) 0.0306(6) Uani 1 1 d . . . H3 H -0.026(3) 0.8340(14) 0.695(3) 0.037 Uiso 1 1 d . . . N4 N 0.30792(19) 0.62931(11) 0.53168(17) 0.0261(6) Uani 1 1 d . . . N5 N 0.15823(19) 0.61846(11) 0.62407(17) 0.0278(6) Uani 1 1 d . A . O1 O 0.6733(2) 0.80834(13) 0.95304(19) 0.0526(7) Uani 1 1 d . . . O2 O 0.4543(4) 0.92203(19) 0.7110(3) 0.1067(13) Uani 1 1 d . . . C1 C 0.5471(3) 0.65226(14) 0.7969(2) 0.0308(7) Uani 1 1 d . . . C2 C 0.6407(3) 0.63033(17) 0.7888(2) 0.0418(9) Uani 1 1 d . . . H2A H 0.6773 0.5982 0.8295 0.050 Uiso 1 1 calc R . . C3 C 0.6816(3) 0.65400(18) 0.7233(3) 0.0433(10) Uani 1 1 d . . . C4 C 0.6286(3) 0.70293(18) 0.6659(2) 0.0431(9) Uani 1 1 d . . . H4A H 0.6567 0.7201 0.6224 0.052 Uiso 1 1 calc R . . C5 C 0.5351(3) 0.72750(15) 0.6707(2) 0.0302(7) Uani 1 1 d . . . C6 C 0.4959(2) 0.70073(14) 0.7361(2) 0.0274(7) Uani 1 1 d . . . C7 C 0.5045(3) 0.62517(16) 0.8693(3) 0.0443(9) Uani 1 1 d . . . H7A H 0.4299 0.6126 0.8332 0.066 Uiso 1 1 calc R . . H7B H 0.5077 0.6545 0.9192 0.066 Uiso 1 1 calc R . . H7C H 0.5484 0.5910 0.9018 0.066 Uiso 1 1 calc R . . C8 C 0.7827(3) 0.6286(2) 0.7144(3) 0.0705(14) Uani 1 1 d . . . H8A H 0.7960 0.5886 0.7420 0.106 Uiso 1 1 calc R . . H8B H 0.8446 0.6537 0.7510 0.106 Uiso 1 1 calc R . . H8C H 0.7719 0.6272 0.6446 0.106 Uiso 1 1 calc R . . C9 C 0.4808(3) 0.78116(16) 0.6087(2) 0.0444(9) Uani 1 1 d . . . H9A H 0.4721 0.8118 0.6518 0.067 Uiso 1 1 calc R . . H9B H 0.4103 0.7699 0.5593 0.067 Uiso 1 1 calc R . . H9C H 0.5253 0.7963 0.5753 0.067 Uiso 1 1 calc R . . C10 C 0.2953(2) 0.71955(13) 0.69156(19) 0.0215(6) Uani 1 1 d . . . C11 C 0.4187(2) 0.76483(14) 0.8307(2) 0.0277(7) Uani 1 1 d . . . H11A H 0.4854 0.7767 0.8804 0.033 Uiso 1 1 calc R . . C12 C 0.3194(2) 0.78027(14) 0.8244(2) 0.0289(7) Uani 1 1 d . . . H12A H 0.3036 0.8051 0.8686 0.035 Uiso 1 1 calc R . . C13 C 0.1268(2) 0.76325(13) 0.7050(2) 0.0253(7) Uani 1 1 d . . . H13A H 0.1037 0.7541 0.7594 0.030 Uiso 1 1 calc R . . H13B H 0.0873 0.7368 0.6489 0.030 Uiso 1 1 calc R . . C14 C 0.0988(2) 0.82745(14) 0.6726(2) 0.0292(7) Uani 1 1 d . . . H14A H 0.1408 0.8543 0.7273 0.035 Uiso 1 1 calc R . . H14B H 0.1169 0.8361 0.6152 0.035 Uiso 1 1 calc R . . C15 C -0.0629(3) 0.89413(15) 