AMS 2021.106 r99350 2021-12-03 2024-04-16T12:30:54.000 SINGLE POINT DFT PBE0 == Not Default == TZP TZP TZP TZP TZP 3320.485664 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Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 37.50000 2.76000 1 3 6167.38744816 14961.93884131 Acetonitrile Tungsten TZP Oxygen TZP Hydrogen TZP Nitrogen TZP Carbon TZP DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task SinglePoint System Atoms W 1.20477700380496 0.38192334240015 2.67927334741969 adf.R=1.992 W -3.17225245309023 2.08924466572102 3.23850614660686 adf.R=1.992 W 0.63079396810239 0.15578552540816 -1.14022610835345 adf.R=1.992 W -3.74346882283543 1.87129739619593 -0.58232824795824 adf.R=1.992 W -0.15675010413035 3.44049148549066 2.71445291802294 adf.R=1.992 W -1.81057454794048 -0.96545630186371 3.20522398543966 adf.R=1.992 W -0.7245506445661 3.21410440582583 -1.10665833192958 adf.R=1.992 W -2.38875136205708 -1.18704602257563 -0.61383565605138 adf.R=1.992 W -0.63196727914518 1.36498362795853 5.31670263387624 adf.R=1.992 W -1.90905288487628 0.88196219838132 -3.21888274043142 adf.R=1.992 O -0.97856659352001 1.23195098263175 3.01090004882825 adf.R=1.517 O -1.5646457861433 1.01172394164083 -0.91128404692094 adf.R=1.517 O 1.43716627835615 2.31915242704426 2.51572043412201 adf.R=1.517 O -2.08098578436055 3.68885764621994 2.9632653542315 adf.R=1.517 O 0.10917417910934 -1.22386010193603 2.91917649062316 adf.R=1.517 O -3.41216671572071 0.14939689435165 3.36925300692226 adf.R=1.517 O 0.87271739166745 2.09503259956397 -1.27127976055165 adf.R=1.517 O -2.64584600359526 3.47290111066655 -0.82263338147355 adf.R=1.517 O -0.46347112885083 -1.44444484552805 -0.86628072992503 adf.R=1.517 O -3.98163408082093 -0.06662304083631999 -0.41932854701846 adf.R=1.517 O -0.03413448318606 3.11346420408463 4.66412579644076 adf.R=1.517 O -1.36258164396252 -0.42939135935499 5.06742521600158 adf.R=1.517 O -1.17562292176538 2.67464791680759 -2.96778447106876 adf.R=1.517 O -2.50948493509099 -0.86504217124782 -2.56573884524942 adf.R=1.517 O -0.46029671817388 3.27665118015278 0.80516083207805 adf.R=1.517 O -2.07995537879291 -1.0241292091349 1.29169466749749 adf.R=1.517 O 1.06290285570477 0.65850172641733 4.64057596085606 adf.R=1.517 O -2.45753715175889 2.03090442758085 5.09015063530234 adf.R=1.517 O -0.08418732808414001 0.21434845773537 -2.99147484957763 adf.R=1.517 O -3.60262797605401 1.59160061173371 -2.54326995789172 adf.R=1.517 O 0.86576824198695 0.28927254760293 0.77525302071153 adf.R=1.517 O -3.40865453091061 1.95791320923282 1.32122237624231 adf.R=1.517 O 2.84975957052859 -0.22518745380855 2.70561756665933 adf.R=1.517 O -4.74466370693986 2.72980644019282 3.67935481421936 adf.R=1.517 O 2.20195539604913 -0.48839683287215 -1.58092660806046 adf.R=1.517 O -5.38545604122424 2.48934481104658 -0.61293375904905 adf.R=1.517 O -0.36981201066334 1.46710764561487 7.05729567224103 adf.R=1.517 O -2.1697558326996 0.78055989476793 -4.95970614163127 adf.R=1.517 O 0.4764427384472 5.07337243965602 2.76448135285577 adf.R=1.517 O -2.38337675704729 -2.57006002452352 3.62713751056618 adf.R=1.517 O -0.15309164292619 4.81746932755226 -1.53187935221237 adf.R=1.517 O -3.03260967263253 -2.81861741603428 -0.66153789937067 adf.R=1.517 H 9.728533735590419 -5.61907589672587 -3.81089606680634 adf.R=1.350 H 8.700553504345329 -4.52239372477009 -2.8638040665381 adf.R=1.350 H 9.41019786812986 -6.61559824778047 4.81720477270312 adf.R=1.350 H 10.20402344533791 -5.15953186863842 -2.16180703583655 adf.R=1.350 N 7.95371013281483 7.41432024495543 0.17873383322071 adf.R=1.608 C 7.50987112921426 6.86596900379211 1.54545958495211 adf.R=1.700 C 7.08973147644998 6.84929263751776 -0.94388193871086 adf.R=1.700 C 7.79458962829392 8.93951035515318 0.22916792561335 adf.R=1.700 C 9.436022501722309 7.01548338139804 0.03747398969555 adf.R=1.700 C 6.07445219152486 7.15510862949359 1.96680130228915 adf.R=1.700 H 8.22085406307059 7.29011516665541 2.26603158348991 adf.R=1.350 H 7.68445634787377 5.78512518133124 1.50150330806867 adf.R=1.350 C 6.98509448828716 5.32615084608629 -0.9806838924073 adf.R=1.700 H 7.51751904668739 7.22821864503501 -1.87842399701212 adf.R=1.350 H 6.10461825659517 7.31238959238254 -0.8202861902812 adf.R=1.350 C 8.349102920393371 9.75191941535558 -0.93649511752064 adf.R=1.700 H 8.27765041554715 9.248814404375519 1.16496612942148 adf.R=1.350 H 6.71764539495256 9.108778773656089 0.32977530620862 adf.R=1.350 C 10.02713174664544 6.93502613577048 -1.36801924706806 adf.R=1.700 H 9.52693006314686 6.03659096638151 0.5225001096730399 adf.R=1.350 H 9.982769262857801 7.73894287509656 0.6556688995984 adf.R=1.350 C 5.78284489590107 6.48746577119932 3.32193223549735 adf.R=1.700 H 5.36226785360596 6.77283545755145 1.21979550334577 adf.R=1.350 H 5.89953561343513 8.23566984164731 2.06223922872857 adf.R=1.350 C 6.33944632640359 4.83871408173565 -2.29140405733558 adf.R=1.700 H 6.3891822008353 4.96179760555045 -0.13101602884255 adf.R=1.350 H 7.98213401644313 4.87174710286289 -0.88850788716776 adf.R=1.350 C 7.95854740228769 11.23776614487896 -0.79328614793137 adf.R=1.700 H 7.97159703436731 9.377639703587009 -1.89959594327495 adf.R=1.350 H 9.44414503039105 9.681531364821311 -0.95704303844127 adf.R=1.350 C 11.52389485139475 6.59164813928964 -1.27585202126108 adf.R=1.700 H 9.90661203810064 7.87746337218924 -1.91656400235886 adf.R=1.350 H 9.522567234112991 6.1540266159175 -1.95462213165082 adf.R=1.350 C 4.35562127513054 6.76129060431028 3.80380945628776 adf.R=1.700 H 6.50452581155458 6.85465591632766 4.06925522493354 adf.R=1.350 H 5.9454579796265 5.40127780727258 3.23690530435591 adf.R=1.350 C 4.88278945001282 5.27734496625729 -2.48196207721096 adf.R=1.700 H 6.39158389764805 3.74001263561426 -2.29761339361808 adf.R=1.350 H 6.94766559805527 5.18123405385812 -3.14405426616428 adf.R=1.350 C 6.47149916425948 11.53213485988764 -1.02241165184385 adf.R=1.700 H 8.55417575305958 11.80476276216216 -1.52361688495909 adf.R=1.350 H 8.266263454494091 11.60129208362164 0.20060939684855 adf.R=1.350 C 12.17611406918084 6.466091102739 -2.65565025760498 adf.R=1.700 H 11.64705621277068 5.64826188553717 -0.7200868655743 adf.R=1.350 H 12.04053452062277 7.36825265121301 -0.68980065445072 adf.R=1.350 H 4.17039418216428 7.84102952904576 3.90223013438258 adf.R=1.350 H 4.17557733424566 6.29803763382826 4.78351125690114 adf.R=1.350 H 3.61550762162055 6.35498318841895 3.09915449324451 adf.R=1.350 H 4.78593618496465 6.36856910945653 -2.57292979516884 adf.R=1.350 H 4.25924035541455 4.95251894110382 -1.63592513030949 adf.R=1.350 H 4.46280034038757 4.83590264042492 -3.39623952348386 adf.R=1.350 H 6.27870027365638 12.61221396120331 -0.96328903704477 adf.R=1.350 H 5.82731842178139 11.04752816312584 -0.27521593890999 adf.R=1.350 H 6.15098266232415 11.18803390646976 -2.01713658774476 adf.R=1.350 H 13.24228966219359 6.21715105173951 -2.56426279621768 adf.R=1.350 H 12.09738933633338 7.40747491405357 -3.21910449317716 adf.R=1.350 H 11.6956283416298 5.67644746457602 -3.25173266003293 adf.R=1.350 N -6.32298999615434 -10.71667295889848 -2.30045422859045 adf.R=1.608 C -7.42548082072716 -11.67073802212709 -2.79007078228228 adf.R=1.700 C -6.9206278435439 -9.501711916374569 -1.59756605715581 adf.R=1.700 C -5.45060806168737 -11.50466784167149 -1.31419071666515 adf.R=1.700 C -5.52360192382063 -10.33172574622596 -3.56137536729487 adf.R=1.700 C -8.350832723448599 -12.25613484523436 -1.7297770306936 adf.R=1.700 H -6.89294449462203 -12.46787571296689 -3.3243737963631 adf.R=1.350 H -8.002118374812479 -11.10297689668574 -3.52874116059074 adf.R=1.350 C -7.97611654149285 -8.74262566993384 -2.39831671804349 adf.R=1.700 H -6.07804275801873 -8.846266869482619 -1.35166042040615 adf.R=1.350 H -7.33191190379171 -9.878338264518421 -0.65434952262327 adf.R=1.350 C -4.153466743485 -10.85953817290248 -0.83887457950973 adf.R=1.700 H -5.23083898801127 -12.45390723158742 -1.82035095856676 adf.R=1.350 H -6.10531400663016 -11.71624464899763 -0.46241757441256 adf.R=1.350 C -4.72010853775872 -9.03378705721723 -3.53337676290901 adf.R=1.700 H -6.25733525606445 -10.28325560199687 -4.37450345568199 adf.R=1.350 H -4.87412554960097 -11.19453995444876 -3.75752365382014 adf.R=1.350 C -9.42885596232146 -13.12297074952315 -2.40360292462931 adf.R=1.700 H -8.8420507395376 -11.45819900579432 -1.15270111005559 adf.R=1.350 H -7.79225089826494 -12.87832873621188 -1.0168113598454 adf.R=1.350 C -8.35082115052624 -7.41180830603286 -1.71860385029392 adf.R=1.700 H -8.884854852519361 -9.352330567800591 -2.51081576968458 adf.R=1.350 H -7.6070330875167 -8.530090120975339 -3.41175915304984 adf.R=1.350 C -3.46517034655798 -11.74333529357428 0.22247168970781 adf.R=1.700 H -4.33593112063416 -9.86317236415541 -0.41017118148581 adf.R=1.350 H -3.46289674347984 -10.73885997713387 -1.68308511158545 adf.R=1.350 C -3.90626173771601 -8.90730575017378 -4.83315197182381 adf.R=1.700 H -4.03712796920096 -8.99353359696291 -2.67589880557582 adf.R=1.350 H -5.39187003407946 -8.16720711769387 -3.45081354671792 adf.R=1.350 C -10.38716426688486 -13.75423858047455 -1.38927497762374 adf.R=1.700 H -8.93979155643267 -13.91417337100717 -2.99366203582962 adf.R=1.350 H -9.997460662084199 -12.50712232488767 -3.11856248820001 adf.R=1.350 C -9.0459654216623 -7.56750834334702 -0.3610715049586 adf.R=1.700 H -9.014598268656901 -6.86625578000218 -2.40539389314635 adf.R=1.350 H -7.44602401412477 -6.79269276906806 -1.60778558677541 adf.R=1.350 C -4.19414039491972 -11.81532157639515 1.56915824166667 adf.R=1.700 H -2.45606893337651 -11.33606237931705 0.38099732432391 adf.R=1.350 H -3.32491958789891 -12.75744261375487 -0.18509267179785 adf.R=1.350 C -3.11086488152077 -7.59999101884424 -4.89588074400206 adf.R=1.700 H -4.58700750497232 -8.96896093254241 -5.6973699082018 adf.R=1.350 H -3.21937722347525 -9.76480677175023 -4.91570481728452 adf.R=1.350 H -9.847330272797331 -14.40195136288547 -0.68297799184148 adf.R=1.350 H -11.14556845208563 -14.36723849875043 -1.89518001835735 adf.R=1.350 H -10.91158437817363 -12.98370274968255 -0.80516574755892 adf.R=1.350 H -8.39105871428016 -8.02993207775388 0.39099748572898 adf.R=1.350 H -9.949415122594861 -8.18937000489468 -0.44949717465287 adf.R=1.350 H -9.35149050532263 -6.5878779952803 0.03158373770265 adf.R=1.350 H -3.60984480132302 -12.40026995346519 2.29288970209064 adf.R=1.350 H -5.18020105526579 -12.29441830057741 1.4875267914546 adf.R=1.350 H -4.34204530992136 -10.81042101512873 1.99174241188999 adf.R=1.350 H -2.53361534310768 -7.53654202316815 -5.82841556126765 adf.R=1.350 H -2.40403182928199 -7.52513301612065 -4.05641879624841 adf.R=1.350 H -3.77803002140457 -6.72666323601263 -4.85232967402177 adf.R=1.350 N -6.83515277777648 8.24039463130949 1.93418346469043 adf.R=1.608 C -7.93614585111209 7.33087727355762 2.50618633363246 adf.R=1.700 C -7.02258634309386 9.68234743192702 2.39493123000554 adf.R=1.700 C -5.4933829683302 7.70564757861044 2.45260486671076 adf.R=1.700 C -6.93561189588247 8.095935255663299 0.40219859232676 adf.R=1.700 C -8.04536081961778 7.25895494224005 4.02473335834393 adf.R=1.700 H -7.73471234125442 6.33924561144068 2.08166107161551 adf.R=1.350 H -8.87505901350219 7.6936781167152 2.07332934587023 adf.R=1.350 C -8.403309355400459 10.27682682096938 2.12624224787349 adf.R=1.700 H -6.24723047887123 10.26827512648943 1.88974283643514 adf.R=1.350 H -6.7912884665673 9.68313354241841 3.46598091639423 adf.R=1.350 C -4.21557388665573 8.306740075757039 1.87641670002558 adf.R=1.700 H -5.52052565809914 6.62579715467406 2.25813621807588 adf.R=1.350 H -5.52766895782945 7.85741395791524 3.53639319930955 adf.R=1.350 C -6.36570732713215 9.21791338827272 -0.46220794215411 adf.R=1.700 H -8.004095698298579 7.98195793733392 0.18532931480505 adf.R=1.350 H -6.45179083376331 7.13703702491021 0.17668508755264 adf.R=1.350 C -9.23466887239401 6.36739857083163 4.42163282016001 adf.R=1.700 H -8.192076068273209 8.261102167769019 4.4546762608006 adf.R=1.350 H -7.12970451920169 6.84396906865526 4.4685103785152 adf.R=1.350 C -8.428534969734629 11.79133580524113 2.4070051756985 adf.R=1.700 H -9.162144765472281 9.78605668436342 2.75321448055021 adf.R=1.350 H -8.69538486310106 10.10654506293482 1.08018085320248 adf.R=1.350 C -2.97893160959493 7.77355355086403 2.63066142934747 adf.R=1.700 H -4.22543806680738 9.40446499472279 1.94640039839788 adf.R=1.350 H -4.11786157772656 8.04095466655175 0.81624234312321 adf.R=1.350 C -6.49785477799032 8.840055814253271 -1.94763735007222 adf.R=1.700 H -5.31124582758209 9.41526507342445 -0.2327751302237 adf.R=1.350 H -6.91434384298949 10.1547911109509 -0.28768240428379 adf.R=1.350 C -9.394778453259841 6.25771605156454 5.94094519871653 adf.R=1.700 H -9.095422532157439 5.36405010642835 3.98925240039358 adf.R=1.350 H -10.15867668928087 6.77320257392057 3.97950808752264 adf.R=1.350 C -8.214444969939001 12.1672966886521 3.87800300280882 adf.R=1.700 H -9.4049773968284 12.17301849723942 2.07409870445093 adf.R=1.350 H -7.67259246505677 12.28996797794829 1.77928961992903 adf.R=1.350 C -2.82228534659807 8.31180550973429 4.05723819452301 adf.R=1.700 H -2.09231723718804 8.05028089803842 2.04210738711081 adf.R=1.350 H -3.00367314659482 6.67197662411765 2.6451869352682 adf.R=1.350 C -6.00032367510954 9.952435398289911 -2.87536595825169 adf.R=1.700 H -7.55255956478262 8.614218734074241 -2.17316231798466 adf.R=1.350 H -5.93270568984762 7.9140240194151 -2.13979752843082 adf.R=1.350 H -8.495390221882911 5.82559215573125 6.40409457720597 adf.R=1.350 H -10.24838721319856 5.61674480749931 6.20083136456959 adf.R=1.350 H -9.565055115933561 7.24545247581353 6.3939674497517 adf.R=1.350 H -7.21338120100766 11.88889947306124 4.23714431941324 adf.R=1.350 H -8.954763813655051 11.67152288668642 4.5234816924543 adf.R=1.350 H -8.32075508094659 13.25173042212855 4.01918077916221 adf.R=1.350 H -1.8976914033297 7.93207934634564 4.51341982554258 adf.R=1.350 H -3.65257102726916 8.01205917008016 4.7125595253581 adf.R=1.350 H -2.77112465735872 9.410853120004271 4.06016487402237 adf.R=1.350 H -6.10639900146537 9.66139478481719 -3.9294416744532 adf.R=1.350 H -4.93903785381073 10.17690377024664 -2.69276184568751 adf.R=1.350 H -6.57141276474937 10.88045380307768 -2.72344121660639 adf.R=1.350 N 6.68068517972182 -7.57084759539583 1.07123924628147 adf.R=1.608 C 5.50056296798158 -8.55741111197521 1.06019996803084 adf.R=1.700 C 6.22926320280515 -6.18404802256405 1.52137862862698 adf.R=1.700 C 7.71933145107371 -8.11902167796692 2.05850443479686 adf.R=1.700 C 7.23130568087532 -7.57262481629596 -0.36938519351059 adf.R=1.700 C 4.78884218809653 -8.788281921118189 2.38833578240399 adf.R=1.700 H 5.91682456684438 -9.495382002594249 0.67124932189302 adf.R=1.350 H 4.79910250326762 -8.169039612072099 0.31337358218989 adf.R=1.350 C 5.04401291085851 -5.60562802872913 0.75150714955308 adf.R=1.700 H 7.10428281759283 -5.53170301541944 1.42797764561651 adf.R=1.350 H 6.00180064311659 -6.27967590594683 2.58875468048417 adf.R=1.350 C 9.07662570825717 -7.42651936443637 2.11671273727007 adf.R=1.700 H 7.8487421194877 -9.17410386125 1.78425692143368 adf.R=1.350 H 7.2293868700221 -8.07898687835279 3.03704581752481 adf.R=1.350 C 8.02888725273395 -6.35689154729629 -0.83489779896554 adf.R=1.700 H 6.35854135992923 -7.70136047684482 -1.02007821417939 adf.R=1.350 H 7.83070086078636 -8.489331433691371 -0.44015614081572 adf.R=1.350 C 3.55614113083282 -9.68401854992451 2.17592082792796 adf.R=1.700 H 4.46051397382995 -7.83451156525557 2.82797602116726 adf.R=1.350 H 5.45706401242555 -9.26949440710864 3.11576951807474 adf.R=1.350 C 4.79385113384429 -4.13120798314948 1.12114761009699 adf.R=1.700 H 4.13056363864567 -6.18147255992967 0.96231138209569 adf.R=1.350 H 5.22207004173466 -5.67545311370351 -0.33116909773413 adf.R=1.350 C 9.94552926049702 -8.02861596875473 3.24045306090524 adf.R=1.700 H 8.9662188384868 -6.34630971007192 2.29303864896714 adf.R=1.350 H 9.6067049197815 -7.5572253378448 1.16472315722759 adf.R=1.350 C 8.577036940006961 -6.61454098285907 -2.24929567457085 adf.R=1.700 H 8.86467400130082 -6.13319877887828 -0.16041317760826 adf.R=1.350 H 7.38857584283557 -5.46370633645365 -0.86120525429969 adf.R=1.350 C 2.80299225962713 -9.948814002411501 3.48303529126455 adf.R=1.700 H 3.87149762327333 -10.6390991174896 1.72703818537359 adf.R=1.350 H 2.88087286685934 -9.204907284447369 1.44936811542908 adf.R=1.350 C 4.34413606874811 -3.91016683075455 2.5702639537028 adf.R=1.700 H 4.0193220964356 -3.74922690530911 0.4401787923749 adf.R=1.350 H 5.70279623495513 -3.54326115340603 0.91474680569014 adf.R=1.350 C 9.47127322939815 -7.70294302172967 4.66146372641271 adf.R=1.700 H 10.9669117860204 -7.6443139387741 3.1045328234359 adf.R=1.350 H 10.00885051824731 -9.12046221889555 3.10510626602181 adf.R=1.350 C 9.34588972353076 -5.41092912010366 -2.80246087535098 adf.R=1.700 H 7.74213126117225 -6.86284953810832 -2.9241388622772 adf.R=1.350 H 9.23449509338856 -7.49811745799342 -2.22863936141537 adf.R=1.350 H 3.44175881030062 -10.46949117438912 4.21140372892103 adf.R=1.350 H 1.91451956805888 -10.57119102112431 3.30858306792321 adf.R=1.350 H 2.46742954955483 -9.00769428438131 3.94299014992541 adf.R=1.350 H 5.12792338051572 -4.17479928221915 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A -67.59093423 -1839.243880 0 0.00000610080914 0.00579284717805 0.01397803597248 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 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-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 11 40 33 34 25 32 31 26 39 21 22 27 28 42 24 35 12 36 41 29 30 23 16 O O O O O O O O O O O O O O O O O O O O O O O -26.114 2.00 460 A 18.64 18.51 18.22 17.93 2.19 2.07 1.97 1.66 1.49 1.39 1.22 1.16 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 21 23 22 24 42 13 17 41 20 16 40 39 O O O O O O O O O O O O -26.111 2.00 461 A 18.47 18.43 18.36 18.25 2.33 2.28 1.86 1.84 1.34 1.33 1.31 1.29 1.18 1.14 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 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S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 14 13 16 15 18 17 20 19 O O O O O O O O -26.004 2.00 465 A 31.74 11.87 7.57 5.68 5.50 4.92 3.11 2.94 2.55 2.36 2.29 2.23 2.06 1.88 1.39 1.35 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 42 40 35 33 34 22 23 26 31 36 32 27 41 25 39 28 O O O O O O O O O O O O O O O O -25.994 2.00 466 A 32.20 26.31 8.00 6.79 4.30 4.25 1.59 1.51 1.32 1.13 2 2 2 2 2 2 2 2 2 3 S S S S S S S S S D:x2-y2 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 41 40 42 35 34 33 26 39 23 7 O O O O O O O O O W -25.991 2.00 467 A 42.53 32.85 4.79 2.59 1.99 1.51 1.25 1.00 2 2 2 2 2 3 3 3 S S S S S D:x2-y2 D:xy D:x2-y2 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -4.382 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 36 35 33 40 30 4 4 3 O O O O O W W W -25.975 2.00 468 A 27.85 15.44 9.91 4.37 4.07 4.06 4.00 3.83 3.82 3.68 3.03 1.40 1.36 1.30 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 41 40 36 26 21 32 31 24 25 39 35 33 29 28 O O O O O O O O O O O O O O -25.965 2.00 469 A 39.89 39.56 1.79 1.73 1.49 1.49 1.30 1.19 1.15 1.13 1.03 1.03 2 2 2 2 2 3 2 3 2 3 3 2 S S S S S D:x2-y2 S D:xy S D:x2-y2 D:xy S -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -4.382 -27.198 -4.382 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 0.80 0.80 2.00 34 33 28 27 36 1 35 2 30 2 1 29 O O O O O W O W O W W O -25.950 2.00 470 A 57.96 12.07 7.29 1.93 1.83 1.80 1.59 1.51 1.48 1.44 1.29 1.23 2 2 2 3 2 2 3 2 2 3 2 2 S S S D:x2-y2 S S D:xy S S D:z2 S S -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -4.382 -27.198 -27.198 -4.382 -27.198 -27.198 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 39 34 33 5 40 25 5 32 31 5 23 22 O O O W O O W O O W O O -25.852 2.00 471 A 49.17 20.15 4.25 3.41 3.03 2.67 2.08 1.80 1.64 1.58 1.19 1.11 2 2 3 2 2 2 2 2 3 2 2 2 S S D:z2 S S S S S D:z2 S S S -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 38 37 10 41 36 35 42 39 9 12 34 33 O O W O O O O O W O O O -25.833 2.00 472 A 47.82 18.40 4.26 3.92 2.78 2.57 1.77 1.73 1.26 1.20 1.13 1.10 1.02 2 2 3 2 2 2 2 3 2 2 2 2 2 S S D:z2 S S S S D:z2 S S S S S -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 37 38 9 39 34 33 40 10 22 41 11 36 27 O O W O O O O W O O O O O -25.797 2.00 473 A 17.39 17.18 17.11 15.39 14.71 13.35 2 2 2 2 2 2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 23 25 21 22 24 26 O O O O O O -25.793 2.00 474 A 16.83 16.52 16.07 16.02 15.40 14.49 2 2 2 2 2 2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 28 30 27 32 29 31 O O O O O O -25.383 2.00 475 A 50.54 14.39 6.61 6.46 6.23 5.89 2.18 2 2 2 2 2 2 2 S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 12 38 41 36 35 42 11 O O O O O O O -25.364 2.00 476 A 50.53 13.68 6.83 6.55 6.50 6.12 2.32 2 2 2 2 2 2 2 S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 11 37 39 34 33 40 12 O O O O O O O -23.124 2.00 477 A 13.29 9.18 7.71 7.60 7.53 4.94 4.89 4.14 4.04 4.01 2.54 2.42 2.24 2.16 1.99 -1.88 1.81 -1.65 1.54 1.36 1.34 1.28 1.26 1.26 1.24 1.20 -1.16 -1.13 1.11 1.02 2 2 2 2 2 1 2 2 2 2 1 2 1 1 2 2 1 2 1 1 1 1 2 2 1 1 2 2 1 2 S S S S S P:x S S S S S S S S S P:x S P:x S S S S S S S S P:x P:x S S -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -15.871 5.519 -6.581 5.519 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 5.519 5.519 -6.581 -15.871 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 2.