0.5954(2) 0.0358(8) Uani 1 1 d . . . C16 C -0.0708(3) 0.89122(17) 0.4868(2) 0.0491(10) Uani 1 1 d . . . H16A H 0.0015 0.8885 0.4874 0.074 Uiso 1 1 calc R . . H16B H -0.1063 0.9268 0.4512 0.074 Uiso 1 1 calc R . . H16C H -0.1125 0.8565 0.4538 0.074 Uiso 1 1 calc R . . C17 C 0.0047(3) 0.94887(15) 0.6483(3) 0.0446(9) Uani 1 1 d . . . H17A H 0.0762 0.9462 0.6471 0.067 Uiso 1 1 calc R . . H17B H 0.0115 0.9500 0.7170 0.067 Uiso 1 1 calc R . . H17C H -0.0310 0.9848 0.6141 0.067 Uiso 1 1 calc R . . C18 C -0.1781(3) 0.89902(18) 0.5942(3) 0.0519(10) Uani 1 1 d . . . H18A H -0.1736 0.8983 0.6623 0.078 Uiso 1 1 calc R . . H18B H -0.2217 0.8658 0.5573 0.078 Uiso 1 1 calc R . . H18C H -0.2111 0.9361 0.5625 0.078 Uiso 1 1 calc R . . C19 C 0.3624(2) 0.57327(13) 0.5213(2) 0.0263(7) Uani 1 1 d . . . C20 C 0.4574(3) 0.59074(14) 0.4931(3) 0.0369(8) Uani 1 1 d . . . H20A H 0.4292 0.6077 0.4265 0.055 Uiso 1 1 calc R . . H20B H 0.5000 0.5557 0.4945 0.055 Uiso 1 1 calc R . . H20C H 0.5027 0.6198 0.5405 0.055 Uiso 1 1 calc R . . C21 C 0.4033(3) 0.53884(15) 0.6203(2) 0.0380(8) Uani 1 1 d . . . H21A H 0.4594 0.5618 0.6713 0.057 Uiso 1 1 calc R . . H21B H 0.4328 0.5008 0.6117 0.057 Uiso 1 1 calc R . . H21C H 0.3436 0.5322 0.6405 0.057 Uiso 1 1 calc R . . C22 C 0.2774(3) 0.53673(15) 0.4375(2) 0.0399(8) Uani 1 1 d . . . H22A H 0.2506 0.5599 0.3763 0.060 Uiso 1 1 calc R . . H22B H 0.2178 0.5270 0.4563 0.060 Uiso 1 1 calc R . . H22C H 0.3104 0.5003 0.4271 0.060 Uiso 1 1 calc R . . C23 C 0.1129(3) 0.57785(14) 0.6758(2) 0.0328(7) Uani 1 1 d DU . . C24 C 0.1084(14) 0.5159(5) 0.6224(11) 0.075(2) Uani 0.348(7) 1 d PDU A 1 H24A H 0.0749 0.5212 0.5506 0.113 Uiso 0.348(7) 1 calc PR A 1 H24B H 0.0660 0.4879 0.6427 0.113 Uiso 0.348(7) 1 calc PR A 1 H24C H 0.1813 0.5006 0.6414 0.113 Uiso 0.348(7) 1 calc PR A 1 C25 C 0.0034(9) 0.5971(8) 0.6620(12) 0.070(2) Uani 0.348(7) 1 d PDU A 1 H25A H -0.0352 0.6110 0.5940 0.105 Uiso 0.348(7) 1 calc PR A 1 H25B H 0.0084 0.6291 0.7083 0.105 Uiso 0.348(7) 1 calc PR A 1 H25C H -0.0355 0.5638 0.6746 0.105 Uiso 0.348(7) 1 calc PR A 1 C26 C 0.1974(11) 0.5735(8) 0.7830(7) 0.080(3) Uani 0.348(7) 1 d PDU A 1 H26A H 0.2643 0.5574 0.7828 0.120 Uiso 0.348(7) 1 calc PR A 1 H26B H 0.1706 0.5475 0.8212 0.120 Uiso 0.348(7) 1 calc PR A 1 H26C H 0.2108 0.6128 0.8130 0.120 Uiso 0.348(7) 1 calc PR A 1 C24' C 0.1570(7) 0.5155(3) 0.6831(7) 0.075(2) Uani 0.652(7) 1 d PDU A 2 H24D H 0.1107 0.4882 0.6995 0.113 Uiso 0.652(7) 1 calc PR A 2 H24E H 0.2298 0.5141 0.7349 0.113 Uiso 0.652(7) 1 calc PR A 2 H24F H 0.1590 0.5043 0.6196 0.113 Uiso 0.652(7) 1 calc PR A 2 C25' C -0.0110(5) 0.5766(4) 0.6137(6) 0.070(2) Uani 0.652(7) 1 d PDU A 2 H25D H -0.0256 0.5616 0.5472 0.105 Uiso 0.652(7) 1 calc PR A 2 H25E H -0.0400 0.6166 0.6089 0.105 Uiso 0.652(7) 1 calc PR A 2 H25F H -0.0452 0.5508 0.6461 0.105 Uiso 0.652(7) 1 calc PR A 2 C26' C 0.1335(8) 0.6054(4) 0.7802(4) 0.080(3) Uani 0.652(7) 1 d PDU A 2 H26D H 0.2108 0.6107 0.8177 0.120 Uiso 0.652(7) 1 calc PR A 2 H26E H 0.1051 0.5789 0.8165 0.120 Uiso 0.652(7) 1 calc PR A 2 H26F H 0.0974 0.6437 0.7712 0.120 Uiso 0.652(7) 1 calc PR A 2 C27 C 0.7569(3) 0.7671(2) 0.9643(4) 0.0657(12) Uani 1 1 d . . . H27A H 0.7255 0.7280 0.9390 0.079 Uiso 1 1 calc R . . H27B H 0.8042 0.7628 1.0352 0.079 Uiso 1 1 calc R . . C28 C 0.8206(4) 0.7884(2) 0.9083(4) 0.0765(14) Uani 1 1 d . . . H28A H 0.8271 0.7571 0.8641 0.092 Uiso 1 1 calc R . . H28B H 0.8935 0.8005 0.9542 0.092 Uiso 1 1 calc R . . C29 C 0.7584(4) 0.8405(2) 0.8488(3) 0.0675(13) Uani 1 1 d . . . H29A H 0.7125 0.8287 0.7803 0.081 Uiso 1 1 calc R . . H29B H 0.8075 0.8723 0.8469 0.081 Uiso 1 1 calc R . . C30 C 0.6897(3) 0.8605(2) 0.9056(3) 0.0592(11) Uani 1 1 d . . . H30A H 0.7278 0.8910 0.9552 0.071 Uiso 1 1 calc R . . H30B H 0.6202 0.8769 0.8594 0.071 Uiso 1 1 calc R . . C31 C 0.4817(4) 0.9473(2) 0.6392(4) 0.0851(15) Uani 1 1 d . . . H31A H 0.5422 0.9254 0.6335 0.102 Uiso 1 1 calc R . . H31B H 0.5045 0.9886 0.6569 0.102 Uiso 1 1 calc R . . C32 C 0.3846(4) 0.9452(2) 0.5415(3) 0.0786(15) Uani 1 1 d . . . H32A H 0.3883 0.9110 0.5012 0.094 Uiso 1 1 calc R . . H32B H 0.3785 0.9818 0.5030 0.094 Uiso 1 1 calc R . . C33 C 0.2898(4) 0.9391(3) 0.5736(4) 0.0866(15) Uani 1 1 d . . . H33A H 0.2467 0.9758 0.5601 0.104 Uiso 1 1 calc R . . H33B H 0.2426 0.9058 0.5393 0.104 Uiso 1 1 calc R . . C34 C 0.3436(5) 0.9279(3) 0.6812(4) 0.115(2) Uani 1 1 d . . . H34A H 0.3286 0.9610 0.7177 0.138 Uiso 1 1 calc R . . H34B H 0.3143 0.8915 0.6978 0.138 Uiso 1 1 calc R . . 