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 0.00 0.00 1.00 2.00 211 207 215 213 214 188 210 209 218 217 91 212 92 84 219 209 96 207 95 100 97 83 216 208 90 99 208 210 98 222 C C C C C N C C C C H C H H C C H C H H H H C C H H C C H C -23.121 2.00 478 A 13.57 9.38 8.62 7.79 6.78 5.50 4.72 4.57 3.56 3.51 2.56 2.33 2.13 2.02 1.94 -1.83 1.67 1.51 -1.43 1.39 1.36 1.33 1.33 1.31 1.21 1.20 -1.08 -1.05 1.03 2 2 2 2 2 2 2 1 2 2 1 1 1 2 2 2 1 1 2 1 1 1 1 1 1 2 2 2 2 S S S S S S S P:x S S S S S S S P:x S S P:x S S S S S S S P:x P:x S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -15.871 5.519 -6.581 -6.581 5.519 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 5.519 5.519 -15.871 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 2.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 0.00 2.00 243 239 246 247 245 242 250 190 249 241 163 164 156 251 244 241 168 169 239 167 172 162 155 170 171 254 242 240 240 C C C C C C C N C C H H H C C C H H C H H H H H H C C C C -23.108 2.00 479 A 11.57 8.18 8.16 7.78 6.51 4.98 4.53 4.40 4.32 3.27 2.63 2.32 2.00 1.92 1.90 1.84 1.72 1.67 1.66 1.63 1.38 1.31 -1.19 1.16 1.11 1.10 1.10 1.09 1.00 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 2 2 1 2 1 1 1 2 1 2 1 2 1 1 S S S S S S S S S S P:x S S S S S S P:y S S S S P:x S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 5.519 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 0.00 1.00 2.00 1.00 2.00 1.00 1.00 195 191 197 198 199 194 193 201 202 196 187 55 48 60 56 192 200 187 203 59 61 54 191 64 206 62 205 47 63 C C C C C C C C C C N H H H H C C N C H H H C H C H C H H -23.104 2.00 480 A 12.84 8.75 8.03 7.33 6.99 5.32 4.35 3.95 3.53 3.00 2.98 2.52 2.20 2.15 2.06 1.88 1.70 1.63 1.61 1.43 1.41 -1.37 1.33 1.30 -1.22 1.19 1.16 1.13 1.10 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 2 1 2 2 1 1 2 1 1 2 1 1 1 2 S S S S S S S S S S P:x S P:z S S S S S S S S P:x S S P:z S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -7.353 -6.581 -6.581 -15.871 -6.581 -15.871 -15.871 -6.581 -6.581 5.519 -6.581 -6.581 5.519 -6.581 -6.581 -6.581 -15.871 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 2.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 2.00 227 223 230 231 229 226 234 225 233 228 189 127 189 128 120 235 132 232 224 131 133 225 126 136 223 119 134 135 238 C C C C C C C C C C N H N H H C H C C H H C H H C H H H C -23.096 2.00 481 A 11.43 7.89 7.65 7.20 6.42 5.74 5.10 4.55 3.76 3.24 3.24 2.39 2.31 2.24 2.06 1.77 1.71 1.63 1.46 1.38 1.36 -1.34 1.26 1.24 -1.12 1.07 -1.05 1.00 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 1 1 1 2 2 1 1 2 1 2 1 S S S S S S S P:y S S S S S S S S S S S S S P:y S S P:y S P:y S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 5.519 -6.581 -6.581 5.519 -6.581 5.519 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 2.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 212 209 213 208 216 214 217 188 211 210 218 87 94 207 215 93 220 88 85 98 221 208 101 102 210 95 207 96 C C C C C C C N C C C H H C C H C H H H C C H H C H C H -23.087 2.00 482 A 9.56 7.89 7.67 7.60 5.88 5.31 5.13 4.51 4.43 3.77 3.19 2.29 2.25 2.02 1.98 1.87 1.78 1.73 1.47 -1.47 1.40 1.38 1.28 1.23 1.14 1.12 1.08 1.04 1.04 2 2 2 2 2 2 2 2 2 2 1 1 2 1 2 1 1 1 1 2 2 2 1 1 2 1 1 1 1 S S S S S S S S S S P:y S S S S P:z S S S P:y S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -6.581 -15.871 -7.353 -6.581 -6.581 -6.581 5.519 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 196 193 198 197 192 200 201 202 194 195 187 51 191 58 199 187 52 62 57 192 204 205 53 49 206 61 66 65 59 C C C C C C C C C C N H C H C N H H H C C C H H C H H H H -23.086 2.00 483 A 10.00 9.74 9.39 6.45 6.29 6.13 5.40 3.69 3.67 2.95 2.61 2.49 2.15 1.95 1.94 1.73 1.61 1.42 1.41 1.40 1.35 1.31 1.31 1.17 1.16 1.16 1.15 1.09 1.06 2 2 2 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 1 S S S S S S S S S P:y S S S P:z S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -6.581 -7.353 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 244 245 241 249 246 240 248 250 242 190 159 243 166 190 160 253 165 170 167 252 239 168 247 157 176 175 161 174 173 C C C C C C C C C N H C H N H C H H H C C H C H H H H H H -23.083 2.00 484 A 12.43 7.77 7.35 7.17 6.67 5.56 4.30 3.87 3.39 3.12 3.01 2.50 2.46 2.26 2.10 1.93 1.92 1.61 1.58 1.40 1.40 1.38 1.15 1.15 -1.02 2 2 2 2 2 2 2 2 1 2 2 1 2 1 2 2 1 1 1 1 1 1 1 2 2 S S S S S S S S P:y S S S S S S S S S S S S S P:z S P:y -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -15.871 5.519 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 228 224 225 232 229 230 233 227 189 234 226 130 223 123 231 236 129 124 121 137 134 138 189 237 224 C C C C C C C C N C C H C H C C H H H H H H N C C -22.945 2.00 485 A 8.97 8.45 7.23 7.14 6.72 6.34 5.38 3.76 3.62 3.08 2.92 2.82 2.35 1.95 1.92 1.81 1.65 1.62 1.61 1.27 1.22 1.11 1.09 1.04 1.01 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 1 1 1 1 1 2 1 1 S S S S S S S P:z S S S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 212 214 210 208 216 218 213 188 217 209 207 211 215 220 86 89 222 90 85 101 93 105 221 94 106 C C C C C C C N C C C C C C H H C H H H H H C H H -22.938 2.00 486 A 10.10 7.94 7.42 6.64 5.94 5.20 5.06 3.83 3.81 3.38 2.99 2.67 2.18 2.13 1.92 1.90 1.88 1.53 1.40 1.39 1.38 1.36 1.23 1.23 1.10 1.01 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 S S S S S S S S S S S S P:z S S S P:x S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 196 192 200 198 194 202 197 195 191 201 199 193 187 204 50 49 187 53 54 65 206 57 47 58 66 205 C C C C C C C C C C C C N C H H N H H H C H H H H C -22.937 2.00 487 A 10.70 8.43 7.69 7.13 6.21 5.54 4.17 3.70 3.55 2.98 2.78 2.31 2.18 2.16 2.06 2.05 1.91 1.55 1.49 1.47 1.46 1.46 1.36 1.19 1.18 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 S S S S S S S S S S S P:z S S S P:y S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 244 240 248 246 242 250 245 243 239 247 249 190 241 252 158 190 157 161 162 173 254 165 166 174 155 C C C C C C C C C C C N C C H N H H H H C H H H H -22.931 2.00 488 A 8.24 7.78 7.08 6.55 6.25 6.19 6.01 4.19 3.91 3.19 3.08 2.51 1.84 1.75 1.73 1.64 1.64 1.62 1.53 1.51 1.25 1.20 1.18 1.14 1.12 1.09 1.02 1.01 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S P:z P:y S S S S S S S P:x S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -15.871 -6.581 -7.353 -7.353 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 230 228 226 229 224 234 232 233 225 223 227 231 125 236 122 189 189 238 126 121 237 131 124 137 189 141 119 129 C C C C C C C C C C C C H C H N N C H H C H H H N H H H -22.528 2.00 489 A 9.38 8.35 7.26 7.15 6.77 6.51 4.80 4.36 3.35 3.13 2.57 2.49 1.74 1.73 1.71 1.66 1.61 1.54 1.38 1.36 1.36 1.34 1.30 1.28 1.27 1.08 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 215 211 217 218 213 214 216 212 219 188 221 222 100 220 99 92 91 96 95 103 105 98 97 106 104 93 C C C C C C C C C N C C H C H H H H H H H H H H H H -22.523 2.00 490 A 9.45 8.46 7.26 6.96 6.69 6.19 4.90 4.64 3.37 3.13 2.58 2.46 1.75 1.72 1.71 1.68 1.64 1.51 1.38 1.38 1.32 1.28 1.28 1.25 1.25 1.15 1.00 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 247 243 249 250 245 246 248 244 251 190 253 254 172 171 252 164 163 168 175 167 177 170 176 169 178 165 174 C C C C C C C C C N C C H H C H H H H H H H H H H H H -22.514 2.00 491 A 9.76 9.10 7.15 6.97 6.55 6.07 4.69 4.27 3.41 3.13 2.55 2.49 1.80 1.79 1.79 1.78 1.68 1.47 1.35 1.33 1.32 1.25 1.25 1.24 1.22 1.06 1.01 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 199 195 201 202 197 198 200 196 203 187 205 206 55 64 63 56 204 60 67 59 69 62 68 70 61 57 191 C C C C C C C C C N C C H H H H C H H H H H H H H H C -22.504 2.00 492 A 9.39 8.48 7.36 7.24 7.12 6.41 4.52 3.94 3.34 3.14 2.61 2.51 1.73 1.70 1.69 1.67 1.65 1.65 1.50 1.43 1.35 1.33 1.29 1.25 1.11 1.08 1.07 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S S S S S S S S P:z S P:x -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 231 227 233 229 234 230 232 228 235 189 237 238 136 135 128 132 127 236 131 139 141 134 133 142 226 140 225 C C C C C C C C C N C C H H H H H C H H H H H H C H C -21.116 2.00 493 A 9.47 8.23 7.27 6.53 5.80 4.86 4.05 3.49 3.15 2.59 2.58 2.58 2.51 2.48 2.45 2.27 2.16 2.05 1.90 1.80 1.53 1.53 1.47 1.39 1.15 1.13 1 2 2 2 2 2 2 2 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 P:z S S S S S S S S P:y S S S S S S S S S S S S S S S S -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 1.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 188 208 216 220 210 207 222 218 219 188 215 86 89 85 217 83 221 90 101 112 84 111 209 102 110 116 N C C C C C C C C N C H H H C H C H H H H H C H H H -21.107 2.00 494 A 7.94 7.80 6.28 6.19 5.33 5.25 4.55 3.74 3.72 3.60 3.34 3.17 2.62 2.44 2.27 1.91 1.88 1.77 1.74 1.54 1.41 1.38 1.35 1.34 1.19 1.14 1.07 1.04 1.01 1 2 2 2 2 2 2 2 1 2 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 P:z S S S S S S S P:y S S S S S S S S S S S S S S S S S S S S -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 1.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 190 242 240 254 248 250 252 249 190 239 253 161 241 162 158 251 157 155 43 247 173 44 156 46 184 160 183 174 178 N C C C C C C C N C C H C H H C H H H C H H H H H H H H H -21.107 2.00 495 A 8.85 7.31 6.58 6.48 6.18 5.56 4.84 3.93 3.38 3.18 2.80 2.79 2.61 2.38 2.27 2.05 1.78 1.63 1.59 1.47 1.44 1.43 1.34 1.18 1.15 1.14 1.10 1.08 1.08 1.03 2 2 1 2 2 2 2 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 S S P:x S S S S P:z S S S S S S S S S S S S P:y S S S S S S S S S -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 1.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 194 206 187 192 202 200 204 187 53 201 205 54 191 50 193 80 49 82 81 65 187 47 76 70 203 52 75 69 66 48 C C N C C C C N H C C H C H C H H H H H N H H H C H H H H H -21.104 2.00 496 A 9.57 8.83 8.09 7.09 5.85 4.15 4.06 3.49 3.37 2.86 2.74 2.54 2.37 2.29 2.24 2.20 2.13 2.09 1.90 1.69 1.60 1.47 1.44 1.22 1.21 1.13 2 2 2 1 2 2 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 S S S P:y S S S S P:z S S S S S S S S S S S P:x S S S S S -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -7.353 -15.871 -6.581 -15.871 -6.581 -6.581 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 224 232 236 189 226 223 238 234 189 122 121 235 125 137 148 126 231 119 147 138 189 233 146 237 120 152 C C C N C C C C N H H C H H H H C H H H N C H C H H -21.044 2.00 497 A 10.08 8.56 7.24 7.06 5.91 5.81 4.82 2.83 2.82 2.28 2.28 2.04 1.94 1.92 1.73 1.69 1.69 1.64 1.64 1.63 1.62 1.54 1.41 1.26 1.22 1.17 1.14 1.09 1.08 1.07 2 2 2 2 2 1 2 1 2 1 1 1 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 S S S S S P:y S S S S S S S S S S S P:z S S S S S S S S S S S P:x -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -15.871 -15.871 -6.581 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 222 218 219 210 215 188 207 116 209 118 117 108 220 216 217 106 107 188 221 109 89 105 208 83 90 88 100 99 87 211 C C C C C N C H C H H H C C C H H N C H H H C H H H H H H C -21.042 2.00 498 A 9.88 8.38 8.10 7.51 6.97 5.34 4.77 2.79 2.41 2.36 2.31 2.29 2.28 2.25 2.06 2.06 1.91 1.91 1.54 1.51 1.37 1.27 1.25 1.22 -1.16 1.14 1.11 1.10 -1.07 2 2 2 2 2 2 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 S S S S S S P:y S S S P:z S S S S S S S S S S S S P:x P:x S P:x S P:z -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 5.519 -6.581 -7.353 -6.581 5.519 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.67 0.00 1.00 1.00 1.00 0.00 251 254 247 239 250 242 190 180 248 43 190 252 179 181 155 240 46 44 172 171 178 177 241 243 243 156 190 157 246 C C C C C C N H C H N C H H H C H H H H H H C C C H N H C -21.028 2.00 499 A 8.17 6.97 6.74 6.30 6.06 5.55 4.43 4.31 4.03 3.73 2.33 2.28 1.94 1.93 1.91 1.74 1.54 1.54 1.52 1.42 1.35 1.28 1.20 1.18 1.15 1.11 1.11 1.10 -1.09 1.08 1.04 2 2 2 2 1 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 S S S S P:z S S S S S S S S S S S S S S P:y S S S S S S S S P:x P:x S -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 5.519 -7.353 -6.581 2.00 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 0.00 1.00 1.00 203 199 206 191 187 202 200 204 194 192 72 193 47 71 80 73 82 81 49 187 64 63 76 201 205 51 70 65 198 187 75 C C C C N C C C C C H C H H H H H H H N H H H C C H H H C N H -21.028 2.00 500 A 10.41 8.76 7.36 6.66 5.59 5.43 4.35 3.00 2.93 2.85 2.37 2.35 2.03 1.88 1.87 1.87 1.82 -1.82 1.75 1.71 1.57 1.56 1.56 1.50 1.32 1.28 1.23 1.16 1.09 1.08 1.03 2 2 2 2 2 1 2 2 1 1 1 1 2 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 S S S S S P:z S S S P:y S S S S S S S P:z S S S S P:z S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -7.353 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -15.871 5.519 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 2.00 0.00 1.00 1.00 1.00 1.00 0.67 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 238 234 226 235 231 189 223 225 152 189 154 153 233 236 144 237 232 230 125 142 141 143 230 145 224 126 124 119 123 136 135 C C C C C N C C H N H H C C H C C C H H H H C H C H H H H H H -20.992 2.00 501 A 9.77 9.19 7.99 6.93 5.67 5.53 4.14 3.60 3.47 3.19 2.66 2.39 2.36 2.34 1.83 1.75 1.71 1.56 1.36 1.35 1.21 1.11 1.08 1.06 -1.02 2 2 2 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 S S S P:x S S S S S S S S S S S S S S S S S S S P:y P:z -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 5.519 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 221 217 209 188 220 216 219 207 208 215 113 87 103 115 114 104 84 112 111 101 108 110 102 188 213 C C C N C C C C C C H H H H H H H H H H H H H N C -20.982 2.00 502 A 9.86 9.16 8.51 7.24 7.08 6.54 4.70 2.72 2.70 2.55 2.37 2.35 2.20 1.99 1.84 1.84 1.82 1.78 1.74 1.72 1.43 1.37 1.26 1.18 -1.10 2 2 2 2 2 1 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 S S S S S P:x S S S S S S S S S P:y S S S S S S S P:x P:y -15.871 -15.871 -15.871 -15.871 -15.871 -7.353 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 5.519 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.00 253 249 241 248 252 190 240 159 185 251 45 175 239 247 186 190 184 173 176 183 174 182 156 245 244 C C C C C N C H H C H H C C H N H H H H H H H C C -20.977 2.00 503 A 9.69 8.98 7.82 6.20 4.85 4.82 4.80 4.22 3.90 2.88 2.65 2.32 2.30 2.29 1.92 1.88 1.83 1.71 1.40 1.35 1.34 -1.29 1.18 1.18 1.13 1.09 1.07 2 2 2 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 S S S P:y S S S S S S S S S S P:x S S S S S P:y P:y S S S S S -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 5.519 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.00 2.00 1.00 1.00 1.00 1.00 205 201 193 187 204 200 203 191 199 192 77 79 67 51 187 48 78 68 72 76 197 197 206 65 75 71 73 C C C N C C C C C C H H H H N H H H H H C C C H H H H -20.967 2.00 504 A 10.49 10.12 8.28 7.20 5.23 4.78 4.28 4.07 4.03 2.75 2.65 2.57 2.32 2.27 2.11 2.04 1.90 1.67 1.51 -1.40 1.22 1.19 1.16 1.03 2 2 2 1 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 S S S P:x S S S S S S S S S S S S P:x S S P:x S S S S -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 5.519 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 1.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 1.00 1.00 0.00 1.00 1.00 1.00 1.00 237 233 225 189 235 223 236 231 232 149 139 151 224 123 120 150 229 140 144 229 145 148 143 147 C C C N C C C C C H H H C H H H C H H C H H H H -20.014 2.00 505 A 6.99 6.96 5.99 4.56 4.23 4.05 3.90 3.35 2.52 2.43 2.42 2.03 1.87 1.85 1.83 1.81 1.67 1.66 1.59 1.59 1.58 1.53 1.51 1.44 1.23 1.19 1.18 1.14 1.13 1.12 1.12 1.10 1.08 1.05 1.04 1.04 1.04 2 2 2 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 2 1 1 2 S S S S S S S S S S S S S S S S S S S S S S P:z S S S S S S P:x S S P:x S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -5.048 -15.871 -6.581 -6.581 -15.871 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 0.67 2.00 2.00 2.00 1.00 1.00 2.00 0.67 1.00 1.00 0.67 2.00 1.00 1.00 2.00 219 221 222 220 213 188 211 214 212 108 113 116 207 115 109 107 209 96 112 114 117 118 217 217 210 215 111 95 218 215 94 97 207 208 91 110 216 C C C C C N C C C H H H C H H H C H H H H H C C C C H H C C H H C C H H C -20.005 2.00 506 A 7.09 6.86 6.01 4.48 4.20 4.05 3.96 3.47 2.47 2.39 2.35 2.04 1.92 1.86 1.83 1.82 1.66 1.60 1.59 1.57 1.55 1.54 1.51 1.39 1.23 1.16 1.16 1.15 1.15 1.14 1.14 1.06 1.05 1.04 1.03 1.02 2 2 2 2 2 2 2 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 1 S S S S S S S S S S S S S S S S S S S S P:z S S S S S S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 0.67 1.00 1.00 2.00 2.00 1.00 2.00 2.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 251 253 254 252 245 190 243 246 180 185 244 43 239 181 179 45 168 241 46 186 249 44 184 249 247 183 248 240 167 169 242 250 163 166 170 182 C C C C C N C C H H C H C H H H H C H H C H H C C H C C H H C C H H H H -19.996 2.00 507 A 7.08 6.88 5.88 4.52 4.21 4.06 3.82 3.44 2.50 2.49 2.41 2.09 2.01 1.86 1.83 1.75 1.65 1.62 1.60 1.57 1.56 1.50 1.38 1.36 1.16 1.14 1.13 1.12 1.11 1.10 1.07 1.06 1.04 1.01 1.00 2 2 2 2 2 2 2 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 2 2 1 S S S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S S S S -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -15.871 -6.581 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 0.67 1.00 1.00 1.00 2.00 1.00 2.00 1.00 2.00 2.00 1.00 203 205 206 204 197 187 195 198 72 196 77 191 80 71 79 73 60 193 76 78 81 82 201 199 199 75 59 61 194 58 200 74 192 202 62 C C C C C N C C H C H C H H H H H C H H H H C C C H H H C H C H C C H -19.991 2.00 508 A 7.11 6.97 5.98 4.50 4.10 4.07 3.82 3.37 2.58 2.42 2.40 2.03 1.91 1.90 1.84 1.82 1.80 1.65 1.59 1.59 1.57 1.56 1.53 1.32 1.24 1.20 1.20 1.17 1.14 1.12 1.11 1.09 1.09 1.08 1.04 1.02 1.01 2 2 2 2 2 2 2 2 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 S S S S S S S S S S S S S S S S S S S S S S S P:z S S P:z S S S P:z S P:z S S S P:z -15.871 -15.871 -15.871 -15.871 -15.871 -21.259 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -5.048 -15.871 -15.871 -5.048 -6.581 -6.581 -6.581 -5.048 -15.871 -5.048 -6.581 -6.581 -6.581 -5.048 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.67 2.00 2.00 0.67 1.00 1.00 1.00 0.67 2.00 0.67 1.00 1.00 1.00 0.67 237 235 238 236 229 189 227 230 228 144 149 152 151 223 225 145 143 150 233 148 153 132 154 231 231 226 234 147 130 133 223 234 226 131 146 127 233 C C C C C N C C C H H H H C C H H H C H H H H C C C C H H H C C C H H H C -19.111 2.00 509 A 9.02 8.09 7.60 4.27 3.99 3.77 3.75 3.30 3.01 3.00 2.94 2.41 2.33 2.27 2.17 1.88 1.54 1.54 1.52 1.44 1.35 1.34 1.32 1.28 1.16 1.15 1.14 1.13 1.13 1.08 1.08 -1.04 1.03 2 2 1 2 1 2 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 S S P:z S S S S S S S S S P:z S S S P:y S S S S P:y S S P:z S P:x S S S S P:z S -15.871 -15.871 -7.353 -15.871 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -5.048 -15.871 -6.581 -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 5.519 -6.581 2.00 2.00 1.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 0.67 2.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.00 1.00 212 220 188 214 94 211 222 112 93 110 219 111 216 221 86 213 188 208 116 92 91 210 97 85 207 108 208 117 118 98 84 216 83 C C N C H C C H H H C H C C H C N C H H H C H H C H C H H H H C H -19.099 2.00 510 A 9.47 8.56 4.45 4.21 4.19 3.69 3.67 3.52 3.19 3.14 2.90 2.69 2.56 2.24 2.14 2.00 1.97 1.90 1.74 1.65 1.56 1.54 1.49 1.37 1.35 1.32 1.31 1.27 1.13 1.11 1.11 1.07 2 2 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 S S P:y S S S S S S S S P:z S S P:x P:z P:x S P:y S S P:z S S S S S P:z S S S S -15.871 -15.871 -7.353 -15.871 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -7.353 -6.581 -6.581 -5.048 -5.048 -7.353 -15.871 -5.048 -15.871 -15.871 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 2.00 2.00 1.00 2.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 0.67 1.00 2.00 0.67 2.00 2.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 228 236 189 230 130 238 227 148 146 129 235 189 147 122 224 223 189 237 232 224 229 232 152 128 121 127 133 234 144 153 154 134 C C N C H C C H H H C N H H C C N C C C C C H H H H H C H H H H -19.096 2.00 511 A 8.94 7.99 4.47 4.11 4.01 3.94 3.91 3.58 3.28 3.02 2.91 2.76 2.60 2.34 2.33 2.15 1.99 1.97 1.78 1.70 1.61 1.48 1.39 1.36 1.25 1.25 1.21 1.20 1.20 1.16 1.12 1.11 1.10 1.02 2 2 2 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 S S S P:z S S P:x S S S S S P:y S S S P:x S P:z P:x S S S S S S P:z S S S P:x S P:y S -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -15.871 -5.048 -15.871 -6.581 -6.581 -5.048 -15.871 -5.048 -5.048 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 2.00 2.00 2.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 0.67 2.00 1.00 1.00 0.67 2.00 0.67 0.67 1.00 2.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 196 204 198 187 58 206 187 195 76 74 57 203 192 205 75 50 200 197 194 191 80 192 56 61 49 55 200 81 82 62 202 72 187 48 C C C N H C N C H H H C C C H H C C C C H C H H H H C H H H C H N H -19.093 2.00 512 A 8.72 7.83 5.46 4.35 3.83 3.81 3.65 3.33 3.09 2.91 2.90 2.80 2.64 2.34 2.22 2.09 1.75 1.72 1.56 1.43 1.43 1.36 1.34 1.32 1.29 1.17 1.17 1.16 1.16 1.15 1.12 1.10 1.10 1.04 2 2 1 2 2 1 2 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z S S S S P:y S S S S S S S S P:z P:z S S P:x S S S P:y P:y S S S S S S S S -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -7.353 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -15.871 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 0.67 0.67 1.00 1.00 0.67 2.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 244 252 190 246 254 166 243 190 184 182 165 251 253 183 245 158 239 248 43 164 240 240 163 169 248 242 46 157 44 156 185 170 180 155 C C N C C H C N H H H C C H C H C C H H C C H H C C H H H H H H H H -18.732 2.00 513 A 9.30 9.24 5.59 5.27 4.90 4.39 4.29 4.23 4.23 3.75 3.12 3.05 3.00 2.93 2.37 2.07 1.87 1.69 1.65 1.62 1.53 1.37 1.22 1.11 1.11 1.09 1.02 1.01 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 S S S S P:y S S S S S S P:z S S S S S S P:z P:x P:x P:z S S S P:x P:y S -15.871 -15.871 -15.871 -15.871 -7.353 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -7.353 -6.581 -15.871 -15.871 -5.048 -5.048 -15.871 2.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 2.00 2.00 0.67 0.67 2.00 213 221 209 220 188 96 212 113 114 95 87 217 88 115 112 110 94 111 216 209 188 188 93 217 222 213 217 208 C C C C N H C H H H H C H H H H H H C C N N H C C C C C -18.722 2.00 514 A 8.92 8.88 5.76 5.65 4.81 4.26 4.08 4.07 3.83 3.81 3.69 3.21 2.96 2.82 2.52 2.27 2.06 1.98 1.93 1.85 1.66 1.42 1.36 -1.25 1.14 1.10 1.03 1.01 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 S S S S S S S S P:y P:z S S S S S S S P:z P:x S P:x P:z S P:z P:x S S S -15.871 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -7.353 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -7.353 -6.581 -5.048 -5.048 -6.581 5.519 -5.048 -15.871 -15.871 -15.871 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.00 0.67 2.00 2.00 2.00 245 253 252 241 244 168 186 185 190 249 167 159 160 45 184 182 166 190 190 183 241 248 165 249 245 249 240 254 C C C C C H H H N C H H H H H H H N N H C C H C C C C C -18.722 2.00 515 A 9.19 9.09 6.49 5.58 5.40 4.47 4.35 4.17 4.15 3.76 3.14 3.00 2.88 2.53 2.45 2.14 1.93 1.77 1.69 1.51 1.46 1.31 1.27 -1.24 1.09 1.08 1.02 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 S S P:y S S S S S S S S S S P:x S S S P:z S P:x P:y P:z S P:x S S S -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -6.581 5.519 -15.871 -15.871 -15.871 2.00 2.00 1.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.00 2.00 2.00 2.00 197 205 187 193 204 196 60 77 78 59 51 52 79 201 76 74 58 193 75 200 201 187 57 201 206 201 192 C C N C C C H H H H H H H C H H H C H C C N H C C C C -18.708 2.00 516 A 9.93 9.66 5.32 4.73 4.57 4.35 4.34 3.97 3.75 3.63 3.59 3.20 3.06 3.04 2.98 2.14 1.87 1.65 1.64 1.53 -1.47 1.29 1.06 1.05 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 S S S S S S S S S P:x P:z P:y S S S S S P:x S S P:z S S P:z -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -7.353 -5.048 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 5.519 -15.871 -6.581 -7.353 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.00 2.00 1.00 1.00 229 237 225 236 132 149 150 131 228 189 233 189 124 151 123 148 146 225 130 147 233 238 129 189 C C C C H H H H C N C N H H H H H C H H C C H N -18.239 2.00 517 A 8.51 7.17 6.63 6.37 5.47 4.62 3.93 3.72 3.34 3.14 3.12 2.62 2.61 2.07 1.99 1.91 1.82 1.81 1.79 1.76 1.70 1.51 1.44 1.17 2 2 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 S S P:x S S S S S S S S S S S S P:y S S S S P:x S S S -15.871 -15.871 -7.353 -15.871 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -5.048 -15.871 -6.581 -15.871 2.00 2.00 1.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 2.00 1.00 2.00 219 222 188 211 214 207 108 210 116 109 107 118 117 92 91 188 98 90 97 84 215 215 83 218 C C N C C C H C H H H H H H H N H H H H C C H C -18.237 2.00 518 A 8.60 7.08 6.45 5.77 5.34 4.57 3.98 3.80 3.31 3.15 3.15 2.61 2.60 2.22 2.13 1.99 1.86 1.78 1.75 1.73 1.73 1.48 1.46 1.45 1.22 1.00 2 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 S S S P:x S S S S S S S S S P:z S S S S S P:x S S P:z S S P:y -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -15.871 -5.048 -6.581 -15.871 -7.353 2.00 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 2.00 0.67 1.00 2.00 1.00 251 254 243 190 246 239 180 242 43 179 181 44 46 190 164 163 162 170 169 247 156 247 250 155 250 190 C C C N C C H C H H H H H N H H H H H C H C C H C N -18.218 2.00 519 A 8.60 6.99 6.71 5.33 5.16 4.49 4.06 3.82 3.31 3.28 3.17 3.02 2.59 2.59 2.21 2.03 1.87 1.72 1.72 1.71 1.69 1.63 1.42 1.35 1.28 1.07 2 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 S S S P:x S S S S P:z S S S S S S S S S S P:x S P:z S S S P:x -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -15.871 -15.871 -5.048 2.00 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 2.00 2.00 0.67 203 206 195 187 198 191 72 194 187 80 71 73 81 82 56 55 54 48 62 202 61 199 47 199 202 199 C C C N C C H C N H H H H H H H H H H C H C H C C C -18.218 2.00 520 A 8.63 7.05 6.55 5.88 5.32 4.62 3.98 3.71 3.29 3.18 3.13 2.59 2.58 2.57 2.15 2.11 2.05 1.81 1.79 1.76 1.76 1.48 1.44 1.25 1.19 1.03 1.00 2 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 S S S P:z S S S S S S S S S P:x S P:z S S S S S S S P:z S P:z P:z -15.871 -15.871 -15.871 -7.353 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -15.871 -5.048 -5.048 2.00 2.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.67 2.00 0.67 0.67 235 238 227 189 230 223 144 226 152 145 143 154 153 189 128 234 127 126 120 134 133 119 231 231 234 223 226 C C C N C C H C H H H H H N H C H H H H H H C C C C C -17.256 2.00 521 A 5.64 5.01 3.71 3.71 3.33 3.22 3.19 2.98 2.90 2.78 2.78 2.67 2.62 2.33 2.27 2.09 1.99 1.86 1.86 1.85 1.81 1.63 1.62 1.61 1.50 1.44 1.41 1.32 1.32 1.18 1.15 1.13 1.04 2 2 2 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 2 1 1 2 S S S S S S S S S S S S S P:y S S S S S S S S S S S S S P:x P:z S S P:z S -15.871 -21.259 -15.871 -6.581 -6.581 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -5.048 -5.048 -15.871 -6.581 -5.048 -15.871 2.00 2.00 2.00 1.00 1.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 2.00 1.00 2.00 0.67 0.67 2.00 1.00 0.67 2.00 216 188 208 101 89 220 210 217 110 86 209 102 90 212 87 103 83 84 111 88 207 112 221 114 222 85 219 213 216 215 104 210 218 C N C H H C C C H H C H H C H H H H H H C H C H C H C C C C H C C -17.244 2.00 522 A 5.33 5.05 3.77 3.58 3.29 3.17 3.16 3.01 2.89 2.83 2.70 2.57 2.48 2.20 2.11 2.04 1.90 1.86 1.84 1.82 1.71 1.62 1.62 1.58 1.54 1.54 1.54 1.49 1.45 1.30 1.18 1.17 1.13 1.05 2 2 2 1 1 2 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 1 S S S S S S S S S S S S S S S S S S S S P:y S S S S S S P:z P:x S P:y S S P:z -15.871 -21.259 -15.871 -6.581 -6.581 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -15.871 -6.581 -6.581 -6.581 -15.871 -15.871 -5.048 -5.048 -15.871 -5.048 -6.581 -15.871 -5.048 2.00 2.00 2.00 1.00 1.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 2.00 1.00 1.00 1.00 2.00 2.00 0.67 0.67 2.00 0.67 1.00 2.00 0.67 248 190 240 173 161 252 242 249 182 158 241 162 174 159 175 155 239 156 160 183 244 253 186 184 157 251 254 248 245 247 240 176 250 252 C N C H H C C C H H C H H H H H C H H H C C H H H C C C C C C H C C -17.242 2.00 523 A 5.64 5.02 3.75 3.70 3.26 3.21 3.10 2.96 2.96 2.78 2.77 2.68 2.61 2.29 2.18 2.08 2.05 1.91 1.90 1.86 1.82 1.64 1.61 1.61 1.49 1.48 1.45 1.41 1.16 1.14 1.13 1.02 2 2 2 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 2 1 1 2 S S S S S S S S S S S S S S P:y S S S S S S S S S P:y S S S S P:x S S -15.871 -21.259 -15.871 -6.581 -6.581 -15.871 -15.871 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -15.871 -6.581 -15.871 -15.871 -5.048 -6.581 -15.871 2.00 2.00 2.00 1.00 1.00 2.00 2.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 0.67 2.00 1.00 2.00 2.00 0.67 1.00 2.00 200 187 192 65 53 204 194 201 74 50 193 66 54 51 196 67 47 48 191 52 75 76 78 205 193 203 49 206 199 192 68 202 C N C H H C C C H H C H H H C H H H C H H H H C C C H C C C H C -17.239 2.00 524 A 5.89 5.03 3.88 3.74 3.33 3.29 3.23 2.99 2.88 2.81 2.80 2.75 2.64 2.43 1.99 1.98 1.92 1.89 1.82 1.79 1.71 1.67 1.50 1.48 1.44 1.44 1.41 1.40 1.25 1.17 1.15 1.13 2 2 1 2 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 2 1 S S S S S S S S S S S S S S S S S S P:y S S S S S S P:y S S P:x P:z S P:z -15.871 -21.259 -6.581 -15.871 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -5.048 -15.871 -6.581 -5.048 -5.048 -15.871 -5.048 2.00 2.00 1.00 2.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 2.00 1.00 2.00 1.00 2.00 0.67 2.00 1.00 0.67 0.67 2.00 0.67 232 189 137 224 125 236 226 146 225 138 122 126 233 123 119 124 147 139 228 120 223 148 237 150 238 224 235 121 229 236 231 232 C N H C H C C H C H H H C H H H H H C H C H C H C C C H C C C C -16.775 2.00 525 A 9.08 6.29 6.17 4.74 3.86 3.85 3.39 3.38 3.31 3.21 3.16 3.05 3.00 2.33 2.29 2.17 1.97 1.93 1.90 1.77 1.75 1.42 -1.33 1.26 1.23 1.21 1.17 1.07 1.01 1.01 1.00 2 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 S S S S S S S S P:z S S S S P:y S P:y S P:y S S S S P:y P:z S S P:y S S P:x P:z -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -15.871 -5.048 -6.581 -5.048 -15.871 -6.581 -6.581 -6.581 5.519 -5.048 -6.581 -6.581 -5.048 -15.871 -6.581 -5.048 -5.048 2.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 2.00 0.67 1.00 0.67 2.00 1.00 1.00 1.00 0.00 0.67 1.00 1.00 0.67 2.00 1.00 0.67 0.67 250 177 178 247 254 169 246 170 246 46 44 172 171 250 251 254 43 242 248 179 181 174 250 251 173 180 246 243 164 243 247 C H H C C H C H C H H H H C C C H C C H H H C C H H C C H C C -16.773 2.00 526 A 8.38 5.84 5.70 5.58 3.80 3.74 3.72 3.40 3.21 3.03 2.97 2.81 2.80 2.76 2.17 2.13 1.91 1.90 1.87 1.54 1.45 1.44 1.41 1.38 1.37 1.24 1.21 1.19 1.17 1.04 2 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 S S S S S S S P:z S S S S S S S S S S P:y P:y S S S P:z S P:z S P:y S P:z -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -5.048 -5.048 -15.871 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 2.00 2.00 1.00 1.00 1.00 1.00 2.00 0.67 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 0.67 0.67 2.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 218 215 105 106 100 99 222 214 97 117 118 98 214 219 107 109 116 216 222 218 211 108 102 215 92 219 101 210 91 207 C C H H H H C C H H H H C C H H H C C C C H H C H C H C H C -16.770 2.00 527 A 10.02 7.09 6.94 4.97 4.26 4.20 4.07 3.80 3.47 3.42 2.97 2.86 2.51 2.49 2.05 1.89 -1.63 1.48 1.45 1.44 1.41 1.31 1.21 1.13 -1.04 1.03 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 2 1 S S S S S S S P:x S S P:z P:z P:z S S S P:z S S S S P:z S S P:z S -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -15.871 -6.581 -15.871 5.519 -6.581 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 5.519 -6.581 2.00 1.00 1.00 1.00 1.00 2.00 2.00 0.67 1.00 1.00 0.67 0.67 0.67 2.00 1.00 2.00 0.00 1.00 1.00 1.00 2.00 0.67 1.00 1.00 0.00 1.00 202 69 70 61 62 198 206 198 81 82 202 206 194 199 80 200 202 66 64 63 203 198 65 54 198 71 C H H H H C C C H H C C C C H C C H H H C C H H C H -16.754 2.00 528 A 9.09 6.21 6.08 4.77 3.94 3.67 3.24 3.21 3.20 3.14 3.00 2.94 2.81 2.39 2.24 2.02 2.00 1.97 1.81 1.79 1.79 1.52 1.37 1.35 -1.30 1.27 1.26 1.10 2 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 S S S S S S S S S S S S P:z S P:y S P:y S S S P:y S P:y P:z P:y S S P:x -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -15.871 -5.048 -6.581 -5.048 -15.871 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 5.519 -6.581 -6.581 -5.048 2.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 0.67 2.00 0.67 1.00 0.67 2.00 1.00 1.00 0.67 1.00 0.67 0.67 0.00 1.00 1.00 0.67 234 141 142 231 238 133 153 134 154 230 136 135 230 235 234 152 238 232 143 145 226 138 230 235 234 144 137 227 C H H C C H H H H C H H C C C H C C H H C H C C C H H C -16.719 2.00 529 A 5.57 4.62 4.56 4.46 4.35 4.31 4.01 3.46 3.31 2.84 2.82 2.66 2.51 2.22 2.02 1.92 1.87 1.76 1.74 1.73 1.71 1.58 1.58 1.56 1.52 1.50 1.43 -1.40 1.35 1.35 1.27 1.23 -1.21 1.20 1.18 1.12 1.07 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 2 2 2 1 2 2 1 1 1 1 S S S S S S S P:z S S P:z P:z S S S S S S S S S S S S P:z S P:y P:z S S P:z S P:z S S S S -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -5.048 -15.871 -5.048 5.519 -15.871 -15.871 -5.048 -15.871 5.519 -6.581 -6.581 -6.581 -6.581 2.00 1.00 2.00 1.00 1.00 1.00 2.00 0.67 1.00 1.00 0.67 0.67 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 0.67 2.00 0.67 0.00 2.00 2.00 0.67 2.00 0.00 1.00 1.00 1.00 1.00 215 92 217 100 91 99 211 211 104 103 215 207 97 221 84 115 95 219 107 98 109 90 214 114 219 213 213 211 207 210 214 218 215 113 105 83 106 C H C H H H C C H H C C H C H H H C H H H H C H C C C C C C C C C H H H H -16.718 2.00 530 A 6.36 4.99 4.88 4.85 4.56 4.54 4.24 3.26 2.84 2.65 2.44 2.22 2.19 2.12 2.11 2.07 2.00 1.99 1.90 1.87 1.76 1.54 1.49 1.48 1.43 1.36 1.35 1.30 1.24 1.17 -1.16 -1.15 1.07 1.06 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 2 1 2 2 1 1 S S S S S S S S S P:z P:z P:z S S S S S S S P:z S S S S S S P:x S S S P:z P:z P:y S -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -5.048 -5.048 -5.048 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -5.048 -15.871 -15.871 -6.581 5.519 5.519 -5.048 -6.581 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 0.67 0.67 0.67 2.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 2.00 1.00 2.00 0.67 2.00 2.00 1.00 0.00 0.00 0.67 1.00 247 172 164 171 163 249 243 176 175 247 239 243 253 156 169 251 181 179 45 251 167 186 162 245 170 242 243 246 239 185 243 247 243 155 C H H H H C C H H C C C C H H C H H H C H H H C H C C C C H C C C H -16.694 2.00 531 A 8.37 6.37 6.14 5.50 5.01 4.74 4.33 3.07 2.97 2.95 2.80 2.73 2.64 2.05 2.04 2.04 2.03 2.02 1.98 1.79 1.57 1.52 1.47 1.43 1.41 1.35 1.28 1.21 1.19 1.13 1.08 1.04 2 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 S S S S S S S S S P:z S S S S S P:x P:x P:y P:y S S P:x S S S P:y P:x P:z S S S P:y -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -5.048 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -15.871 -5.048 -5.048 -5.048 -15.871 -6.581 -6.581 -5.048 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 0.67 1.00 1.00 1.00 1.00 2.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 2.00 0.67 0.67 0.67 2.00 1.00 1.00 0.67 199 64 63 56 55 195 201 68 203 195 71 67 73 48 205 203 199 197 195 79 59 191 72 78 197 191 205 193 194 47 77 199 C H H H H C C H C C H H H H C C C C C H H C H H C C C C C H H C -16.687 2.00 532 A 6.80 5.36 5.20 5.16 4.92 4.57 4.19 2.89 2.83 2.69 2.23 2.15 2.15 2.13 2.04 1.97 1.76 1.75 1.73 1.53 1.46 1.44 1.42 1.39 1.34 1.34 1.32 1.29 1.28 1.25 1.23 1.20 1.15 1.06 2 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 S S S S S S S P:x S S S S S S S S P:z P:z S S P:y P:z S S P:x S S S P:x S S S S S -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -5.048 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -15.871 -6.581 -5.048 -15.871 -15.871 -15.871 -6.581 -6.581 2.00 1.00 1.00 1.00 1.00 2.00 2.00 0.67 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 2.00 1.00 0.67 2.00 2.00 2.00 1.00 1.00 231 136 135 128 127 227 233 227 140 139 235 120 143 145 237 133 231 235 151 131 227 223 150 134 229 119 223 126 223 226 230 229 149 144 C H H H H C C C H H C H H H C H C C H H C C H H C H C H C C C C H H -16.472 2.00 533 A 5.47 4.74 3.83 3.70 3.38 3.32 3.14 2.82 2.74 2.68 2.63 2.32 2.17 2.01 1.97 1.85 1.78 1.73 1.68 1.58 1.51 1.25 1.24 1.21 1.16 1.15 1.15 1.15 1.14 1.13 1.12 1.11 1.10 1.10 1.08 1.06 1.01 2 1 1 2 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 S S S S S S S S S S S S S S P:y P:y S S S S S P:y S S S S S P:y S S S P:y P:z S P:y S P:y -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -5.048 -5.048 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -6.581 -15.871 -15.871 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -15.871 -5.048 -6.581 -7.353 2.