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 Mo 0.02310(15) 0.02193(16) 0.01903(12) 0.00023(10) 0.00931(10) 0.00299(11) Cl1 0.0318(5) 0.0508(6) 0.0260(4) -0.0026(4) 0.0027(3) 0.0009(4) Cl2 0.0500(5) 0.0275(4) 0.0281(4) 0.0071(3) 0.0187(3) 0.0115(4) N1 0.0254(14) 0.0229(14) 0.0240(12) -0.0009(10) 0.0120(10) 0.0025(11) N2 0.0258(14) 0.0249(15) 0.0220(11) -0.0014(10) 0.0115(10) 0.0016(11) N3 0.0314(16) 0.0338(17) 0.0291(13) 0.0012(12) 0.0147(12) 0.0084(12) N4 0.0255(14) 0.0256(15) 0.0264(12) -0.0049(10) 0.0095(11) -0.0002(11) N5 0.0300(14) 0.0302(16) 0.0217(12) -0.0007(10) 0.0088(11) -0.0039(12) O1 0.0440(16) 0.0628(19) 0.0554(16) 0.0037(14) 0.0245(13) 0.0000(14) O2 0.121(3) 0.110(3) 0.073(2) -0.007(2) 0.021(2) -0.027(3) C1 0.0279(18) 0.031(2) 0.0300(16) -0.0034(13) 0.0082(13) 0.0046(14) C2 0.032(2) 0.050(2) 0.0349(18) -0.0098(16) 0.0041(15) 0.0125(17) C3 0.0242(19) 0.066(3) 0.0359(18) -0.0202(18) 0.0077(15) 0.0048(17) C4 0.032(2) 0.069(3) 0.0337(17) -0.0136(18) 0.0178(15) -0.0092(19) C5 0.0293(18) 0.037(2) 0.0270(15) -0.0080(14) 0.0146(13) -0.0049(15) C6 0.0257(17) 0.0315(19) 0.0264(15) -0.0070(13) 0.0120(13) -0.0014(14) C7 0.048(2) 0.040(2) 0.046(2) 0.0103(16) 0.0196(18) 0.0126(18) C8 0.035(2) 0.125(4) 0.051(2) -0.025(3) 0.0172(19) 0.020(2) C9 0.049(2) 0.050(2) 0.0405(19) 0.0073(17) 0.0243(17) -0.0046(18) C10 0.0231(16) 0.0225(17) 0.0203(13) 0.0019(11) 0.0102(12) 0.0020(13) C11 0.0295(18) 0.0309(19) 0.0226(14) -0.0058(12) 0.0103(13) -0.0029(14) C12 0.0316(18) 0.0332(19) 0.0244(14) -0.0067(13) 0.0137(13) 0.0010(15) C13 0.0215(16) 0.0308(19) 0.0274(14) -0.0038(13) 0.0137(13) 0.0019(13) C14 0.0282(18) 0.031(2) 0.0315(16) -0.0014(13) 0.0150(13) 0.0055(14) C15 0.0335(19) 0.038(2) 0.0330(17) -0.0013(15) 0.0100(14) 0.0099(16) C16 0.057(2) 0.052(3) 0.0349(18) 0.0101(17) 0.0136(17) 0.014(2) C17 0.050(2) 0.033(2) 0.049(2) 0.0002(16) 0.0184(18) 0.0094(17) C18 0.038(2) 0.056(3) 0.062(2) 0.005(2) 0.0203(19) 0.0180(19) C19 0.0284(17) 0.0235(17) 0.0293(15) -0.0022(12) 0.0141(13) 0.0055(13) C20 0.038(2) 0.0270(19) 0.055(2) -0.0014(16) 0.0287(17) 0.0039(15) C21 0.045(2) 0.033(2) 0.0389(18) 0.0017(15) 