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 2.00 1.00 0.67 0.67 1.00 1.00 2.00 1.00 1.00 0.67 1.00 1.00 2.00 2.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 2.00 0.67 1.00 1.00 249 176 167 250 245 175 178 177 248 170 246 45 253 174 241 245 173 159 247 186 168 250 171 44 252 244 172 249 169 183 46 244 253 254 254 185 190 C H H C C H H H C H C H C H C C H H C H H C H H C C H C H H H C C C C H N -16.472 2.00 534 A 5.32 4.57 4.06 3.62 3.42 3.24 3.23 3.11 2.90 2.86 2.70 2.24 2.11 2.08 1.98 1.84 1.74 1.59 1.55 1.48 1.41 1.33 1.31 1.23 1.23 1.22 1.19 1.12 1.12 1.11 1.09 1.04 1.04 1.04 1.01 2 1 2 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 S S S S S S S S S S S S S P:y S P:y S S S S S S S S S S P:y S P:z S S S S P:y P:z -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -7.353 -15.871 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 2.00 1.00 2.00 0.67 1.00 0.67 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 217 104 218 95 106 103 213 105 98 214 216 115 221 213 102 209 101 87 114 215 96 118 97 117 212 222 188 220 214 111 99 113 93 222 221 C H C H H H C H H C C H C C H C H H H C H H H H C C N C C H H H H C C -16.465 2.00 535 A 5.24 4.54 3.65 3.63 3.23 3.20 3.11 2.82 2.70 2.67 2.66 2.59 2.20 2.08 2.05 1.94 1.90 1.73 1.68 1.65 1.54 1.51 1.43 1.42 1.24 1.21 1.20 1.19 1.15 1.11 1.09 1.06 1.05 1.01 2 1 2 1 2 1 1 1 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 S S S S S S S S S S S P:z S S S P:y S S P:x S S S S S S P:z P:z S S S S S S P:y -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -5.048 -6.581 -15.871 -15.871 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -15.871 -15.871 -6.581 -6.581 -15.871 -5.048 2.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 2.00 0.67 1.00 2.00 2.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 2.00 2.00 1.00 1.00 2.00 0.67 201 68 202 59 197 67 70 69 198 62 200 193 79 199 205 197 66 65 205 51 63 78 60 64 61 206 202 82 196 204 81 75 206 192 C H C H C H H H C H C C H C C C H H C H H H H H H C C H C C H H C C -16.449 2.00 536 A 5.31 4.31 3.80 3.43 3.36 3.27 3.07 2.97 2.91 2.89 2.84 2.36 2.18 2.08 1.93 1.57 1.56 1.56 1.56 1.41 1.41 1.38 1.35 1.31 1.29 1.29 1.28 1.28 1.28 1.27 1.25 1.23 1.23 1.17 1.14 1.10 1.09 1.06 1.06 1.04 2 1 2 1 1 1 2 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 S S S S S S S S S S S S S S S S P:y S P:y S P:y S S S P:y P:x P:y P:z S S S S S P:y S P:z S S P:y P:y -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -15.871 -6.581 -15.871 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -15.871 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -5.048 -15.871 -6.581 -5.048 -5.048 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 2.00 1.00 1.00 2.00 1.00 2.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 2.00 1.00 2.00 1.00 1.00 0.67 1.00 0.67 2.00 1.00 0.67 0.67 233 140 234 131 139 142 232 141 229 134 230 138 151 237 137 228 229 150 225 129 234 123 133 147 230 224 228 237 236 130 231 154 132 233 153 236 238 149 238 226 C H C H H H C H C H C H H C H C C H C H C H H H C C C C C H C H H C H C C H C C -16.293 2.00 537 A 5.96 4.78 4.64 4.40 4.36 4.31 3.77 3.68 3.45 2.80 2.56 2.25 2.18 2.07 2.03 1.83 1.73 1.62 1.45 1.37 1.35 1.30 1.28 1.22 1.18 1.16 1.11 1.10 1.04 1.04 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 2 2 1 1 1 1 1 1 S S S S P:z S S S S S S P:z S P:y S S S S S S S P:y S S P:y S P:z P:z P:z S -6.581 -6.581 -6.581 -15.871 -5.048 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -5.048 -15.871 -6.581 -15.871 -6.581 -15.871 -6.581 -21.259 -5.048 -15.871 -15.871 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 1.00 1.00 2.00 0.67 2.00 1.00 1.00 2.00 1.00 1.00 0.67 1.00 0.67 2.00 1.00 2.00 1.00 2.00 1.00 2.00 0.67 2.00 2.00 0.67 1.00 0.67 0.67 0.67 1.00 93 102 85 216 208 212 94 86 208 83 111 212 101 212 220 91 217 104 213 90 188 207 211 207 216 112 211 220 210 96 H H H C C C H H C H H C H C C H C H C H N C C C C H C C C H -16.284 2.00 538 A 5.57 4.33 4.28 3.94 3.83 3.55 3.49 3.37 3.30 2.72 2.67 2.34 2.28 2.07 2.03 1.90 1.86 1.80 1.80 1.78 1.73 1.60 1.38 1.35 1.30 1.30 1.24 1.14 1.13 1.11 1.04 1.02 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 2 1 1 S S S S S S S S P:x S P:y S S S P:y S S P:x S S P:z P:y S S S S S S S S S S -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -15.871 -5.048 -6.581 -5.048 -15.871 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -15.871 -15.871 -5.048 -5.048 -6.581 -15.871 -21.259 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 1.00 1.00 1.00 2.00 2.00 1.00 1.00 2.00 0.67 1.00 0.67 2.00 1.00 1.00 0.67 1.00 1.00 0.67 2.00 2.00 0.67 0.67 1.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 129 121 138 228 232 122 130 224 224 119 228 233 147 140 223 127 137 228 229 236 236 224 139 227 189 126 132 123 131 223 151 148 H H H C C H H C C H C C H H C H H C C C C C H C N H H H H C H H -16.275 2.00 539 A 6.07 5.07 4.68 4.64 4.41 3.81 3.61 3.40 3.18 2.81 2.72 2.58 2.32 2.15 1.88 1.85 1.83 1.62 1.54 1.50 1.45 1.32 1.31 1.30 1.29 1.27 1.19 1.17 1.02 1.02 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 2 2 1 1 1 1 S S S S S S S S P:y S S P:z S S P:x P:y S P:z S P:y S S S S S S S P:y S P:x -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -5.048 -6.581 -15.871 -5.048 -5.048 -6.581 -5.048 -15.871 -5.048 -6.581 -15.871 -6.581 -21.259 -15.871 -15.871 -6.581 -5.048 -6.581 -5.048 1.00 1.00 1.00 2.00 2.00 1.00 1.00 2.00 0.67 1.00 1.00 0.67 1.00 2.00 0.67 0.67 1.00 0.67 2.00 0.67 1.00 2.00 1.00 2.00 2.00 2.00 1.00 0.67 1.00 0.67 165 174 157 248 244 166 158 240 244 155 183 240 173 252 240 239 163 252 249 240 176 245 162 190 243 239 184 248 182 244 H H H C C H H C C H H C H C C C H C C C H C H N C C H C H C -16.271 2.00 540 A 6.11 4.95 4.72 4.61 4.44 4.33 3.85 3.60 3.43 3.06 2.83 2.67 2.30 2.27 2.17 1.88 1.85 1.72 1.63 1.50 1.43 1.37 1.33 1.32 1.30 1.27 1.24 1.00 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 2 2 1 1 S S S S S P:z S S S P:z S S S P:y S P:x S P:z P:z S S S S S S S S P:x -6.581 -6.581 -6.581 -15.871 -15.871 -5.048 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -6.581 -5.048 -15.871 -5.048 -6.581 -5.048 -5.048 -15.871 -6.581 -6.581 -21.259 -15.871 -15.871 -15.871 -6.581 -5.048 1.00 1.00 1.00 2.00 2.00 0.67 1.00 1.00 2.00 0.67 1.00 1.00 1.00 0.67 2.00 0.67 1.00 0.67 0.67 2.00 1.00 1.00 2.00 2.00 2.00 2.00 1.00 0.67 57 66 49 200 196 196 58 50 192 192 47 75 65 192 204 204 55 200 191 201 68 54 187 197 195 191 76 195 H H H C C C H H C C H H H C C C H C C C H H N C C C H C -15.273 2.00 541 A 14.39 9.18 6.65 5.66 4.96 4.90 4.73 3.70 3.67 3.29 2.68 2.48 2.21 1.89 1.70 1.52 1.43 1.35 1.24 1.22 1.20 1.14 1.13 1.11 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 P:x P:z S S P:y P:y P:y S P:z S P:y P:x P:x S S P:z S P:x P:z S P:x P:y S P:z P:y P:z -7.353 -5.048 -6.581 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -15.871 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 2.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 188 209 88 89 188 208 207 83 210 85 210 210 214 96 97 213 209 213 214 101 217 213 84 208 216 212 N C H H N C C H C H C C C H H C C C C H C C H C C C -15.266 2.00 542 A 13.51 9.43 6.65 5.80 5.76 5.66 4.86 3.95 3.82 3.54 3.36 2.79 2.71 1.84 1.70 1.37 1.31 1.29 1.22 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:z S P:y P:y S P:y P:z S P:x S P:x P:z S S S P:y P:x S S P:y -7.353 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -15.871 -5.048 -5.048 -6.581 -6.581 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 2.00 0.67 0.67 1.00 1.00 0.67 190 241 160 240 190 161 239 242 155 242 157 246 245 168 169 241 242 249 173 156 243 N C H C N H C C H C H C C H H C C C H H C -15.261 2.00 543 A 11.51 8.75 7.26 6.99 5.51 5.45 5.29 4.03 3.58 3.19 3.04 2.69 2.56 2.53 1.86 1.66 1.46 1.33 1.19 1.17 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:y P:y P:x S S P:z P:x P:y S S P:x P:y P:y P:z S S S P:y S S S -7.353 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -6.581 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 2.00 0.67 1.00 1.00 1.00 187 194 187 52 53 192 193 193 47 49 197 191 198 191 60 61 193 200 65 48 54 N C N H H C C C H H C C C C H H C C H H H -15.260 2.00 544 A 9.58 7.39 6.76 6.72 6.26 5.79 5.55 4.74 3.70 3.65 3.28 3.26 2.81 2.59 1.82 1.63 1.47 1.35 1.21 1.18 1.18 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:y S P:z P:x P:y S P:y P:z S P:x S P:x P:z S S S P:y S S P:z P:x -7.353 -7.353 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -5.048 -5.048 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 2.00 0.67 1.00 1.00 0.67 0.67 189 189 124 225 226 224 125 223 229 119 230 121 225 189 132 133 225 226 137 120 226 233 N N H C C C H C C H C H C N H H C C H H C C -14.772 2.00 545 A 9.47 5.19 5.13 4.91 4.41 4.20 3.89 3.83 3.36 3.28 2.89 2.50 2.43 2.13 1.90 1.89 1.61 1.53 1.47 1.44 1.40 1.20 1.16 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 P:y P:x S P:z P:z S P:x P:x P:x P:y P:z P:y S P:x S P:z S S P:y P:y S S P:z S S -7.353 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -15.871 -5.048 -6.581 -6.581 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 2.00 0.67 1.00 1.00 188 208 86 188 208 90 210 188 212 208 210 213 85 209 87 207 95 93 214 217 84 209 212 96 94 N C H N C H C N C C C C H C H C H H C C H C C H H -14.772 2.00 546 A 9.93 9.83 6.63 6.08 5.12 4.23 4.22 3.27 2.64 2.62 2.55 2.22 2.09 1.92 1.59 1.55 1.44 1.32 1.16 1.14 1.02 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 P:x P:x P:x P:z S S P:x P:z P:z P:z S P:y P:y S S S P:z S S S S S S -7.353 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -6.581 -5.048 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 2.00 1.00 2.00 1.00 1.00 187 192 194 187 50 54 196 197 191 192 49 193 187 51 57 59 201 48 193 62 194 69 58 N C C N H H C C C C H C N H H H C H C H C H H -14.770 2.00 547 A 10.68 8.31 5.41 5.14 4.30 3.40 2.86 2.75 2.52 2.48 2.36 2.23 2.20 2.11 2.04 1.89 1.71 1.59 1.55 1.53 1.36 1.36 1.22 1.22 1.08 1.08 1.08 1.07 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 P:z P:z P:y S S P:x P:z P:x P:x P:y S P:z P:x P:x P:y S P:y S P:y S P:y S S P:x S P:y P:x S S -7.353 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -15.871 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 2.00 0.67 1.00 0.67 0.67 1.00 1.00 190 240 190 158 162 240 242 242 244 245 157 244 241 190 242 159 246 167 239 165 249 156 241 239 168 240 245 166 170 N C N H H C C C C C H C C N C H C H C H C H C C H C C H H -14.767 2.00 548 A 14.47 12.15 5.17 4.41 4.22 4.16 3.58 2.71 2.50 2.06 1.92 1.91 1.91 1.86 1.58 1.56 1.53 1.35 1.15 1.13 1.09 1.08 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:z P:z S P:z S P:z P:y P:y S P:y P:x P:y S P:x P:y S S S S P:y S S S -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -15.871 -5.048 -6.581 -6.581 -6.581 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 2.00 0.67 1.00 1.00 1.00 189 224 122 226 126 228 189 226 121 229 223 230 123 225 223 129 131 120 225 233 134 130 132 N C H C H C N C H C C C H C C H H H C C H H H -14.422 2.00 549 A 10.30 9.08 7.71 7.37 3.18 2.91 2.54 2.44 2.41 2.41 2.26 2.14 2.13 2.09 2.04 2.01 2.00 1.92 1.83 1.73 1.68 1.68 1.63 1.61 1.59 1.54 1.53 1.50 1.15 1.09 1 1 1 1 1 1 3 1 1 3 3 1 1 3 1 1 1 1 3 3 1 3 3 1 1 1 3 3 4 4 P:z P:z P:z P:z P:z P:z D:z2 P:z P:z D:z2 D:z2 P:z P:y D:z2 P:y P:z P:x P:x D:z2 D:z2 P:y D:z2 D:z2 P:z P:y P:z D:z2 D:z2 D:z2 D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 4.723 4.723 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.00 0.00 26 25 31 32 24 21 6 27 30 8 7 22 22 5 23 23 29 28 3 2 24 1 4 29 21 28 10 9 8 5 O O O O O O W O O W W O O W O O O O W W O W W O O O W W W W -14.387 2.00 550 A 8.60 8.19 6.69 5.84 3.11 2.90 2.89 2.88 2.70 2.67 2.45 2.44 2.39 2.31 2.28 2.13 2.12 2.09 2.05 1.86 1.74 1.72 1.69 1.66 1.52 1.45 1.35 1.25 1.21 1.21 1.20 1.14 1 1 1 1 3 3 3 3 1 1 3 3 1 1 3 3 3 3 1 1 1 3 3 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z D:z2 D:z2 D:z2 D:z2 P:z P:z D:z2 D:z2 P:x P:x D:z2 D:x2-y2 D:z2 D:x2-y2 P:z P:z P:z D:xy D:xy P:z P:y P:y P:z P:z P:y P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 32 26 25 3 2 4 1 27 30 8 6 29 28 7 10 5 9 24 21 29 10 9 28 22 23 22 23 24 27 30 21 O O O O W W W W O O W W O O W W W W O O O W W O O O O O O O O O -14.290 2.00 551 A 11.04 8.76 5.63 4.99 4.84 4.62 4.46 3.37 3.11 2.70 2.58 2.58 2.45 2.19 2.10 1.74 1.72 1.63 1.55 1.20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:z P:x P:x P:z P:y P:y S P:y P:x S P:x S S P:z P:y S S P:x P:x P:y -7.353 -5.048 -7.353 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -15.871 -6.581 -5.048 -5.048 -5.048 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 2.00 1.00 0.67 0.67 0.67 188 207 188 211 209 188 84 214 210 92 212 93 87 212 208 207 98 216 208 211 N C N C C N H C C H C H H C C C H C C C -14.277 2.00 552 A 9.39 8.66 8.10 5.90 4.70 4.69 4.35 3.36 3.11 3.07 2.54 2.50 2.48 2.23 2.00 1.75 1.71 1.50 1.24 1.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:x P:x P:y P:z P:y P:z S P:x P:x P:y S S S P:y P:x S S P:x P:z P:z -5.048 -7.353 -7.353 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -15.871 -6.581 -5.048 -5.048 -5.048 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 2.00 1.00 0.67 0.67 0.67 239 190 190 243 241 190 156 244 242 246 165 164 159 240 248 239 170 240 247 244 C N N C C N H C C C H H H C C C H C C C -14.275 2.00 553 A 13.79 7.82 7.55 4.98 4.74 4.63 4.18 2.81 2.62 2.50 2.50 2.42 2.28 2.15 1.77 1.63 1.52 1.27 1.26 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:x P:y P:y P:z P:x S P:y S S S P:x P:y P:x S S P:z P:x P:x P:z -7.353 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -15.871 -6.581 -5.048 -5.048 -5.048 -5.048 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 2.00 1.00 0.67 0.67 0.67 0.67 189 223 189 225 227 228 120 230 123 128 129 232 224 226 223 134 223 227 224 231 N C N C C C H C H H H C C C C H C C C C -14.271 2.00 554 A 15.02 5.95 4.45 4.41 4.09 3.45 3.37 3.04 2.75 2.64 2.45 2.45 2.40 2.08 2.07 1.83 1.78 1.69 1.61 1.31 1.23 1.16 1.15 1.12 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 P:z P:y S P:z P:y P:y P:x P:z P:y S S S P:z P:y P:y P:x S S P:y P:z P:z P:y P:y P:x P:y -7.353 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -15.871 -6.581 -5.048 -5.048 5.519 -5.048 -5.048 -5.048 -5.048 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 2.00 1.00 0.67 0.67 0.00 0.67 0.67 0.67 0.67 187 187 48 191 191 196 195 193 195 56 57 51 198 192 193 191 191 62 200 196 191 194 201 194 198 N N H C C C C C C H H H C C C C C H C C C C C C C -14.188 2.00 555 A 10.61 10.40 10.35 9.93 3.58 3.51 3.51 3.32 2.08 2.06 2.04 2.02 2.02 2.00 1.97 1.89 1.68 1.61 1.61 1.56 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 3 3 3 3 3 P:y P:x P:y P:x P:y P:y P:x P:x P:x P:y P:x D:x2-y2 D:x2-y2 D:x2-y2 P:y D:x2-y2 D:xy D:xy D:xy D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 20 19 17 18 16 13 15 14 20 19 17 3 4 8 18 7 8 7 3 4 O O O O O O O O O O O W W W O W W W W W -14.155 2.00 556 A 10.47 10.28 10.26 9.74 3.40 3.33 3.30 3.18 2.08 2.07 2.05 1.96 1.94 1.92 1.92 1.83 1.62 1.55 1.51 1.49 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 P:y P:y P:x P:x P:y P:x P:y P:x P:x P:y P:x P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 16 13 15 14 20 19 17 18 16 15 13 14 6 2 1 5 6 1 2 5 O O O O O O O O O O O O W W W W W W W W -14.045 2.00 557 A 3.85 3.55 3.55 2.76 2.73 2.66 2.53 2.22 2.12 2.04 1.95 1.92 1.86 1.80 1.75 1.71 1.61 1.59 1.52 1.51 1.49 1.37 1.30 1.29 1.28 1.26 1.25 1.19 1.18 1.12 1.11 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:z P:x S S P:x P:y P:y P:x S S S P:y P:y P:y P:y P:x S S P:x P:z S P:z S P:x S S P:x S P:y P:z -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 207 209 211 213 211 95 91 214 213 215 207 94 92 87 217 243 239 245 208 83 84 241 188 97 210 167 246 99 89 243 163 247 212 C C C C C H H C C C C H H H C C C C C H H C N H C H C H H C H C C -14.045 2.00 558 A 3.66 3.46 3.41 2.93 2.70 2.69 2.40 2.37 2.17 2.09 1.97 1.88 1.87 1.83 1.79 1.66 1.66 1.56 1.54 1.50 1.46 1.43 1.42 1.38 1.34 1.33 1.29 1.29 1.28 1.24 1.21 1.20 1.18 1.14 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x S P:x P:x S P:y P:x P:y S S S P:y P:x P:y P:y S P:z S P:z P:z P:x S P:z P:x P:z P:x S S S S P:x P:x -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 243 239 245 241 167 246 243 163 247 239 249 164 166 159 207 209 211 241 156 245 155 244 190 242 169 242 240 213 211 95 161 171 91 250 214 C C C C H C C H C C C H H H C C C C H C H C N C H C C C C H H H H C C -14.035 2.00 559 A 5.66 5.24 5.17 4.28 3.79 3.75 3.75 3.63 3.45 3.16 3.11 2.95 2.87 2.77 2.67 2.63 2.44 2.43 2.11 2.10 1.93 1.79 1.77 1.76 1.61 1.41 1.21 1.20 1.14 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x S P:x P:x S P:x P:y P:z S P:y S S P:y S P:z P:x S S S S P:x P:z P:z P:x S S S -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 227 229 223 230 131 223 227 127 226 231 225 128 225 130 123 233 120 228 234 119 133 125 135 225 224 189 231 136 140 134 C C C C H C C H C C C H C H H C H C C H H H H C C N C H H H -14.030 2.00 560 A 6.15 5.95 5.35 5.07 4.37 3.96 3.92 3.57 2.72 2.71 2.67 2.66 2.43 2.19 2.19 2.17 2.17 2.10 1.99 1.86 1.74 1.70 1.68 1.67 1.66 1.52 1.32 1.27 1.18 1.15 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:z P:y P:y S S S S S P:z P:y P:x S P:y S P:y S P:z S P:x P:z P:y S P:x P:x S P:z S S P:z -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 191 195 193 197 194 198 59 55 58 51 56 201 199 197 48 202 47 193 61 191 53 196 195 187 63 192 195 68 199 64 62 192 C C C C C C H H H H H C C C H C H C H C H C C N H C C H C H H C -13.882 2.00 561 A 25.68 23.89 5.66 5.26 5.13 4.93 3.17 2.70 2.37 2.05 1.47 1.42 1.29 1.23 1.15 1.14 1.10 1 1 3 3 3 3 1 1 1 1 1 4 4 4 1 4 1 P:z P:z D:z2 D:z2 D:z2 D:z2 P:z P:z P:z P:z P:y D:z2 D:z2 D:z2 P:y D:z2 P:y -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 4.723 4.723 -9.955 4.723 -9.955 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.00 0.00 0.00 1.33 0.00 1.33 25 26 7 5 6 8 21 24 23 22 23 5 7 8 22 6 21 O O W W W W O O O O O W W W O W O -13.878 2.00 562 A 25.11 24.48 5.49 5.42 5.19 4.92 3.09 2.90 2.20 2.07 1.75 1.67 1.32 1.29 1.24 1.18 1 1 3 3 3 3 1 1 1 1 1 1 4 4 4 4 P:z P:z D:z2 D:z2 D:z2 D:z2 P:z P:z P:z P:z P:x P:x D:z2 D:z2 D:z2 D:z2 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 4.723 4.723 4.723 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 0.00 0.00 32 31 2 3 4 1 30 27 28 29 28 29 4 1 2 3 O O W W W W O O O O O O W W W W -13.446 2.00 563 A 6.44 5.19 4.57 3.93 3.93 3.83 3.65 3.54 3.47 3.35 3.06 3.06 2.68 2.53 2.52 2.32 2.31 2.16 2.03 1.96 1.88 1.72 1.68 1.49 1.32 1.31 1.23 1.08 1.07 1.05 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x S P:x P:y S P:x S P:x P:y S P:x S P:x S P:y P:y S P:x P:z P:y S S P:y P:y P:y S S S S P:z -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -7.353 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 215 211 211 91 218 214 98 188 99 214 188 92 215 106 210 100 218 219 105 222 208 209 97 109 207 208 213 107 117 84 85 214 C C C H C C H N H C N H C H C H C C H C C C H H C C C H H H H C -13.441 2.00 564 A 6.93 5.54 4.91 4.26 4.09 3.81 3.73 3.56 3.49 3.22 2.92 2.89 2.68 2.62 2.31 2.28 2.27 2.21 2.06 1.92 1.82 1.79 1.52 1.35 1.34 1.17 1.10 1.09 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x S S P:x S S P:y P:y S P:x P:y P:x S S P:x P:y S P:y S P:z P:y S S P:y S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 247 243 250 246 243 163 170 190 171 164 246 190 178 242 251 254 172 177 247 240 169 250 181 246 245 46 156 241 179 C C C C C H H N H H C N H C C C H H C C H C H C C H H C H -13.436 2.00 565 A 7.88 7.30 6.63 5.02 4.38 3.97 3.72 3.27 3.12 2.84 2.64 2.41 2.25 2.23 2.23 2.07 2.06 1.93 1.89 1.60 1.54 1.52 1.48 1.40 1.24 1.19 1.11 1.08 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y S S S S S P:z P:y S S P:y P:y P:y P:z S P:z P:z P:y P:x S P:x S S P:z S -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 198 202 195 199 187 55 62 63 56 70 199 191 69 64 206 194 193 192 61 195 201 203 195 73 187 81 48 197 82 C C C C N H H H H H C C H H C C C C H C C C C H N H H C H -13.430 2.00 566 A 6.49 5.58 5.41 5.17 3.92 3.86 3.71 3.51 3.30 3.17 3.01 2.91 2.63 2.60 2.26 2.22 2.20 2.16 2.06 2.05 2.05 1.84 1.63 1.41 1.37 1.25 1.11 1.10 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x S S P:y S P:y S P:x S P:x P:x S P:y P:y S P:y P:x S P:y S P:x P:y P:x S S S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 231 227 234 230 227 127 134 189 135 230 128 189 142 226 231 136 235 224 141 234 238 133 229 145 223 225 225 153 120 143 C C C C C H H N H C H N H C C H C C H C C H C H C C C H H H -13.407 2.00 567 A 13.60 5.29 4.29 3.56 3.35 3.29 3.27 3.25 3.13 3.03 1.96 1.56 1.54 1.48 1.37 1.32 1.31 1.23 1.21 1.18 1.15 1.12 1.10 1.05 1.04 1.03 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 3 3 1 1 3 1 3 3 3 1 1 P:x P:x P:y P:x P:x D:x2-y2 D:xz D:xy D:x2-y2 D:xy P:y P:x P:x P:y P:y D:x2-y2 D:xy P:z P:x D:xz P:x D:x2-y2 D:xy D:yz P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 12 11 12 17 20 7 10 3 8 4 24 36 16 11 23 6 2 23 13 9 35 5 1 10 42 42 O O O O O W W W W W O O O O O W W O O W O W W W O O -13.403 2.00 568 A 14.83 4.47 4.31 3.79 3.73 3.70 3.57 3.41 3.10 2.83 1.94 1.63 1.47 1.43 1.34 1.32 1.32 1.26 1.19 1.16 1.10 1.09 1.07 1.04 1.03 1.02 1.01 1 1 1 1 3 3 1 3 3 3 1 1 1 1 1 1 1 1 1 3 1 3 3 3 1 3 1 P:y P:y P:x P:y D:yz D:x2-y2 P:y D:xy D:xy D:x2-y2 P:x P:y P:x P:x P:z P:y P:y P:x P:z D:xy P:x D:yz D:x2-y2 D:xz P:y D:xz P:x -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 12 11 12 19 10 3 18 7 8 4 30 42 11 29 29 15 41 24 23 6 36 9 2 10 14 4 19 O O O O W W O W W W O O O O O O O O O W O W W W O W O -13.377 2.00 569 A 14.57 5.64 3.86 3.73 3.33 3.33 3.17 3.07 2.94 2.90 1.70 1.59 1.55 1.53 1.51 1.31 1.27 1.20 1.19 1.18 1.16 1.14 1.05 1 1 1 3 3 3 1 1 3 3 1 1 1 1 3 1 1 3 3 1 3 3 1 P:x P:x P:x D:xz D:xy D:x2-y2 P:x P:y D:x2-y2 D:xy P:x P:z P:y P:z D:xz P:x P:x D:x2-y2 D:xy P:x D:x2-y2 D:xy P:y -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 11 12 16 9 2 6 13 11 5 1 33 22 21 28 10 17 20 7 3 34 8 4 22 O O O W W W O O W W O O O O W O O W W O W W O -13.373 2.00 570 A 15.89 4.93 4.27 3.97 3.72 3.34 3.33 3.18 2.94 2.74 1.97 1.76 1.63 1.50 1.39 1.35 1.13 1.13 1.12 1.11 1.10 1.10 1.02 1.01 1 1 3 1 3 1 3 1 3 3 1 1 1 1 1 3 1 1 3 3 1 3 1 1 P:y P:y D:yz P:y D:xy P:y D:x2-y2 P:x D:x2-y2 D:xy P:z P:x P:y P:y P:z D:yz P:x P:y D:x2-y2 D:xy P:y D:xz P:x P:z -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 11 12 9 15 6 14 2 11 1 5 22 27 39 40 28 10 12 19 3 7 18 1 28 27 O O W O W O W O W W O O O O O W O O W W O W O O -13.363 2.00 571 A 6.09 5.99 5.17 4.90 4.52 4.46 4.35 4.23 3.65 3.49 3.28 3.06 1.91 1.87 1.66 1.61 1.55 1.55 1.53 1.47 1.42 1.35 1.31 1.26 1.18 1.14 1.08 1.03 1.01 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 3 1 1 3 1 1 5 D:z2 D:z2 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y D:xz P:y P:x D:xz P:x D:yz D:yz D:yz P:x P:x D:yz P:y P:y P:z -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 0.094 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.00 10 9 24 21 27 30 12 11 29 28 22 23 38 37 26 3 25 31 2 32 6 7 8 28 29 5 23 22 10 W W O O O O O O O O O O O O O W O O W O W W W O O W O O W -13.316 2.00 572 A 3.61 3.48 3.44 3.28 3.28 3.27 3.12 3.12 3.08 3.07 3.04 3.03 2.98 2.97 2.94 2.91 2.90 2.88 2.87 2.84 2.83 2.81 2.80 2.68 2.64 2.62 2.60 2.52 1.90 1.81 1.42 1.29 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 1 1 1 1 1 3 1 3 3 1 3 1 3 3 3 3 P:z P:z P:z P:z P:x P:z P:y P:z P:z D:xz P:z P:y D:yz P:x D:yz D:xz P:y P:x P:y P:x P:y D:yz P:x D:xz D:yz P:y D:xz P:x D:xy D:xy D:x2-y2 D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 20 19 13 15 26 18 31 14 17 8 16 32 1 25 4 5 29 21 30 24 27 3 23 6 2 28 7 22 10 9 10 9 O O O O O O O O O W O O W O W W O O O O O W O W W O W O W W W W -13.263 2.00 573 A 10.09 8.84 6.90 4.77 4.43 4.02 3.78 3.61 3.16 2.65 2.54 2.22 2.21 2.20 2.12 1.96 1.80 1.77 1.74 1.59 1.36 1.32 1.13 1.07 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S S P:x P:x P:x P:z P:z S S S S S P:x P:z P:z P:z P:x P:y S P:z S P:z P:y P:y -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 213 209 96 88 214 218 213 188 221 113 97 87 105 95 217 214 218 210 209 210 106 207 118 222 222 221 C C H H C C C N C H H H H H C C C C C C H C H C C C -13.261 2.00 574 A 13.54 8.86 7.28 4.76 4.58 4.01 3.83 3.33 2.81 2.49 2.46 2.24 2.17 2.09 2.09 1.97 1.82 1.66 1.55 1.40 1.22 1.14 1.13 1.09 1.09 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x S S P:y P:x P:y P:y S S P:x S S P:z P:y S P:z P:x P:z P:x P:y P:x S P:y P:x S P:z -5.048 -5.048 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 197 193 60 52 202 187 198 205 77 51 201 61 59 193 206 69 198 194 197 195 194 205 70 201 191 82 192 C C H H C N C C H H C H H C C H C C C C C C H C C H C -13.261 2.00 575 A 9.92 7.73 7.05 5.13 4.76 4.64 3.61 3.60 3.19 2.76 2.70 2.65 2.35 2.33 2.30 2.11 1.83 1.63 1.62 1.51 1.28 1.27 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S P:x P:x S P:z P:z P:y P:y S P:z S S S S P:x P:x P:z P:y S P:z S -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 245 241 168 246 250 160 190 253 245 241 185 242 169 167 159 177 245 249 239 249 178 254 44 C C H C C H N C C C H C H H H H C C C C H C H -13.253 2.00 576 A 10.41 7.20 7.13 5.79 5.38 4.69 4.25 4.16 3.79 2.76 2.65 2.58 2.32 2.32 2.03 1.99 1.86 1.55 1.40 1.26 1.26 1.24 1.16 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S P:x P:x S P:y P:y P:z P:z S S S P:x S S P:z P:z P:y P:z P:x P:z S S -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 229 225 132 230 234 124 229 225 189 226 149 123 133 237 131 141 237 223 233 233 238 227 142 154 C C H C C H C C N C H H H C H H C C C C C C H H -13.203 2.00 577 A 5.61 5.60 5.17 5.09 5.04 5.01 4.12 4.05 4.05 4.02 4.01 3.95 3.89 3.80 3.45 3.43 2.15 2.13 2.13 2.04 1.20 1.19 1.18 1.17 1 1 3 3 1 1 1 3 1 1 3 1 1 1 1 1 1 1 1 1 4 4 1 1 P:x P:x D:x2-y2 D:x2-y2 P:y P:y P:y D:xy P:z P:y D:xy P:z P:z P:z P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:x -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 4.723 -9.955 -9.955 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 28 29 9 10 23 22 21 10 27 24 9 30 24 21 27 30 22 29 28 23 9 10 22 23 O O W W O O O W O O W O O O O O O O O O W W O O -13.121 2.00 578 A 10.94 7.21 4.06 3.85 3.77 3.59 3.36 3.28 2.97 2.29 2.07 2.06 1.95 1.92 1.92 1.90 1.71 1.59 1.58 1.56 1.54 1.54 1.51 1.51 1.25 1.14 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x S S S P:z P:z S P:z P:y P:y P:y P:y P:y S P:x P:y P:x P:x P:x S S P:x P:z S S S -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 212 216 93 94 102 208 220 86 212 208 211 214 216 218 112 215 220 210 222 188 106 100 218 207 83 90 110 C C H H H C C H C C C C C C H C C C C N H H C C H H H -13.112 2.00 579 A 12.51 4.34 4.13 4.10 4.09 3.88 3.70 3.41 3.35 3.05 2.46 2.24 1.84 1.72 1.69 1.68 1.60 1.47 1.47 1.45 1.37 1.32 1.31 1.29 1.25 1.24 1.24 1.23 1.07 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z S S S P:x S P:y P:y P:x P:y P:y P:x S S P:y P:z S P:y S P:z S P:z P:z S P:z P:y P:y S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 196 200 192 204 57 66 58 200 50 199 202 187 200 198 194 76 64 192 201 70 203 47 191 65 196 195 74 197 204 195 54 C C C C H H H C H C C N C C C H H C C H C H C H C C H C C C H -13.108 2.00 580 A 11.29 5.62 5.05 3.82 3.73 3.70 3.13 3.10 2.81 2.65 2.64 2.47 2.28 1.83 1.77 1.74 1.74 1.59 1.53 1.53 1.52 1.31 1.26 1.13 1.12 1.12 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x S S S P:z S P:y P:z P:x P:x P:x S P:x P:y P:y P:y P:y S S P:z S P:x S S S -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 228 224 232 129 138 130 232 122 236 189 228 236 231 148 234 234 227 223 230 142 136 226 119 238 146 126 137 C C C H H H C H C N C C C H C C C C C H H C H C H H H -13.108 2.00 581 A 8.44 6.63 5.88 5.63 3.98 3.85 3.57 3.30 2.80 2.00 1.89 1.77 1.73 1.67 1.67 1.58 1.56 1.53 1.46 1.43 1.39 1.32 1.24 1.13 1.09 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:z S S S S P:y P:x P:y P:z S P:y P:y P:y P:z S P:x S P:x P:y S P:x P:x S S P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 244 248 244 240 165 166 174 158 252 247 243 190 184 250 248 246 252 172 254 178 250 239 155 242 190 182 162 239 C C C C H H H H C C C N H C C C C H C H C C H C N H H C -12.905 2.00 582 A 5.34 5.33 5.10 5.08 4.96 4.58 4.55 4.49 3.87 3.51 2.22 2.04 2.04 2.03 2.01 1.90 1.83 1.63 1.59 1.45 1.33 1.30 1.25 1.21 1.17 1.15 1.15 1.10 1.09 1.08 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 3 3 3 1 3 1 1 1 3 1 1 1 1 P:x P:x P:y P:y P:y P:x P:y P:x P:z P:z P:y P:x D:xz D:yz D:xz P:x P:y D:yz D:yz D:yz P:z D:xz P:z P:z P:z D:xz P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 29 28 23 22 24 27 21 30 12 11 26 31 1 8 4 32 25 5 6 7 42 3 36 33 40 2 35 41 39 34 O O O O O O O O O O O O W W W O O W W W O W O O O W O O O O -12.882 2.00 583 A 4.30 4.18 4.17 4.08 4.04 4.02 4.00 3.95 2.99 2.86 2.53 2.38 2.34 2.33 1.92 1.83 1.82 1.82 1.76 1.66 1.62 1.59 1.58 1.46 1.36 1.34 1.32 1.30 1.24 1.20 1.16 1.03 1 1 1 1 1 1 1 1 3 3 1 1 3 3 1 1 1 1 1 3 3 3 1 1 3 1 1 1 1 3 3 3 P:y P:y P:x P:x P:x P:y P:x P:y D:xy D:xy P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:z P:x P:z D:xz D:xz D:yz P:x P:z D:yz P:y P:y P:z P:y D:yz D:xy D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 27 28 21 23 24 29 22 30 9 10 13 20 9 10 15 14 19 17 18 5 8 1 16 16 4 15 18 17 19 2 3 3 O O O O O O O O W W O O W W O O O O O W W W O O W O O O O W W W -12.731 2.00 584 A 6.47 6.32 5.61 5.36 2.72 2.47 2.39 2.25 2.22 2.19 2.17 1.85 1.82 1.71 1.64 1.39 1.33 1.30 1.29 1.21 1.19 1.18 1.12 1.09 1.08 1.05 1.04 1.04 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 3 3 1 3 3 3 3 3 1 3 1 P:y P:y P:y P:y P:z P:z P:x P:y P:y P:x P:x P:x P:z P:z P:x D:xz P:x P:x D:xz D:xz D:yz P:x D:xy D:xz D:xy D:x2-y2 D:yz P:x D:yz P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 20 17 13 16 18 15 25 32 31 26 32 31 14 19 17 5 16 20 8 4 7 13 8 2 5 7 6 19 4 25 O O O O O O O O O O O O O O O W O O W W W O W W W W W O W O -12.729 2.00 585 A 6.29 5.73 5.07 4.73 2.52 2.34 2.31 2.30 2.25 2.24 2.24 2.24 2.20 2.13 1.87 1.63 1.49 1.46 1.37 1.36 1.31 1.21 1.06 1.04 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 3 1 1 3 1 3 3 3 P:x P:x P:x P:x P:y P:z P:z P:z P:y P:x P:y P:x P:y P:z D:yz D:yz D:yz P:y D:yz P:y P:y D:x2-y2 P:y D:xz D:yz D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 18 19 15 14 31 13 20 17 32 25 25 26 26 16 3 2 7 18 6 19 15 4 14 7 5 1 O O O O O O O O O O O O O O W W W O W O O W O W W W -12.678 2.00 586 A 10.19 9.70 5.74 5.57 4.71 4.69 2.31 2.30 2.29 2.10 1.95 1.81 1.81 1.78 1.78 1.72 1.68 1.64 1.64 1.55 1.50 1.47 1.42 1.31 1.08 1.04 1.03 1.02 1 1 1 1 3 3 1 1 1 1 1 1 1 1 5 5 3 3 3 3 3 3 3 3 1 1 1 1 P:z P:z P:z P:z D:z2 D:z2 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:yz D:yz D:xz D:yz D:xz D:xz D:xz D:yz P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.094 0.094 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 11 12 37 38 9 10 29 22 28 23 24 27 21 30 9 10 5 8 1 6 2 4 3 7 25 26 32 31 O O O O W W O O O O O O O O W W W W W W W W W W O O O O -12.617 2.00 587 A 5.85 5.56 4.40 4.35 3.58 2.97 2.66 2.61 2.59 2.56 2.38 2.28 2.19 2.18 2.06 2.03 1.93 1.91 1.91 1.88 1.87 1.87 1.81 1.73 1.70 1.49 1.37 1.35 1.35 1.26 1.24 1.23 1.13 1.09 1 1 1 1 1 3 1 1 3 1 3 3 3 1 3 1 3 1 1 3 3 1 3 1 3 1 3 3 1 3 1 1 3 3 P:y P:y P:x P:x P:x D:xy P:y P:x D:xy P:y D:x2-y2 D:xy D:x2-y2 P:x D:xy P:x D:xy P:y P:y D:x2-y2 D:x2-y2 P:y D:xy P:y D:xy P:y D:x2-y2 D:x2-y2 P:x D:x2-y2 P:y P:x D:xy D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 19 15 20 13 17 1 16 16 8 18 8 3 2 42 6 40 4 35 33 6 4 14 7 20 5 36 3 7 41 1 34 18 2 5 O O O O O W O O W O W W W O W O W O O W W O W O W O W W O W O O W W -12.599 2.00 588 A 6.16 5.94 5.89 5.78 3.47 3.39 2.61 2.61 2.60 2.54 2.20 2.20 2.16 2.12 1.94 1.90 1.84 1.83 1.68 1.64 1.59 1.56 1.55 1.54 1.32 1.30 1.30 1.24 1.09 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:x P:z P:z P:z P:x S P:y P:x P:z P:x S S S P:y S P:z S S P:y S P:z P:z P:z P:x P:y S P:x P:z -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 101 220 216 212 216 207 217 110 216 208 215 211 94 112 89 220 108 210 85 103 219 87 218 222 211 214 210 111 221 221 H C C C C C C H C C C C H H H C H C H H C H C C C C C H C C -12.594 2.00 589 A 10.82 6.52 5.85 3.79 3.64 2.89 2.82 2.73 2.67 2.24 2.19 2.17 1.94 1.94 1.90 1.89 1.74 1.62 1.61 1.58 1.53 1.50 1.50 1.45 1.40 1.39 1.27 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:x P:z P:z P:x S P:z P:x P:y S S P:x P:x P:y S S S S P:x P:y P:x P:y S S P:y P:z P:z -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 232 137 236 223 227 224 146 228 228 236 130 148 233 226 226 121 125 144 123 234 235 237 232 139 147 231 229 238 C H C C C C H C C C H H C C C H H H H C C C C H H C C C -12.588 2.00 590 A 6.60 5.19 4.95 4.15 3.77 2.88 2.59 2.38 2.24 2.16 1.91 1.88 1.73 1.72 1.70 1.64 1.62 1.57 1.52 1.45 1.44 1.40 1.40 1.35 1.33 1.24 1.23 1.16 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:x P:z P:z P:x P:z P:x P:z S S S S P:y S S P:z P:x P:y S P:z P:x P:x S P:y P:x P:y P:x P:z P:z -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 248 173 252 244 239 249 248 240 243 182 161 166 175 242 180 184 254 253 252 159 247 242 243 157 251 251 248 246 250 245 C H C C C C C C C H H H H C H H C C C H C C C H C C C C C C -12.581 2.00 591 A 10.40 5.43 5.18 3.77 3.29 3.02 2.93 2.33 2.26 2.25 2.13 2.10 2.08 1.99 1.99 1.95 1.88 1.79 1.67 1.56 1.54 1.38 1.32 1.25 1.21 1.20 1.20 1.15 1.13 1.11 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:y P:x P:x P:z P:z S S P:z P:y P:z P:y P:x S S S S S P:z P:x P:y S P:z P:x S P:y P:z P:y P:z P:y -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 200 65 204 191 195 194 201 67 74 203 192 205 196 196 53 76 58 51 72 198 204 202 49 193 197 78 206 199 205 196 201 C H C C C C C H H C C C C C H H H H H C C C H C C H C C C C C -12.576 2.00 592 A 18.15 18.01 4.69 4.66 4.65 4.34 2.82 2.32 2.18 2.00 1.87 1.72 1.53 1.48 1.14 1.03 1.03 1 1 1 1 1 1 1 1 3 1 3 3 1 3 1 2 2 P:y P:y P:x P:y P:x P:y P:y P:y D:x2-y2 P:x D:x2-y2 D:xy P:x D:xy P:x S S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -27.198 -27.198 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 2.00 2.00 17 20 20 16 17 13 19 18 8 18 7 4 19 3 13 18 19 O O O O O O O O W O W W O W O O O -12.573 2.00 593 A 18.22 17.97 4.29 3.97 3.25 2.71 2.45 2.01 1.94 1.67 1.57 1.38 1.32 1.24 1.09 1.05 1 1 1 1 1 1 3 3 3 1 1 3 1 1 2 2 P:x P:x P:y P:y P:x P:x D:x2-y2 D:xy D:x2-y2 P:y P:x D:xy P:y P:x S S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -27.198 -27.198 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 2.00 2.00 19 18 18 19 20 17 3 7 4 20 14 8 17 15 17 20 O O O O O O W W W O O W O O O O -12.556 2.00 594 A 19.62 18.43 6.86 5.56 2.19 1.56 1.53 1.48 1.32 1.30 1.29 1.22 1.18 1.14 1.13 1.10 1.07 1.03 1 1 1 1 3 3 3 3 1 3 1 1 3 1 1 1 3 1 P:x P:x P:x P:x D:xy D:x2-y2 D:xy D:z2 P:y D:x2-y2 P:y P:y D:yz P:y P:z P:z D:yz P:z -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 15 14 13 16 6 2 5 5 26 1 25 14 7 15 14 16 5 23 O O O O W W W W O W O O W O O O W O -12.555 2.00 595 A 15.96 14.15 6.79 4.37 2.00 1.99 1.73 1.72 1.65 1.62 1.48 1.44 1.44 1.31 1.22 1.21 1.21 1.08 1.07 1.07 1.01 1 1 1 1 1 1 3 3 3 3 1 3 1 1 1 1 3 3 1 3 1 P:y P:y P:y P:y P:y P:x D:z2 D:xy D:xz D:x2-y2 P:x D:xz P:x P:z P:z P:z D:xz D:xz P:x D:xy P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 13 16 14 15 18 32 1 2 2 5 31 7 16 18 15 29 3 6 39 1 17 O O O O O O W W W W O W O O O O W W O W O -12.463 2.00 596 A 4.63 3.53 3.19 2.94 2.60 2.48 2.11 2.05 2.02 1.90 1.86 1.83 1.79 1.79 1.78 1.76 1.72 1.71 1.70 1.64 1.56 1.52 1.48 1.44 1.41 1.41 1.39 1.36 1.33 1.28 1.19 1.11 1.11 1.11 1.04 1 1 1 1 1 1 1 1 3 1 3 1 3 1 1 3 3 1 3 3 1 1 1 3 1 3 1 1 1 3 3 3 3 1 3 P:y P:x P:x P:x P:y P:y P:y P:x D:x2-y2 P:x D:xy P:y D:xy P:y P:y D:xy D:x2-y2 P:z D:xy D:xy P:x P:y P:x D:x2-y2 P:x D:xy P:z P:y P:x D:xy D:x2-y2 D:xz D:x2-y2 P:z D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 14 13 20 16 19 18 15 39 5 17 5 34 4 33 13 1 1 16 2 6 40 35 42 8 41 8 17 36 15 7 3 6 2 19 2 O O O O O O O O W O W O W O O W W O W W O O O W O W O O O W W W W O W -12.450 2.00 597 A 11.09 8.48 5.17 5.17 5.16 4.88 3.98 3.88 3.74 3.69 3.29 2.65 2.41 1.93 1.84 1.83 1.51 1.41 1.38 1.29 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y S S S S S P:x P:y P:z P:x S P:z P:z S P:z P:z S P:x P:z -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 249 253 241 176 175 45 159 186 249 242 244 253 166 190 246 162 254 250 43 245 252 C C C H H H H H C C C C H N C H C C H C C -12.447 2.00 598 A 10.67 8.02 5.40 5.21 5.20 4.93 4.32 3.89 3.21 2.74 2.27 2.16 2.06 1.80 1.63 1.63 1.59 1.52 1.41 1.30 1.26 1.20 1.18 1.06 1.05 1.05 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 P:y P:y P:y S S S S S P:x P:y S P:x P:z S P:z P:z P:z P:z S P:z P:y P:x P:z P:z P:x P:y P:y P:z -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -5.048 5.519 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.00 0.67 217 221 209 104 103 115 87 114 217 210 94 221 212 90 220 218 222 210 116 188 188 213 217 221 216 212 209 214 C C C H H H H H C C H C C H C C C C H N N C C C C C C C -12.445 2.00 599 A 13.21 9.89 5.51 4.99 4.65 4.31 3.95 3.83 3.26 2.91 2.83 2.53 2.53 2.53 2.03 1.84 1.49 1.39 1.36 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z S S S P:z S S P:x P:x S P:x P:x S S P:x P:y P:z P:x -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 201 205 193 68 79 67 194 51 78 196 206 58 202 198 54 80 200 187 197 194 C C C H H H C H H C C H C C H H C N C C -12.418 2.00 600 A 8.47 6.31 4.94 4.31 4.11 4.06 3.66 3.64 3.26 2.87 2.66 2.17 2.06 1.92 1.90 1.83 1.82 1.60 1.57 1.57 1.44 1.37 1.30 1.08 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y S S S S P:z P:z S P:z P:x S S P:z S P:x P:z P:y P:z P:z P:x P:y P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 233 237 225 226 151 140 123 