0.0200(16) 0.0114(16) C22 0.042(2) 0.031(2) 0.0450(19) -0.0124(15) 0.0148(16) 0.0029(16) C23 0.0361(19) 0.0311(19) 0.0353(16) 0.0037(14) 0.0183(14) -0.0081(15) C24 0.104(7) 0.043(3) 0.114(6) 0.037(4) 0.081(6) 0.011(4) C25 0.048(3) 0.091(7) 0.081(6) 0.024(5) 0.038(4) -0.007(4) C26 0.111(6) 0.100(7) 0.042(3) 0.007(3) 0.044(3) -0.045(5) C24' 0.104(7) 0.043(3) 0.114(6) 0.037(4) 0.081(6) 0.011(4) C25' 0.048(3) 0.091(7) 0.081(6) 0.024(5) 0.038(4) -0.007(4) C26' 0.111(6) 0.100(7) 0.042(3) 0.007(3) 0.044(3) -0.045(5) C27 0.054(3) 0.053(3) 0.089(3) 0.003(2) 0.028(3) 0.001(2) C28 0.075(3) 0.067(3) 0.109(4) -0.003(3) 0.060(3) -0.003(3) C29 0.062(3) 0.085(4) 0.060(3) 0.008(2) 0.029(2) -0.019(3) C30 0.057(3) 0.060(3) 0.054(2) 0.009(2) 0.015(2) 0.006(2) C31 0.090(4) 0.059(3) 0.091(4) 0.007(3) 0.020(3) -0.018(3) C32 0.112(4) 0.082(4) 0.054(3) 0.010(2) 0.045(3) 0.024(3) C33 0.079(4) 0.097(4) 0.079(3) 0.019(3) 0.026(3) 0.008(3) C34 0.080(4) 0.189(7) 0.086(4) 0.050(4) 0.044(3) 0.033(4) _geom_special_details ; All esds (except ?,206'2**=/7),5/4++0.5$*6-3"#=)7()?,:.-2+<,'5*3*7+4:95, 662?,>0>8: PV3;215<;/ TF4!(3)4%"=)< '6*7(+3*6/&4+6$+8"0*/>-2,3"?;2>,61%KS1 2&,6,:"V] 8'7*,7#6)*<&7),7,?))2.6.,6,>/.5-0,-0,3",7+5)-7,0("7)4,.3-6-3/2<00) 576&1"&?.4+)<.4"&6.2,(7.="'48_sQP0402+28"]LSB*0*?+&0*2/*<):.&7+2*)7)?*' *1.7)*3%<))6)0+*=,6'!7(3+*8,1./ ()3*=%/>+=+)0*=#'0+28VN<:+4365)= ZJ/(>#5(*2-78\O12*39356G6@<>*/.;7.>M@0.?$/2"7**9/'701;%5167*1988&6173#599<';195!299*3.3*1999#;230#699?-;25=,8992%>285"<99:&;$QO6%;<91'75"SX02,?322)='3UM33(41 7-1?MN.90//(=1'0SP):$<(+?.7?_{MR05',,74;X1@3(7*-2(09^vMY<4(,1:9 G0D;7 /,:6&:ZyYZRN0,76/Y3G:TC.-50(6YwP@>0,9842+19b M193)46?494)68/2997"1/RE!5&8*':&:4X@83'?/ R\\4G);?**7QB3K@<.5-,7-0-?KU.58#%.;5(9LE5%8/ :,7+9 DP(27'-(:4'?]yQL21(66 ;:_)C1055)428$I@15"/.33( ? QK/3>97-<11&MF37/!(5?.,9 ]N+1354)433!I~56&1685%566:/16;< 4?16/16;>$4?12.16;3&4?3<*16:>/4?4?"16>2/#TX&-45$.(5>Jv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l#V, 6).4"3(51.2319)45# LU6.4/=/71"VP13-5" WK6->020+02$TP2?&6517-1829 ?503*483="2505+<7:<-149?,578% %-=6$)->0$(-=5-+12-749>*8706,7507)5699,1501'<691#051:,:684+952;-66 ?/.,7;/,,00$(,7<.*74!454<,0! 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