139 230 228 150 238 233 126 130 234 152 229 233 234 189 232 237 238 237 C C C C H H H H C C H C C H H C H C C C N C C C C -12.387 2.00 601 A 5.35 4.83 4.70 4.32 4.05 3.76 3.67 3.34 3.30 3.29 3.08 2.86 2.42 2.34 2.31 2.18 1.99 1.97 1.90 1.79 1.78 1.64 1.61 1.57 1.46 1.38 1.38 1.33 1.32 1.28 1.15 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x S S S P:x P:z P:x S S P:z S S S P:x P:x S S P:y P:z P:y P:z P:y P:y P:z P:z P:z S P:y S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 220 216 215 219 84 107 100 217 207 221 111 102 216 101 103 114 208 207 85 110 207 215 211 219 209 215 217 218 222 108 219 113 C C C C H H H C C C H H C H H H C C H H C C C C C C C C C H C H -12.380 2.00 602 A 6.90 6.06 5.44 4.70 3.77 3.72 3.59 3.33 3.24 3.07 3.03 3.01 2.94 2.65 2.08 2.07 1.92 1.90 1.87 1.51 1.51 1.34 1.26 1.22 1.21 1.20 1.16 1.07 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x S S S P:x P:x S S P:x P:z S P:x S S S S P:z P:y P:y P:z P:z S P:z S P:z P:y P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 248 252 247 251 156 179 172 249 253 174 183 239 239 173 240 182 157 186 175 254 241 243 250 246 180 251 43 247 247 248 C C C C H H H C C H H C C H C H H H H C C C C C H C H C C C -12.360 2.00 603 A 6.57 5.93 5.91 5.54 5.49 4.57 4.37 4.29 3.63 3.52 3.40 3.09 2.81 2.39 1.95 1.88 1.57 1.39 1.19 1.16 1.12 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x S S S S S S S S S P:x S P:y S P:z P:y P:z -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 231 235 232 223 233 236 237 120 143 136 139 150 147 138 137 121 224 146 227 144 230 233 223 C C C C C C C H H H H H H H H H C H C H C C C -12.355 2.00 604 A 7.05 6.57 6.29 5.47 3.72 3.64 3.62 3.48 3.10 2.79 2.76 2.48 2.35 2.29 2.29 2.28 2.13 1.86 1.84 1.74 1.70 1.57 1.40 1.35 1.33 1.32 1.29 1.07 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y S P:y S S S S S P:y S S P:z S P:z P:y S P:z P:z P:x P:x P:z P:y P:z P:x S P:y P:x -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 199 191 203 200 48 204 71 64 75 66 65 201 78 49 200 67 201 205 74 205 195 204 206 192 196 204 198 80 197 202 C C C C H C H H H H H C H H C H C C H C C C C C C C C H C C -12.201 2.00 605 A 4.97 4.94 4.36 4.31 4.13 3.21 3.14 3.12 3.10 3.06 2.98 2.86 2.83 2.51 2.30 2.10 1.91 1.89 1.71 1.69 1.64 1.62 1.53 1.49 1.46 1.41 1.33 1.33 1.27 1.27 1.17 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x S P:y S P:y P:z P:y P:y S S S P:y P:z P:z P:x S P:x P:z S P:y S P:z P:z S P:y P:x S P:z P:y P:x P:y -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 242 254 162 250 43 249 245 253 252 178 44 185 248 246 254 250 184 242 253 176 254 180 243 239 45 244 249 161 247 251 251 241 C C H C H C C C C H H H C C C C H C C H C H C C H C C H C C C C -12.200 2.00 606 A 6.25 5.70 4.22 4.20 3.91 3.64 3.41 3.14 3.10 3.03 2.92 2.92 2.87 2.71 2.34 1.69 1.68 1.63 1.54 1.52 1.50 1.42 1.40 1.39 1.38 1.35 1.28 1.19 1.06 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y S P:y S P:y P:y P:y S P:y S P:x S P:z S S P:x P:z P:y S P:x S P:z P:y S P:x P:y P:z S P:z P:x -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 222 210 90 221 116 220 216 218 106 217 118 218 113 213 112 104 210 222 214 108 217 115 215 219 89 214 212 214 96 218 207 C C H C H C C C H C H C H C H H C C C H C H C C H C C C H C C -12.195 2.00 607 A 6.41 5.99 4.27 3.95 3.43 3.08 2.99 2.95 2.94 2.67 2.34 2.32 2.20 2.16 2.05 2.05 2.01 1.88 1.87 1.84 1.77 1.76 1.68 1.62 1.61 1.48 1.48 1.45 1.41 1.37 1.28 1.14 1.13 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y S P:y S S S S P:x P:y S P:z P:x P:z P:x P:z P:x P:y P:x P:z P:z P:y S S S P:y P:y P:z S P:z P:y P:z P:z P:z P:x -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 206 194 54 205 80 77 82 70 202 201 76 204 198 200 197 203 191 202 195 202 194 206 68 53 72 204 200 205 79 201 197 192 196 198 199 C C H C H H H H C C H C C C C C C C C C C C H H H C C C H C C C C C C -12.174 2.00 608 A 4.80 4.55 4.44 3.92 3.65 3.52 3.44 3.20 3.00 2.90 2.75 2.63 2.63 2.61 2.54 2.38 2.34 2.33 2.03 1.97 1.93 1.90 1.57 1.53 1.45 1.36 1.29 1.19 1.17 1.07 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z S S P:y P:y P:y P:z S S P:x S P:z P:y P:z P:z S S P:y P:x P:y S P:y S P:z S P:x P:x S P:z -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 234 226 238 126 152 236 233 232 230 142 154 226 149 229 237 223 227 148 144 228 238 238 140 235 125 237 151 237 224 132 234 C C C H H C C C C H H C H C C C C H H C C C H C H C H C C H C -12.060 2.00 609 A 8.54 6.89 5.87 4.57 4.11 3.73 3.09 2.94 2.92 2.86 2.77 2.73 2.53 2.34 2.33 2.24 2.02 1.88 1.74 1.63 1.43 1.34 1.32 1.18 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:z P:x P:x P:z P:z P:y P:y P:y S S S P:x S S S P:z P:x P:y P:x P:z P:x P:x P:z P:y -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 108 219 215 210 211 219 222 211 214 215 83 109 99 219 89 116 113 207 217 222 207 218 218 221 213 221 H C C C C C C C C C H H H C H H H C C C C C C C C C -12.055 2.00 610 A 7.63 6.31 4.92 4.64 4.34 3.77 3.44 3.16 2.49 2.42 2.40 2.18 1.96 1.94 1.92 1.80 1.79 1.73 1.64 1.29 1.13 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x P:z P:x P:x P:y P:z P:y S S S S P:x S S P:z P:y P:x P:x P:z S P:x -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 180 251 242 254 251 243 247 247 246 43 161 155 171 250 181 185 239 243 249 253 245 177 247 H C C C C C C C C H H H H C H H C C C C C H C -12.052 2.00 611 A 2.56 2.54 2.47 2.42 2.41 2.37 2.35 2.29 2.25 2.18 2.17 2.16 2.11 2.07 1.99 1.93 1.88 1.84 1.73 1.58 1.56 1.50 1.49 1.48 1.46 1.45 1.43 1.43 1.42 1.36 1.33 1.33 1.26 1.19 1.08 1.08 1.07 1.06 1.04 1.03 1.02 1 1 1 3 1 3 3 1 1 3 1 3 3 3 1 3 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 1 3 3 1 P:z P:z P:y D:yz P:z D:yz D:yz P:z P:y D:yz P:z D:xz D:xz D:yz P:y D:yz P:z P:y P:y P:y P:y P:y P:y P:z D:yz P:x P:x P:x D:yz P:x P:y P:z P:y P:y P:y P:x P:z P:z D:yz D:xy P:y -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 22 23 24 6 16 9 10 17 21 7 21 10 9 5 22 8 24 40 23 41 37 42 38 13 3 13 37 38 2 20 39 20 29 28 27 40 42 39 1 1 30 O O O W O W W O O W O W W W O W O O O O O O O O W O O O W O O O O O O O O O W W O -12.047 2.00 612 A 2.66 2.51 2.47 2.30 2.27 2.10 2.05 2.04 2.03 1.99 1.77 1.63 1.60 1.55 1.54 1.51 1.48 1.43 1.38 1.36 1.36 1.35 1.34 1.28 1.27 1.26 1.23 1.22 1.19 1.11 1.10 1.07 1.05 1 1 1 3 1 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 1 1 1 3 1 1 3 1 1 1 1 1 1 P:z P:z P:x D:xz P:x D:xz D:yz D:xz D:xz D:yz P:z P:x P:x P:z P:z P:z P:z P:z D:xz D:xz P:x P:x P:x D:xz P:y P:y D:xz P:x P:x P:x P:x P:y P:x -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 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238 227 224 141 236 232 153 H C C C C C C C H H H C H C H C C C H C C C C C H C C H -12.033 2.00 614 A 11.15 8.39 5.45 4.22 3.55 3.02 2.94 2.88 2.79 2.70 2.45 2.40 2.39 2.25 2.14 2.04 1.99 1.93 1.74 1.69 1.67 1.54 1.29 1.21 1.18 1.15 1.13 1.11 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S P:z P:z P:x P:y S P:z P:x P:x S S P:y P:z S P:y P:z P:x S S P:y P:y P:x P:z S P:y P:z P:z S P:y -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 203 72 199 195 191 206 80 198 195 206 47 53 205 202 63 194 194 199 73 77 201 202 194 204 69 199 192 200 81 203 C H C C C C H C C C H H C C H C C C H H C C C C H C C C H C -11.937 2.00 615 A 9.53 6.79 5.59 4.50 4.13 4.07 3.81 3.65 2.72 2.68 2.57 2.51 2.46 2.25 2.06 1.84 1.73 1.70 1.58 1.47 1.46 1.35 1.31 1.30 1.22 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y S P:y S P:z S S P:x P:y P:y S P:y P:y P:z P:z P:x S S S P:z S S P:z S P:z -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 222 218 207 117 215 116 214 109 105 219 219 220 112 216 188 210 211 210 89 83 84 212 85 99 208 97 188 C C C H C H C H H C C C H C N C C C H H H C H H C H N -11.931 2.00 616 A 4.49 4.23 3.76 3.51 3.49 3.36 3.34 3.14 2.90 2.79 2.77 2.52 2.33 2.28 2.27 2.16 2.12 2.03 1.65 1.65 1.62 1.59 1.51 1.39 1.38 1.37 1.37 1.26 1.16 1.16 1.13 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S S P:x P:z P:z P:y P:x P:x P:y S P:z P:x S P:y P:z P:z S P:z P:y S P:z S P:y S P:y S P:y P:y S P:z -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 206 81 73 80 198 199 191 202 202 206 194 76 187 203 69 191 203 204 63 195 200 47 206 61 197 48 203 49 201 199 50 200 C H H H C C C C C C C H N C H C C C H C C H C H C H C H C C H C -11.930 2.00 617 A 7.16 5.59 5.50 4.36 4.34 4.13 3.95 3.89 3.40 2.62 2.50 2.39 2.06 1.94 1.91 1.60 1.58 1.48 1.46 1.46 1.37 1.37 1.34 1.26 1.21 1.14 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:y S P:y P:z S S P:y P:y S S S P:x P:x S S S P:y P:z P:x P:y S S P:z S -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 254 239 250 251 46 247 246 181 43 190 252 177 184 155 242 251 171 156 157 248 242 254 243 161 169 244 179 C C C C H C C H H N C H H H C C H H H C C C C H H C H -11.927 2.00 618 A 5.31 4.63 4.45 4.07 4.06 4.05 4.01 3.97 3.87 3.45 2.86 2.79 2.76 2.63 2.42 2.27 1.79 1.62 1.57 1.56 1.38 1.35 1.13 1.09 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x S S P:z P:y S P:z P:z P:y P:x P:y P:x S S S S S P:y S P:y S S S -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 223 235 238 153 145 238 231 152 230 234 189 234 236 226 141 148 119 135 120 227 121 232 133 125 122 C C C H H C C H C C N C C C H H H H H C H C H H H -11.894 2.00 619 A 9.16 9.14 7.70 7.68 4.99 4.80 3.82 3.76 3.74 3.74 3.69 3.60 2.97 2.95 2.47 2.41 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 P:z P:z P:z P:z P:y P:y P:y P:x P:x P:y P:x P:x D:x2-y2 D:x2-y2 D:xy D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 26 25 31 32 23 22 21 27 30 24 29 28 9 10 10 9 O O O O O O O O O O O O W W W W -11.868 2.00 620 A 4.74 4.51 4.19 4.00 3.90 3.78 3.56 3.37 2.62 2.55 2.50 2.33 2.22 2.20 1.89 1.85 1.67 1.67 1.65 1.65 1.52 1.37 1.27 1.19 1.11 1.07 1.04 1.04 1.03 1 1 1 1 1 1 1 1 1 3 3 3 3 1 3 3 1 1 3 1 3 1 3 3 1 3 1 3 1 P:x P:z P:z P:z P:x P:z P:x P:y P:y D:xz D:xz D:xz D:xz P:z D:xz D:yz P:z P:x D:xz P:x D:yz P:x D:yz D:yz P:z D:xz P:z D:xz P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 26 20 13 17 31 16 25 32 31 3 8 1 6 42 5 4 22 32 7 24 2 21 1 3 33 4 29 2 27 O O O O O O O O O W W W W O W W O O W O W O W W O W O W O -11.863 2.00 621 A 5.54 5.41 4.42 4.42 4.30 4.23 3.46 3.25 3.09 3.03 2.97 2.95 2.07 1.97 1.96 1.82 1.78 1.70 1.68 1.58 1.54 1.48 1.46 1.46 1.28 1.21 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 3 3 1 1 1 1 P:z P:z P:x P:y P:y P:x P:x P:x P:z P:z P:z P:z P:z D:yz P:y P:y P:x P:y D:yz P:x P:z D:yz D:yz P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 31 32 30 22 23 27 29 28 26 25 15 18 36 6 30 27 25 32 4 26 33 7 1 31 26 40 24 O O O O O O O O O O O O O W O O O O W O O W W O O O O -11.861 2.00 622 A 4.73 4.39 3.84 3.72 3.61 3.30 2.75 2.64 2.61 2.52 2.50 2.25 2.18 2.05 1.86 1.73 1.71 1.68 1.64 1.61 1.59 1.56 1.55 1.55 1.51 1.50 1.50 1.48 1.41 1.40 1.35 1.27 1.26 1.10 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 3 3 1 1 1 1 1 1 3 3 1 3 1 1 3 3 P:y P:y P:z P:z P:z P:z P:z P:z P:x P:y P:x P:y P:y D:yz P:x P:x P:y P:z P:z D:yz D:xz P:z P:y P:x P:z P:y P:z D:yz D:yz P:x D:xz P:z P:z D:xz D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 24 21 25 26 19 14 32 31 28 32 29 26 31 8 23 22 28 18 34 2 7 15 25 25 30 29 42 5 3 26 6 27 35 2 5 O O O O O O O O O O O O O W O O O O O W W O O O O O O W W O W O O W W -11.824 2.00 623 A 5.93 5.73 4.05 4.03 3.94 3.90 3.65 3.62 3.35 3.34 3.03 2.92 2.61 2.53 2.52 2.40 2.37 2.28 2.24 1.96 1.90 1.57 1.45 1.42 1.38 1.33 1.21 1.18 1.05 1.04 1.00 1 1 1 1 1 3 3 3 3 1 1 1 3 1 3 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 P:y P:x P:x P:y P:z D:yz D:xz D:yz D:xz P:z P:z P:z D:xz P:z D:yz P:z D:yz D:xz P:z P:z P:z P:y P:y P:z P:z P:x P:x P:z P:z P:x D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 25 32 31 26 39 7 2 5 4 36 33 41 3 34 6 42 8 1 35 40 23 31 41 21 28 34 35 29 30 25 1 O O O O O W W W W O O O W O W O W W O O O O O O O O O O O O W -11.760 2.00 624 A 6.94 4.80 4.78 4.72 4.67 4.48 3.93 3.69 3.39 3.21 2.86 2.25 1.74 1.73 1.65 1.59 1.54 1.48 1.44 1.41 1.38 1.27 1.26 1.23 1.11 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y S P:x S P:x S S S P:y P:x S P:y P:y P:x S S S P:x S S P:x P:z S -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 220 216 207 212 111 208 83 219 112 107 85 208 220 86 219 221 215 113 102 100 207 93 109 210 216 92 C C C C H C H C H H H C C H C C C H H H C H H C C H -11.744 2.00 625 A 6.18 5.38 5.24 4.81 4.38 4.35 4.22 3.58 3.53 2.77 2.60 2.42 2.19 1.68 1.63 1.52 1.47 1.47 1.45 1.44 1.31 1.27 1.22 1.11 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y S P:x P:y P:z S S S S S P:x P:x P:z P:x P:z S S P:z S P:y P:x P:z S -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 236 232 223 147 235 228 224 119 148 143 121 122 231 224 189 236 226 138 129 236 136 238 227 234 149 C C C H C C C H H H H H C C N C C H H C H C C C H -11.742 2.00 626 A 6.14 5.23 5.07 4.53 4.11 4.10 4.07 3.57 3.36 2.93 2.69 1.93 1.78 1.72 1.69 1.62 1.45 1.36 1.30 1.23 1.21 1.20 1.15 1.11 1.11 1.11 1.08 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y S S P:x P:x S S S P:x P:y S P:x P:y S S S S S P:y P:x P:x P:x S P:z S P:x -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 252 248 239 244 155 183 240 251 179 157 184 247 240 185 252 251 174 172 158 164 160 253 243 249 239 181 241 165 253 C C C C H H C C H H H C C H C C H H H H H C C C C H C H C -11.739 2.00 627 A 8.35 6.00 5.24 4.83 4.56 3.96 3.79 3.40 3.38 3.18 3.12 2.94 2.87 2.64 2.23 2.12 1.64 1.45 1.44 1.39 1.30 1.28 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y S P:z S P:z P:z P:x S S P:y S P:y S P:x S S P:x S S P:y P:y S -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 204 200 203 75 196 47 192 191 192 76 49 199 71 191 50 194 66 64 187 73 57 205 195 77 C C C H C H C C C H H C H C H C H H N H H C C H -11.664 2.00 628 A 6.11 4.72 4.05 3.93 3.76 3.39 3.24 2.84 2.76 2.76 2.65 2.24 2.19 2.11 2.07 1.99 1.93 1.85 1.62 1.58 1.57 1.55 1.55 1.51 1.51 1.48 1.28 1.21 1.09 1.09 1.08 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 P:x S S S P:z P:z S P:x P:x P:x P:x P:y P:x S P:x S P:y P:y P:y P:y P:y S P:y P:z P:y S S P:z S S P:z P:z P:z -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 5.519 -5.048 5.519 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.00 0.67 0.00 222 118 86 113 208 209 88 218 221 210 217 222 188 90 214 117 221 210 220 219 216 112 188 212 213 106 98 220 103 89 209 221 208 C H H H C C H C C C C C N H C H C C C C C H N C C H H C H H C C C -11.659 2.00 629 A 5.97 4.83 4.81 4.47 3.52 3.51 3.27 3.07 2.98 2.87 2.81 2.72 2.54 2.33 2.15 2.06 2.03 1.88 1.83 1.63 1.40 1.37 1.34 1.23 1.14 1.11 1.06 1.05 1.03 1.02 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 P:x P:z S S S P:z P:y S P:x P:x P:x P:x P:x P:y P:x S S P:y S P:y S S P:y S P:y P:z P:z S P:y S P:z P:z -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -5.048 5.519 -5.048 -6.581 -5.048 -6.581 -5.048 5.519 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.00 0.67 1.00 0.67 1.00 0.67 0.00 254 240 44 158 185 241 252 160 253 242 250 249 190 254 246 162 184 248 46 242 170 178 190 183 251 241 253 175 253 161 244 240 C C H H H C C H C C C C N C C H H C H C H H N H C C C H C H C C -11.655 2.00 630 A 6.27 6.13 4.31 4.17 4.12 4.04 3.66 3.44 3.42 3.34 3.13 2.59 2.44 2.12 1.94 1.92 1.89 1.69 1.54 1.31 1.26 1.18 1.16 1.13 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y S S S P:x P:y P:y S P:y P:x P:y S P:y S P:z P:x P:y P:y S S S S S P:y -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 206 205 77 52 82 193 201 194 50 187 192 202 81 198 54 204 206 203 197 70 67 76 71 62 195 C C H H H C C C H N C C H C H C C C C H H H H H C -11.635 2.00 631 A 5.96 4.98 4.53 4.20 4.19 4.05 3.82 3.47 3.18 2.51 2.29 2.21 2.18 2.11 1.99 1.98 1.79 1.68 1.50 1.46 1.42 1.40 1.35 1.22 1.21 1.11 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x S P:z S S P:x P:z S S P:x P:x P:x P:x S P:y P:y P:y P:y P:y P:y S S S P:z P:y S -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 238 237 149 225 124 154 233 224 122 153 226 230 234 189 126 226 238 189 236 237 235 139 142 143 229 234 148 C C H C H H C C H H C C C N H C C N C C C H H H C C H -11.506 2.00 632 A 9.70 6.23 5.17 4.94 4.77 3.89 3.60 3.50 2.76 2.12 2.10 2.06 1.87 1.83 1.73 1.67 1.65 1.64 1.62 1.62 1.61 1.52 1.35 1.33 1.24 1.24 1.16 1.07 1.07 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:x P:z S S P:x S S P:z P:z P:y P:x P:y P:y P:x P:y P:z P:y S S P:x P:z S P:y S P:x P:z S P:z P:x P:y -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 5.519 -5.048 -6.581 -5.048 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.00 0.67 1.00 0.67 0.67 0.67 213 221 217 110 88 209 96 114 220 208 209 222 220 212 220 208 212 188 86 117 216 214 115 218 97 213 207 94 221 212 210 C C C H H C H H C C C C C C C C C N H H C C H C H C C H C C C -11.499 2.00 633 A 6.37 5.78 5.71 5.05 4.99 4.79 4.46 4.40 4.23 4.09 3.59 3.58 2.31 2.28 2.07 1.91 1.70 1.65 1.42 1.42 1.25 1.24 1.17 1.13 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y S P:x P:x S P:y P:y P:x S S P:z P:y P:x P:y S P:z S S P:z P:z S S S -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 204 205 197 74 197 201 52 196 192 193 78 60 193 205 200 201 50 187 79 81 206 198 61 59 58 C C C H C C H C C C H H C C C C H N H H C C H H H -11.495 2.00 634 A 9.15 6.46 5.56 4.57 4.48 3.81 3.56 3.21 2.60 2.50 2.34 2.33 2.09 1.88 1.55 1.48 1.44 1.39 1.37 1.26 1.24 1.23 1.20 1.09 1.08 1.06 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:z P:x S S S S P:x P:z P:z P:x P:z P:x P:z S S P:z P:y P:x P:x S S P:x P:x P:y S P:y P:z -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 5.519 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.00 0.67 0.67 1.00 0.67 0.67 245 249 253 160 182 186 168 241 252 241 252 240 254 244 158 46 253 190 244 248 45 169 245 240 253 166 245 250 C C C H H H H C C C C C C C H H C N C C H H C C C H C C -11.487 2.00 635 A 5.86 5.70 5.20 5.02 4.39 3.86 3.29 3.25 3.09 3.01 2.76 2.29 2.24 2.13 2.08 2.04 1.95 1.62 1.50 1.48 1.48 1.42 1.37 1.31 1.30 1.23 1.12 1.11 1.07 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:z P:x P:z S P:x S P:x S P:z P:x P:y P:z S P:x P:y P:z P:z P:y S S S P:z P:x P:y S S P:x P:y P:z -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 0.67 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 229 146 233 236 225 124 228 132 224 150 237 237 237 229 122 238 229 232 224 189 153 151 130 236 230 228 131 133 223 232 234 C H C C C H C H C H C C C C H C C C C N H H H C C C H H C C C -11.474 2.00 636 A 9.20 8.75 6.70 6.39 3.90 3.73 3.63 3.42 2.68 2.61 2.51 2.50 2.33 2.32 2.15 1.97 1.54 1.26 1.25 1.15 1.14 1.07 1.01 1.00 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y D:z2 P:z P:z D:z2 P:y D:z2 D:z2 P:y P:y P:x P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 24 23 22 23 22 40 41 21 24 6 42 39 7 42 8 5 40 25 22 23 26 36 37 O O O O O O O O O O W O O W O W W O O O O O O O -11.471 2.00 637 A 9.24 9.15 6.62 6.52 4.85 4.82 3.66 3.38 2.53 2.51 2.48 2.43 1.94 1.89 1.87 1.79 1.64 1.47 1.12 1.12 1.09 1.01 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 3 3 1 1 1 1 1 P:z P:z P:z P:z P:x P:x P:z P:z P:z D:z2 P:z D:z2 P:x P:x P:x D:z2 D:z2 P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 27 30 28 29 29 28 35 34 36 3 33 2 36 30 27 4 1 33 31 32 42 37 O O O O O O O O O W O W O O O W W O O O O O -11.441 2.00 638 A 9.30 8.48 5.64 5.24 5.15 5.09 3.10 2.88 2.86 2.48 2.42 2.03 1.41 1.38 1.35 1.34 1.18 1.01 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 2 1 1 P:z P:z P:y P:x P:y P:x P:y P:y P:x P:x D:z2 D:z2 P:x P:x P:y S P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -27.198 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 2.00 1.33 1.33 38 37 41 35 42 36 40 39 34 33 10 9 31 32 26 12 25 20 O O O O O O O O O O W W O O O O O O -11.338 2.00 639 A 9.39 7.55 7.49 6.57 6.03 5.85 5.75 5.55 1.52 1.39 1.33 1.20 1.14 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:y P:x P:y P:x P:x P:y P:z P:x P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 42 33 39 34 41 35 36 34 37 42 14 40 36 O O O O O O O O O O O O O O -11.293 2.00 640 A 6.13 5.32 5.18 5.02 4.33 3.76 3.64 3.14 2.98 2.90 2.56 2.50 2.39 2.10 2.03 1.90 1.89 1.80 1.67 1.65 1.61 1.39 1.33 1.29 1.25 1.21 1.17 1.13 1.09 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 P:x P:z P:z S S P:x P:x P:z P:x P:y S P:y P:y P:y P:x P:y S P:z P:z S P:z S P:x S S S P:z P:y S P:y -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 5.519 -6.581 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 209 219 211 114 110 221 213 220 215 221 107 212 220 208 207 213 83 216 208 88 212 92 209 86 91 115 217 188 94 215 C C C H H C C C C C H C C C C C H C C H C H C H H H C N H C -11.288 2.00 641 A 5.10 4.64 4.26 4.01 3.89 3.58 3.14 2.92 2.56 2.47 2.37 2.21 2.13 2.09 1.81 1.70 1.58 1.47 1.43 1.33 1.29 1.28 1.22 1.20 1.18 1.18 1.15 1.15 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 P:x P:z S S P:z P:z P:x P:x P:x P:y P:z P:z P:y S P:y P:z S S P:y S S S P:x S S P:x P:y P:z P:y -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -9.955 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 5.519 -5.048 -5.048 -5.048 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.33 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.00 0.67 0.67 0.67 241 251 186 182 243 252 245 253 247 253 244 240 40 179 245 248 155 160 244 163 45 158 239 164 166 241 252 239 240 C C H H C C C C C C C C O H C C H H C H H H C H H C C C C -11.267 2.00 642 A 3.57 3.44 3.05 2.99 2.66 2.65 2.34 2.04 1.92 1.80 1.69 1.59 1.50 1.36 1.33 1.32 1.26 1.24 1.19 1.14 1.06 1.06 1.04 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:z S P:y P:z P:y P:x P:x P:y S P:x P:y P:x P:x P:y P:y P:x S S S P:z P:x S P:z -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -9.955 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.33 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 204 78 205 74 196 197 192 193 200 203 71 191 195 205 203 42 193 199 47 52 150 199 195 50 193 C H C H C C C C C C H C C C C O C C H H H C C H C -11.267 2.00 643 A 3.83 2.76 2.74 2.35 2.19 2.17 2.11 1.82 1.81 1.77 1.76 1.65 1.59 1.50 1.45 1.42 1.39 1.34 1.33 1.31 1.20 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:x P:z P:z P:z P:x P:x P:x S P:z P:x P:z P:z P:z S P:z P:z S P:x P:x P:y -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 150 225 146 229 237 225 235 227 236 237 143 231 235 236 232 227 124 223 229 119 228 224 237 H C H C C C C C C C H C C C C C H C C H C C C -11.265 2.00 644 A 5.72 4.79 4.29 4.24 3.71 3.59 3.52 3.21 3.10 3.04 2.47 2.26 2.25 2.14 1.95 1.42 1.37 1.36 1.29 1.23 1.13 1.10 1 1 1 1 1 1 1 1 1 3 3 1 3 1 1 3 1 3 1 1 1 1 P:y P:y P:y P:y P:y P:x P:y P:y P:y D:xy D:xy P:y D:x2-y2 P:x P:x D:x2-y2 P:y D:yz P:z P:z P:y S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -5.048 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.67 1.00 42 35 41 19 20 36 18 36 17 4 3 38 3 42 41 4 12 10 24 23 204 78 O O O O O O O O O W W O W O O W O W O O C H -11.261 2.00 645 A 7.48 5.74 5.49 5.15 5.02 4.90 4.68 4.15 4.03 3.62 3.39 3.38 2.93 2.65 2.61 2.20 2.08 1.87 1.71 1.66 1.42 1.03 1.00 1 1 1 1 1 1 1 1 3 1 3 1 1 3 1 1 3 1 3 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x D:xy P:y 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2 11 39 9 41 22 25 O O O O O W O O O O O W W O W O O W O O O -11.240 2.00 647 A 8.18 5.63 5.51 5.50 5.23 4.60 4.32 3.95 3.81 3.45 2.92 2.78 2.61 2.44 2.43 1.77 1.75 1.53 1.31 1.14 1.12 1.06 1 1 1 1 1 1 1 1 3 3 1 1 3 3 1 1 1 3 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x D:xy D:xy P:x P:y D:x2-y2 D:x2-y2 P:y P:x P:y D:xz P:y P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 33 39 40 34 16 13 14 15 6 5 37 40 6 5 33 11 34 9 39 28 35 21 O O O O O O O O W W O O W W O O O W O O O O -11.210 2.00 648 A 17.58 13.68 13.24 12.79 2.78 2.53 2.50 1.90 1.47 1.25 1.18 1.18 1.04 1.03 1 1 1 1 1 1 1 1 1 1 3 2 3 3 P:y P:y P:x P:x P:y P:x P:z P:x P:z P:y D:x2-y2 S D:xy D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -27.198 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 2.00 0.80 0.80 41 42 36 35 36 42 41 41 35 35 4 41 3 7 O O O O O O O O O O W O W W -11.202 2.00 649 A 13.82 12.69 4.86 4.65 3.29 3.04 2.31 2.04 2.00 1.96 1.68 1.44 1.41 1.32 1.24 1.23 1.18 1.17 1.02 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 P:z P:z P:y P:x P:x P:x P:x P:z P:z P:y D:z2 P:z P:y D:z2 P:z P:x P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 38 37 39 36 33 35 34 35 34 40 10 40 26 9 11 32 12 31 33 O O O O O O O O O O W O O W O O O O O -11.179 2.00 650 A 13.40 11.32 10.23 7.02 2.11 1.95 1.94 1.90 1.77 1.73 1.70 1.66 1.63 1.58 1.31 1.26 1.14 1.09 1.05 1.02 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 3 3 1 3 3 P:y P:x P:x P:y P:y P:y P:y P:x P:x D:x2-y2 P:x P:y P:y P:x P:z D:x2-y2 D:xy P:x D:xy D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 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3.55 3.15 2.96 2.75 2.69 2.65 2.55 2.35 2.31 2.28 2.27 2.13 2.13 2.07 1.94 1.88 1.73 1.70 1.58 1.56 1.46 1.45 1.43 1.42 1.37 1.36 1.28 1.15 1.13 1.12 1.10 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z P:z P:x P:z S S P:y S P:z P:z P:x P:y P:x P:y P:x P:x S P:z S P:y P:y S P:y S P:y S P:x S P:y P:z S S S S P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 5.519 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.00 211 219 221 207 84 114 222 109 222 214 188 214 215 210 209 213 91 216 117 212 220 92 215 98 208 90 218 97 218 217 118 93 116 108 211 C C C C H H C H C C N C C C C C H C H C C H C H C H C H C C H H H H C -11.124 2.00 653 A 3.80 3.69 3.57 3.28 3.19 3.15 2.77 2.74 2.35 2.27 2.21 2.14 1.90 1.81 1.74 1.71 1.58 1.47 1.38 1.37 1.30 1.28 1.22 1.20 1.18 1.12 1.09 1.07 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:y P:x P:z S S S P:y P:x P:x P:x P:z S S P:x S P:z S P:y P:z S P:y S S P:z P:y S P:z -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 254 243 251 246 253 239 156 186 181 242 190 241 245 250 163 46 247 162 252 170 251 248 169 244 164 44 249 243 43 254 C C C C C C H H H C N C C C H H C H C H C C H C H H C C H C -11.120 2.00 654 A 4.76 3.91 3.20 2.89 2.59 2.58 2.41 2.25 2.11 1.95 1.89 1.86 1.66 1.56 1.54 1.54 1.54 1.50 1.49 1.41 1.37 1.30 1.25 1.22 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:x P:z S P:x S S P:x P:z S S S P:x S P:x P:z S S P:y P:z P:z S S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 206 198 203 195 194 48 202 78 73 191 199 55 62 81 199 82 205 195 54 56 191 203 202 61 80 C C C C C H C H H C C H H H C H C C H H C C C H H -11.117 2.00 655 A 3.78 3.27 2.78 2.76 2.76 2.73 2.57 2.54 2.29 2.15 2.14 1.79 1.77 1.76 1.71 1.67 1.66 1.59 1.50 1.46 1.41 1.40 1.39 1.32 1.21 1.20 1.19 1.18 1.05 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z S S P:z P:z S P:x P:z S P:y P:x P:x P:y P:z P:x P:y S S S P:z P:z S P:z P:x S S S P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 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90 216 86 214 208 222 222 220 89 219 98 116 118 113 214 220 208 97 209 88 211 117 221 101 212 218 112 107 214 215 218 N C C H C H C C C C C H C H H H H C C C H C H C H C H C C H H C C C -10.921 2.00 661 A 3.66 3.64 3.26 3.13 2.94 2.92 2.86 2.57 2.31 2.13 1.91 1.90 1.76 1.71 1.70 1.70 1.67 1.65 1.59 1.54 1.49 1.34 1.28 1.14 1.13 1.10 1.08 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:z P:z P:y P:z P:z P:x P:x S D:xz P:y D:xz P:z P:x P:y S P:x P:z P:z P:z P:x P:y P:y S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -7.353 -5.048 -9.955 -9.955 -6.581 -4.382 -5.048 -4.382 -5.048 -9.955 -5.048 -6.581 -9.955 -5.048 -5.048 -9.955 -9.955 -9.955 -9.955 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.00 0.67 1.33 1.33 1.00 0.80 0.67 0.80 0.67 1.33 0.67 1.00 1.33 0.67 0.67 1.33 1.33 1.33 1.33 1.00 28 29 30 27 32 31 34 35 242 190 248 38 37 158 10 246 9 240 36 254 162 34 252 251 28 33 37 38 161 O O O O O O O O C N C O O H W C W C O C H O C C O O O O H -10.919 2.00 662 A 5.37 5.33 5.32 5.24 4.72 4.63 4.08 3.35 3.25 3.24 3.15 2.90 2.87 2.16 2.11 1.81 1.70 1.45 1.38 1.31 1.31 1.29 1.27 1.25 1.24 1.24 1.16 1.12 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 3 3 1 3 1 1 3 P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y D:yz D:yz P:y P:y P:z P:y P:z P:x P:x P:y D:xz D:xz P:y D:yz P:y P:y D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 22 23 21 24 26 25 41 40 37 39 38 9 10 42 41 23 40 22 37 38 29 10 9 30 7 28 27 6 O O O O O O O O O O O W W O O O O O O O O W W O W O O W -10.913 2.00 663 A 3.54 3.18 2.77 2.72 2.71 2.57 2.56 2.39 2.37 2.32 2.22 2.21 2.05 1.99 1.93 1.84 1.79 1.72 1.68 1.62 1.59 1.51 1.41 1.30 1.21 1.14 1.10 1.10 1.07 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:z S P:y P:z P:y P:x S P:x P:x P:x P:x P:x P:x P:z P:z D:xz D:xz S P:x P:z S P:z S P:z S S P:z -5.048 -7.353 -9.955 -9.955 -5.048 -6.581 -5.048 -5.048 -5.048 -9.955 -6.581 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -5.048 -4.382 -4.382 -6.581 -9.955 -5.048 -6.581 -9.955 -6.581 -9.955 -6.581 -6.581 -5.048 0.67 1.00 1.33 1.33 0.67 1.00 0.67 0.67 0.67 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.67 0.67 0.80 0.80 1.00 1.33 0.67 1.00 1.33 1.00 1.33 1.00 1.00 0.67 242 190 28 29 248 158 246 240 254 33 162 32 27 31 30 37 38 252 251 9 10 161 36 242 170 27 185 30 43 44 241 C N O O C H C C C O H O O O O O O C C W W H O C H O H O H H C -10.905 2.00 664 A 6.32 4.51 4.31 4.26 3.99 3.96 3.89 3.85 3.78 2.59 2.16 2.09 1.93 1.83 1.76 1.74 1.63 1.61 1.61 1.41 1.34 1.29 1.25 1.14 1.10 1.09 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:y P:y P:z P:y P:z S P:z S P:z S S P:z P:z S S S P:y P:z S P:z P:x S S S P:x P:y S S -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 5.519 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.00 1.00 1.00 226 230 224 238 189 126 232 122 236 125 134 225 234 154 152 149 189 235 124 231 226 133 148 137 237 230 143 153 C C C C N H C H C H H C C H H H N C H C C H H H C C H H -10.904 2.00 665 A 5.75 4.49 4.02 4.00 3.93 3.86 3.45 3.38 3.14 2.41 2.07 2.00 1.90 1.88 1.82 1.82 1.68 1.57 1.44 1.44 1.42 1.39 1.32 1.27 1.21 1.19 1.15 1.11 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:z P:x P:x S P:x P:z S P:z P:x S P:y S S P:x P:x S S P:x P:x P:y P:x S P:y P:z P:x S S P:z P:y P:x -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 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1 4 2 6 31 5 7 3 8 26 32 O O O O O O O O O O O O O W W W W O W W W W O O -10.823 2.00 667 A 7.97 6.97 6.93 6.83 6.18 5.36 4.97 4.20 3.56 3.53 3.49 3.12 2.89 2.86 2.67 2.19 1.46 1.24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:y P:x S P:y P:x S S S S S P:z P:y P:z P:z P:z P:x -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 87 220 209 212 95 213 208 93 110 115 111 85 221 221 209 217 212 217 H C C C H C C H H H H H C C C C C C -10.820 2.00 668 A 8.67 7.62 7.38 6.72 6.65 6.36 5.52 5.04 3.83 3.71 3.59 3.35 3.13 2.86 1.27 1.09 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:y S P:x P:y S P:x P:y P:x S S S P:z S S P:y P:x P:y -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 5.519 -7.353 -5.048 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.00 1.00 0.67 225 123 228 229 131 236 237 224 151 129 146 233 147 121 225 189 238 C H C C H C C C H H H C H H C N C -10.815 2.00 669 A 8.91 8.11 7.14 7.01 6.23 6.10 4.80 4.49 3.75 3.63 3.60 3.04 2.96 2.51 1.78 1.16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:y S P:x P:x P:y S P:x P:y S S S P:z S S P:z P:y -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 5.519 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.00 241 159 244 252 245 167 240 253 165 182 45 249 183 157 253 241 C H C C C H C C H H H C H H C C -10.814 2.00 670 A 8.15 8.13 6.04 5.61 4.49 4.32 3.97 3.88 3.85 3.72 3.49 3.40 3.12 2.66 2.65 2.37 1.87 1.51 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z S S P:z P:y P:y P:y S P:z P:x S S S S P:z P:x P:x P:x P:z -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 5.519 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.00 193 51 59 197 204 196 192 57 205 201 79 74 75 49 196 205 204 193 193 C H H C C C C H C C H H H H C C C C C -10.611 2.00 671 A 13.49 13.28 13.13 13.06 2.64 2.39 2.23 2.16 2.15 2.11 2.07 1.96 1.88 1.80 1.78 1.55 1.02 1.01 1 1 1 1 3 3 3 1 1 1 3 3 3 1 3 3 1 1 P:y P:x P:y P:x D:xy D:xy D:xy P:x P:y P:y D:x2-y2 D:xy D:x2-y2 P:x D:x2-y2 D:x2-y2 P:x P:y -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 36 42 35 41 4 7 8 35 41 42 8 3 4 36 3 7 19 17 O O O O W W W O O O W W W O W W O O -10.588 2.00 672 A 5.20 4.65 4.55 4.52 4.49 4.14 4.05 3.70 3.25 3.17 3.17 2.83 2.82 2.55 2.50 2.39 2.09 1.98 1.88 1.84 1.80 1.77 1.74 1.58 1.47 1.47 1.34 1.20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S P:y S P:x P:x P:y P:z S S S P:z P:y S S P:x P:y P:z P:y S P:z S P:x P:z P:y P:y S -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:x P:y S S P:x S P:y S P:y S P:z P:y P:y S S P:x P:x P:y P:y P:y P:y P:y P:x P:z P:x S P:y P:x -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -9.955 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -6.581 -7.353 -5.048 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.33 1.33 0.67 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.00 1.00 0.67 237 121 224 229 151 147 228 129 236 119 225 123 236 223 224 131 127 17 40 235 34 18 19 33 20 233 39 148 189 225 C H C C H H C H C H C H C C C H H O O C O O O O O C O H N C -10.577 2.00 675 A 2.46 2.43 2.38 2.38 2.31 2.29 2.27 2.21 2.18 2.14 1.75 1.59 1.52 1.51 1.42 1.39 1.37 1.34 1.31 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:x S P:y P:z P:x S P:z S P:y S P:x P:x P:z P:z P:y P:z S -5.048 -9.955 -5.048 -9.955 -6.581 -9.955 -5.048 -9.955 -6.581 -5.048 -6.581 -9.955 -6.581 -9.955 -9.955 -9.955 -5.048 -9.955 -9.955 -6.581 0.67 1.33 0.67 1.33 1.00 1.33 0.67 1.33 1.00 0.67 1.00 1.33 1.00 1.33 1.33 1.33 0.67 1.33 1.33 1.00 192 18 205 17 49 19 204 20 75 197 79 15 57 16 13 37 193 14 38 47 C O C O H O C O H C H O H O O O C O O H -10.574 2.00 676 A 2.94 2.79 2.77 2.76 2.50 2.49 2.05 1.89 1.57 1.37 1.36 1.33 1.31 1.30 1.27 1.22 1.22 1.15 1.05 1.04 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S P:z P:z S S S P:z P:x P:x P:y P:y P:y P:y P:x S S P:z P:z P:x P:x -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -6.581 -5.048 -7.353 -9.955 -5.048 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 0.67 1.00 1.33 0.67 192 205 49 204 197 75 79 57 193 16 17 18 15 19 14 20 47 51 191 187 13 201 C C H C C H H H C O O O O O O O H H C N O C -10.561 2.00 677 A 3.68 3.51 3.38 3.24 3.23 3.16 3.10 3.00 2.93 2.89 2.81 2.70 2.43 2.17 2.11 1.83 1.83 1.70 1.64 1.56 1.54 1.48 1.39 1.27 1.18 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:y P:x S P:x P:y S P:y P:x P:x P:y S S P:y P:y S S P:y P:y P:x P:y S S P:z P:z -6.581 -5.048 -9.955 -5.048 -6.581 -9.955 -5.048 -6.581 -9.955 -5.048 -9.955 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 1.00 0.67 1.33 0.67 1.00 1.33 0.67 1.00 1.33 0.67 1.33 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 157 253 34 240 183 40 245 45 33 244 39 252 165 155 240 241 159 163 239 251 252 190 167 181 249 239 H C O C H O C H O C O C H H C C H H C C C N H H C C -10.545 2.00 678 A 8.63 8.43 7.71 7.68 6.83 6.71 4.92 4.91 3.21 2.91 2.51 2.42 2.18 2.11 2.10 1.82 1.79 1.60 1.51 1.38 1.28 1.27 1.16 1.02 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 3 3 3 3 1 1 P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x D:yz D:yz P:z P:z P:y P:y D:yz D:yz D:yz D:yz P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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4.27 4.21 3.86 3.67 3.61 3.57 3.14 2.82 2.67 2.48 2.14 1.92 1.79 1.79 1.79 1.76 1.74 1.62 1.60 1.57 1.50 1.50 1.30 1.27 1.26 1.18 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x S P:y P:z S S P:x S S S S S P:z P:z S S S P:x P:x S P:z P:y S S P:z P:x P:z P:x -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 246 251 161 243 253 169 185 242 162 170 164 44 156 254 241 181 179 46 252 254 155 249 254 180 163 239 244 245 240 C C H C C H H C H H H H H C C H H H C C H C C H H C C C C -10.455 2.00 681 A 5.28 5.02 4.06 3.97 3.87 3.83 3.29 3.13 2.99 2.67 2.63 2.62 2.28 2.24 2.22 2.13 1.99 1.87 1.87 1.75 1.63 1.53 1.34 1.21 1.16 1.15 1.10 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x S P:z S S S S S P:x S S S S S P:y S P:y P:z P:x S P:z P:z P:x P:x P:z S P:y -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 219 211 214 89 221 113 97 92 90 98 210 84 109 118 107 83 222 91 207 209 220 117 217 222 208 222 213 108 214 C C C H C H H H H H C H H H H H C H C C C H C C C C C H C -10.443 2.00 682 A 7.11 5.96 5.80 5.09 4.53 4.01 3.77 3.76 3.75 3.12 2.44 2.22 2.04 1.88 1.88 1.65 1.63 1.59 1.54 1.31 1.30 1.20 1.20 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y S S S P:y S S S S P:y P:x P:y S P:y P:z S S S S S P:x P:x -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 198 194 206 53 61 54 205 62 77 82 81 203 203 195 56 191 195 73 47 48 55 71 201 199 C C C H H H C H H H H C C C H C C H H H H H C C -10.442 2.00 683 A 5.00 4.55 4.15 4.15 3.86 3.61 3.53 3.04 2.88 2.79 2.61 2.48 2.36 2.31 2.26 2.09 2.06 1.89 1.85 1.85 1.73 1.41 1.39 1.31 1.26 1.14 1.14 1.14 1.09 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x S P:x S S S S P:x S P:x S S S S S P:z P:x S S P:z P:y P:z P:y P:y P:z S P:x P:z -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 230 227 226 125 235 133 149 128 126 238 134 237 120 154 145 143 119 237 223 127 153 225 238 233 235 223 231 144 227 235 C C C H C H H H H C H C H H H H H C C H H C C C C C C H C C -10.360 2.00 684 A 5.71 4.63 4.36 4.21 3.88 3.79 3.67 3.60 3.50 3.47 3.32 3.22 3.17 3.16 3.10 3.06 2.94 2.76 2.69 1.93 1.45 1.41 1.37 1.27 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x S S S P:y S P:x S P:x S P:x S S P:x S S S S P:y P:z P:y P:z P:z -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 219 211 214 107 91 92 207 84 211 97 222 98 210 118 83 207 89 117 109 90 214 214 222 210 222 C C C H H H C H C H C H C H H C H H H H C C C C C -10.356 2.00 685 A 5.66 4.63 4.53 4.51 4.48 4.29 3.91 3.74 3.71 3.49 3.22 3.18 3.01 2.97 2.95 2.81 2.74 2.72 2.71 2.11 1.95 1.41 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y S S P:x S S P:y P:x S S S S P:x S P:x S S P:x S P:z -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 243 254 251 164 179 246 156 163 239 242 155 170 181 169 239 44 243 161 46 251 162 246 C C C H H C H H C C H H H H C H C H H C H C -10.338 2.00 686 A 8.15 6.27 5.69 5.26 5.19 5.10 4.48 4.47 4.17 3.79 3.69 3.44 2.65 2.15 2.15 2.00 1.98 1.88 1.66 1.38 1.07 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y S S S S P:y S S P:y P:y P:z S S S S P:z S P:z S P:x P:x -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 195 203 191 55 56 71 48 198 47 73 206 194 203 81 61 82 62 195 53 191 54 191 195 C C C H H H H C H H C C C H H H H C H C H C C -10.337 2.00 687 A 5.74 4.91 4.69 4.55 4.33 4.26 4.04 4.03 4.01 3.95 3.76 3.27 3.13 2.90 2.89 2.88 2.79 2.71 2.69 1.91 1.68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:x S P:x S S P:y S S S S S P:x S S S P:x S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 230 235 227 226 238 143 227 128 127 223 120 133 119 154 145 223 134 153 125 235 126 C C C C C H C H H C H H H H H C H H H C H -10.317 2.00 688 A 9.95 9.79 9.76 9.73 9.69 9.68 9.58 9.57 1 1 1 1 1 1 1 1 P:y P:y P:x P:y P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 15 20 18 17 16 14 13 O O O O O O O O -10.311 2.00 689 A 10.60 10.58 10.50 10.11 9.66 9.50 9.50 9.39 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 20 17 19 16 13 14 15 O O O O O O O O -10.255 2.00 690 A 7.21 7.06 6.94 5.88 5.47 4.84 4.26 4.22 4.07 3.90 3.44 2.94 2.16 2.07 1.96 1.71 1.45 1.41 1.32 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:y P:x P:x S P:y S P:x P:y P:y P:z P:x P:z P:x P:y P:y P:z P:z P:z S S -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -15.871 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 2.00 218 222 219 116 222 108 215 210 219 215 218 207 211 215 214 219 222 214 98 210 C C C H C H C C C C C C C C C C C C H C -10.254 2.00 691 A 6.77 5.82 5.80 5.37 5.26 4.84 4.63 4.59 4.46 3.48 2.95 2.83 2.76 2.64 2.48 2.41 1.85 1.31 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S P:y P:z P:z P:x S P:y P:x P:y P:x P:y P:z P:x P:x P:z P:z P:z S -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 247 43 250 254 251 254 180 242 251 254 250 251 239 243 247 246 250 253 170 C H C C C C H C C C C C C C C C C C H -10.236 2.00 692 A 8.42 7.84 7.62 7.37 6.49 5.79 4.55 4.42 3.95 2.70 2.34 2.01 1.31 1.29 1.28 1.28 1.21 1.13 1.10 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 P:z P:x P:x P:x P:z S P:z S P:z P:x P:x P:x P:z S P:x P:z P:z P:x P:z S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 5.519 5.519 -15.871 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.00 0.00 2.00 202 206 199 203 206 80 194 72 203 202 191 198 198 62 195 195 199 199 202 194 C C C C C H C H C C C C C H C C C C C C -10.228 2.00 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2.51 2.46 2.45 2.27 2.01 1.92 1.84 1.79 1.71 1.62 1.60 1.58 1.48 1.47 1.43 1.31 1.24 1.19 1.17 1.14 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 1 3 1 1 3 P:z P:z P:x P:z P:z P:x P:z P:z P:z P:z P:y P:z P:z P:x P:y P:x P:y P:x P:x D:xz P:x P:y D:xz P:y D:xz D:xz P:y D:xz P:y P:x D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 27 30 29 32 31 28 28 29 34 35 30 33 36 27 22 37 28 38 30 10 24 24 1 23 9 3 27 4 21 22 2 O O O O O O O O O O O O O O O O O O O W O O W O W W O W O O W -10.225 2.00 695 A 9.10 8.51 8.39 5.17 4.38 4.33 4.22 4.15 2.74 2.49 1.94 1.69 1.66 1.45 1.29 1.27 1.18 1.08 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 P:z P:z P:z S P:y P:y P:z S P:z P:z P:y P:x P:z S P:x P:z P:x S P:z P:y -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 5.519 -5.048 -6.581 5.519 -5.048 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.00 0.67 1.00 0.00 0.67 238 235 231 152 226 234 234 144 230 223 238 238 227 134 235 231 234 126 234 235 C C C H C C C H C C C C C H C C C H C C -10.208 2.00 696 A 5.86 5.80 5.79 5.44 5.22 5.07 4.63 4.62 3.97 3.81 3.77 3.44 3.24 2.97 2.88 2.83 2.40 2.26 1.79 1.60 1.51 1.33 1.33 1.21 1.20 1.10 1.05 1.04 1 1 1 1 1 1 1 1 3 1 3 1 3 3 1 1 1 1 1 1 3 1 3 3 3 3 3 1 P:z P:z P:z P:z P:z P:z P:z P:z D:xy P:x D:xy P:x D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x D:yz P:x D:yz D:xz D:xz D:xz D:xz P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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4 14 16 13 1 15 3 2 O O O O O O O O O O O O O O O O O O O O W W W O O O W O W W -10.054 2.00 698 A 3.47 3.39 3.20 3.14 3.12 3.04 2.95 2.70 2.61 2.46 2.45 2.25 2.22 2.07 2.02 2.00 1.87 1.85 1.83 1.70 1.57 1.47 1.43 1.38 1.34 1.33 1.27 1.25 1.25 1.22 1.15 1.09 1.07 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:z P:y P:y P:y P:x P:z P:z P:y P:z P:x P:z P:z P:z P:z P:x P:z P:y P:x P:z P:z P:y P:z P:z P:z P:y P:y P:z P:z P:z P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 13 20 37 15 19 14 16 42 36 18 12 17 39 35 11 33 30 41 24 27 34 40 21 23 17 29 22 23 28 16 22 25 32 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.952 2.00 699 A 5.29 5.08 4.61 4.40 4.23 4.02 3.99 3.56 3.14 2.80 2.76 2.73 2.63 2.44 2.26 2.25 2.24 2.21 2.06 1.93 1.82 1.80 1.45 1.31 1.29 1.17 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:y P:x P:y P:y P:y P:y P:x P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 37 38 36 37 35 34 33 12 12 32 11 31 41 35 42 36 11 39 33 40 34 41 39 42 40 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.950 2.00 700 A 5.38 5.22 4.36 4.24 4.16 4.14 3.87 3.51 3.14 2.82 2.61 2.60 2.56 2.25 2.24 2.16 2.05 1.96 1.94 1.88 1.87 1.63 1.55 1.48 1.28 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:x P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 37 38 42 41 37 40 39 12 11 25 26 12 11 35 41 42 33 36 39 40 34 36 34 35 33 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.906 2.00 701 A 4.92 4.17 3.85 3.83 3.63 3.42 3.26 3.21 3.05 2.94 2.91 2.85 2.65 2.49 2.46 2.14 2.11 1.95 1.94 1.92 1.87 1.84 1.71 1.70 1.59 1.45 1.21 1.12 1.12 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S S P:z S P:z S P:z P:z S P:z P:z S S P:z S P:z P:z P:y P:y P:y S P:y S S S S P:y P:z S -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 222 213 117 112 219 113 218 105 220 215 116 221 212 94 108 216 96 217 214 218 220 221 107 222 100 106 99 98 212 211 109 C C H H C H C H C C H C C H H C H C C C C C H C H H H H C C H -9.902 2.00 702 A 4.80 4.69 4.40 4.26 3.88 3.77 3.76 3.03 2.86 2.86 2.51 2.19 2.17 2.03 2.01 2.00 1.98 1.69 1.49 1.41 1.40 1.34 1.29 1.27 1.15 1.13 1.08 1.07 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z P:z S P:y P:y S P:z S P:z S S S P:y P:z P:z P:z P:z S S P:y S S S P:z P:y P:x P:y P:z -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 46 245 253 177 250 254 185 254 43 249 168 180 184 252 250 246 251 247 178 170 246 179 166 172 252 244 243 243 244 H C C H C C H C H C H H H C C C C C H H C H H H C C C C C -9.897 2.00 703 A 5.72 5.59 4.93 4.65 3.72 3.56 3.44 3.32 2.95 2.83 2.21 2.19 2.09 2.06 2.05 1.99 1.95 1.92 1.87 1.82 1.63 1.62 1.47 1.45 1.40 1.37 1.35 1.33 1.24 1.17 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S S S P:x S P:y S P:y P:x S P:x P:z S P:x S P:x P:y S P:x P:z P:x S P:y P:x S S P:z P:z P:y P:z -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 206 202 81 69 77 198 80 205 76 197 204 60 196 204 70 206 72 197 201 58 200 195 202 62 203 205 82 71 196 203 206 198 C C H H H C H C H C C H C C H C H C C H C C C H C C H H C C C C -9.885 2.00 704 A 5.01 4.96 4.09 3.79 3.58 3.54 3.03 3.01 2.83 2.80 2.80 2.62 2.47 2.20 2.17 2.11 2.04 2.00 1.94 1.81 1.70 1.53 1.45 1.39 1.29 1.26 1.22 1.19 1.17 1.17 1.14 1.07 1.06 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:y P:y P:y S S S S S P:z P:y P:z S P:z P:z P:x P:z S P:z P:x S S P:x S P:x P:x P:z P:x P:z S P:y P:x P:y S -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 148 236 238 234 228 130 153 152 149 141 228 232 236 144 230 232 235 237 142 229 229 154 132 238 143 237 231 233 227 238 136 230 234 227 134 H C C C C H H H H H C C C H C C C C H C C H H C H C C C C C H C C C H -9.822 2.00 705 A 7.03 6.77 6.62 6.52 6.20 6.00 5.97 5.85 2.67 2.46 2.14 1.81 1.45 1.20 1.20 1.18 1.15 1.11 1.09 1.06 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:y P:y P:x P:y P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 33 36 42 34 41 40 35 11 12 37 38 27 22 21 30 24 17 16 19 18 15 O O O O O O O O O O O O O O O O O O O O O O -9.812 2.00 706 A 10.30 8.25 6.50 6.43 6.04 4.18 3.28 2.76 2.67 2.64 2.42 2.33 2.19 2.09 1.87 1.73 1.62 1.57 1.52 1.49 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 P:z P:z P:y P:y P:z S S S S S P:z P:y S S S S P:y S P:z P:x S P:z -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 5.519 -5.048 -6.581 -5.048 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.00 0.67 1.00 0.67 215 219 218 222 211 100 99 106 107 92 207 214 109 118 105 91 210 97 215 210 98 214 C C C C C H H H H H C C H H H H C H C C H C -9.809 2.00 707 A 11.17 9.87 6.75 6.01 5.53 4.35 3.56 3.34 2.98 2.77 2.62 2.61 2.45 1.94 1.91 1.71 1.64 1.62 1.52 1.52 1.23 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 P:z P:z P:y P:y P:z S S P:z P:y S S S S S S S P:x P:y S P:z P:z S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 5.519 5.519 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.00 0.00 1.00 247 251 250 254 243 172 171 239 246 179 178 164 181 44 163 177 242 242 169 247 251 170 C C C C C H H C C H H H H H H H C C H C C H -9.790 2.00 708 A 8.52 8.40 5.98 5.33 4.49 3.44 3.29 3.21 3.16 3.09 2.82 2.73 2.60 2.19 1.96 1.93 1.79 1.61 1.52 1.48 1.38 1.25 1.14 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 P:x P:x P:z P:z S P:z S P:x P:x S P:z P:y S S S P:y P:y S S S S P:x P:x P:x -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 5.519 -5.048 5.519 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.00 0.67 0.00 199 203 202 206 64 198 63 195 191 71 194 199 56 73 70 203 195 55 61 69 82 203 204 199 C C C C H C H C C H C C H H H C C H H H H C C C -9.785 2.00 709 A 8.64 8.56 6.64 5.68 3.95 3.71 3.47 3.45 3.13 2.53 2.44 2.41 2.35 2.21 1.79 1.69 1.64 1.61 1.56 1.55 1.32 1.24 1.23 1.16 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 P:z P:z P:y P:y S P:z S P:z P:y S S S S S S S S P:x P:y P:x P:z P:x S S P:z P:x -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 5.519 -5.048 -6.581 -6.581 5.519 -5.048 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.00 0.67 1.00 1.00 0.00 0.67 231 235 234 238 136 223 135 227 230 143 142 128 145 141 127 154 133 227 226 231 235 226 153 134 231 234 C C C C H C H C C H H H H H H H H C C C C C H H C C -9.772 2.00 710 A 7.38 7.16 7.16 7.08 5.01 4.07 3.52 3.38 3.23 3.23 2.96 2.87 2.58 2.54 1.83 1.81 1.79 1.77 1.66 1.48 1.45 1.31 1.19 1.14 1.13 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:z P:z S S P:z P:z P:z S P:z S S P:y P:x P:x P:x S P:x P:y P:x P:y P:z S S P:z P:y P:z -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 5.519 -6.581 -6.581 -5.048 -7.353 -5.048 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.00 1.00 1.00 0.67 1.00 0.67 220 212 112 94 216 221 213 117 217 105 96 220 212 222 218 113 216 212 220 216 216 86 118 218 188 222 C C H H C C C H C H H C C C C H C C C C C H H C N C -9.765 2.00 711 A 7.95 7.89 6.46 6.20 5.53 4.93 3.96 3.57 3.46 3.27 3.22 2.99 2.77 2.49 2.35 2.28 1.73 1.48 1.46 1.25 1.23 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 S P:x S P:x P:z P:x P:x P:z S P:x P:x P:z P:y S P:y S S S P:x S S P:z P:y -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 5.519 -6.581 -6.581 5.519 -5.048 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.00 1.00 1.00 0.00 0.67 76 196 58 204 204 200 205 196 60 197 201 200 206 81 202 69 82 77 200 50 70 200 205 H C H C C C C C H C C C C H C H H H C H H C C -9.759 2.00 712 A 6.35 6.22 5.85 5.64 4.59 4.42 3.90 3.76 3.64 3.61 3.53 3.44 3.22 2.96 2.93 2.73 2.26 1.26 1.25 1.22 1.08 1.08 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 S S P:y P:z P:y P:z P:z P:z S P:y P:x S P:z S P:x P:z S P:y S P:y S S P:x -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -7.353 -6.581 5.519 -6.581 -6.581 -5.048 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.00 1.00 1.00 0.67 130 148 236 228 228 236 237 232 153 232 238 141 229 132 234 233 149 189 122 232 143 136 237 H H C C C C C C H C C H C H C C H N H C H H C -9.756 2.00 713 A 6.87 6.17 6.09 5.34 4.86 4.22 3.75 3.56 3.20 3.01 2.77 2.72 2.62 2.52 2.45 2.31 1.74 1.24 1.21 1.20 1.19 1.13 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 S S P:y P:z P:z P:y P:z P:z P:y P:z P:x P:z S S S P:x S S S S P:y P:x P:z P:y -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 5.519 -5.048 5.519 -9.955 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.00 0.67 0.00 1.33 184 166 252 244 252 244 253 248 248 245 254 249 168 46 177 250 44 185 178 158 248 244 248 12 H H C C C C C C C C C C H H H C H H H H C C C O -9.714 2.00 714 A 6.20 5.17 4.95 3.90 3.85 3.77 3.22 3.15 2.57 2.56 2.55 2.55 2.53 2.32 2.22 2.19 2.09 2.02 1.74 1.64 1.62 1.40 1.37 1.37 1.21 1.14 1.07 1.07 1.03 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:x S S S P:x P:y P:y P:y P:y S P:z S P:y S P:z S P:z P:z S S P:y P:x S S P:z P:x S S -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 104 217 221 115 102 95 213 216 212 217 213 111 220 96 220 93 221 94 216 217 103 114 221 216 108 99 215 220 113 101 H C C H H H C C C C C H C H C H C H C C H H C C H H C C H H -9.705 2.00 715 A 6.40 5.08 4.56 4.43 4.17 4.05 3.93 3.82 3.46 3.40 2.81 2.76 2.16 2.12 1.87 1.84 1.80 1.70 1.62 1.58 1.29 1.09 1.02 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:x P:z P:y S S P:z P:y P:x P:y S S S S S S S S P:z P:z P:y S S P:y -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 176 249 253 252 249 45 167 248 245 245 253 174 175 166 185 183 186 168 165 244 253 248 173 180 244 H C C C C H H C C C C H H H H H H H H C C C H H C -9.699 2.00 716 A 6.92 5.11 4.91 4.74 4.45 4.19 4.01 3.43 3.11 2.83 2.53 2.16 2.05 2.02 1.68 1.65 1.54 1.47 1.41 1.29 1.20 1.13 1.11 1.11 1.09 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:y P:x S P:y S P:x P:x P:y S S S S S S S S P:z P:x P:x P:y P:z S P:z S -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 68 205 197 201 79 201 59 204 200 205 66 77 58 67 78 75 57 60 201 196 197 204 196 65 200 74 H C C C H C H C C C H H H H H H H H C C C C C H C H -9.690 2.00 717 A 5.70 5.57 5.47 3.96 3.78 3.58 3.35 3.16 2.60 2.54 2.49 2.49 2.42 2.19 2.19 2.01 1.93 1.88 1.41 1.25 1.21 1.15 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z P:z S S P:y P:z S P:z P:y S S P:z S P:y P:y S P:y S S P:y P:y S -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 138 236 232 140 147 233 237 129 233 237 131 151 228 132 228 229 130 232 144 135 231 235 145 H C C H H C C H C C H H C H C C H C H H C C H -9.679 2.00 718 A 7.44 6.89 6.08 5.42 5.02 4.36 4.28 4.13 3.51 2.96 2.45 1.80 1.80 1.74 1.62 1.49 1.44 1.43 1.43 1.39 1.34 1.31 1.28 1.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:x P:y P:y P:z P:x P:z P:z P:y P:z P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 39 42 40 41 33 36 34 35 37 34 38 36 33 41 13 40 35 11 34 20 35 12 O O O O O O O O O O O O O O O O O O O O O O O O -9.669 2.00 719 A 7.61 6.53 5.55 5.19 4.96 4.31 4.21 3.73 3.48 3.14 2.78 2.04 1.68 1.61 1.51 1.32 1.26 1.22 1.21 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:x P:x P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 33 34 35 39 36 40 42 41 37 40 41 38 39 11 42 12 14 19 O O O O O O O O O O O O O O O O O O O O -9.645 2.00 720 A 7.15 7.03 6.90 6.87 5.00 4.91 4.88 4.71 4.41 4.29 3.55 3.39 2.47 2.41 2.35 2.30 2.28 2.28 1.79 1.72 1.09 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 23 28 22 24 30 21 27 30 27 24 21 22 23 25 26 31 32 29 28 24 21 O O O O O O O O O O O O O O O O O O O O O O -9.641 2.00 721 A 5.01 4.70 4.69 3.94 3.92 3.40 3.19 2.98 2.98 2.61 2.37 2.17 2.11 2.05 1.91 1.81 1.81 1.72 1.62 1.61 1.59 1.38 1.37 1.34 1.34 1.33 1.26 1.17 1.12 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S S P:x P:z S P:x S P:y P:y S P:x P:y S S S P:y P:y S S P:z P:y S P:y P:z P:x P:z P:x S S -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 216 102 113 106 220 213 118 217 111 218 222 108 221 213 103 101 93 215 219 99 110 214 217 109 221 217 211 221 213 98 114 C H H H C C H C H C C H C C H H H C C H H C C H C C C C C H H -9.630 2.00 722 A 4.60 4.44 3.90 3.55 3.20 3.18 3.02 2.72 2.64 2.51 2.45 2.22 2.11 2.10 2.08 1.99 1.89 1.65 1.64 1.61 1.53 1.50 1.41 1.30 1.23 1.21 1.14 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:x P:z S P:x S S P:y S P:x S P:x P:y P:y P:y S P:x P:z S S S P:y P:y P:x P:z P:z P:x -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 174 248 185 252 245 178 249 183 180 250 44 243 165 253 247 254 251 171 245 244 166 175 181 246 243 190 252 249 247 H C H C C H C H H C H C H C C C C H C C H H H C C N C C C -9.626 2.00 723 A 6.42 4.39 4.29 4.14 4.13 3.94 3.64 3.61 3.36 2.74 2.73 2.64 2.39 2.32 2.25 1.62 1.56 1.54 1.53 1.50 1.50 1.45 1.33 1.30 1.28 1.26 1.10 1.06 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x P:x P:y S S P:y S S S S P:x P:x P:x S P:z S S P:x P:y S P:z S S S P:z P:z P:z S -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 66 201 204 200 197 75 77 205 70 67 57 82 196 198 202 78 199 58 63 206 200 65 203 80 74 73 200 195 202 72 H C C C C H H C H H H H C C C H C H H C C H C H H H C C C H -9.613 2.00 724 A 5.75 5.32 4.77 4.63 4.61 4.25 3.89 3.44 3.38 3.13 3.12 2.97 2.87 2.43 2.41 1.89 1.56 1.30 1.30 1.23 1.20 1.17 1.15 1.15 1.09 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 P:x S P:x P:x P:x S S S S P:x P:y S S P:y S S P:z P:y S S P:x P:x P:z P:y S P:y S -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 5.519 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.00 1.00 0.67 0.67 1.00 0.67 1.00 233 149 229 237 232 142 138 137 154 236 234 139 146 238 147 150 229 230 129 134 233 189 230 231 140 235 135 C H C C C H H H H C C H H C H H C C H H C N C C H C H -9.607 2.00 725 A 5.57 5.52 5.34 5.14 5.09 4.47 4.46 3.81 3.75 3.46 3.24 3.06 2.84 2.81 1.83 1.75 1.66 1.64 1.57 1.50 1.38 1.28 1.23 1.22 1.16 1.07 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:z P:z P:z S S S P:y P:x S S P:x S P:y P:x P:y S S S P:x P:z P:y P:z P:x P:y P:z S P:x -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 5.519 -5.048 -5.048 -7.353 -6.581 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.00 0.67 0.67 1.00 1.00 0.67 246 254 250 176 43 180 249 243 175 45 251 186 253 247 243 177 167 46 249 239 251 250 253 247 190 174 246 C C C H H H C C H H C H C C C H H H C C C C C C N H C -9.603 2.00 726 A 5.08 5.01 4.77 4.58 4.30 3.74 3.66 3.65 3.64 3.43 3.08 2.84 2.52 2.37 2.25 2.06 1.73 1.72 1.59 1.55 1.46 1.41 1.27 1.10 1.06 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 S S S P:z P:z P:z P:x P:y S S S P:x P:x P:y P:y P:x S S P:y S P:y P:z P:z P:x S P:x P:z -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 5.519 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.00 116 104 108 222 218 214 211 217 103 115 114 219 215 211 221 214 117 105 219 95 215 217 221 210 102 217 218 H H H C C C C C H H H C C C C C H H C H C C C C H C C -9.590 2.00 727 A 6.82 6.27 5.74 5.73 5.37 4.76 3.93 3.92 3.87 3.63 2.79 2.57 2.26 2.24 2.20 1.97 1.91 1.82 1.76 1.52 1.33 1.22 1.17 1.10 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 S P:z P:z S P:z P:z S P:x P:z S P:x S P:x P:y S P:y S S S P:x P:z P:z P:x P:y P:x -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 5.519 -7.353 -5.048 -5.048 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.00 1.00 0.67 0.67 72 195 201 68 203 199 79 198 205 80 206 67 202 202 78 206 59 69 81 191 194 199 187 203 195 H C C H C C H C C H C H C C H C H H H C C C N C C -9.577 2.00 728 A 6.10 5.64 5.13 4.79 4.44 4.07 3.60 3.58 3.40 3.16 3.07 2.40 1.95 1.87 1.75 1.74 1.67 1.58 1.51 1.51 1.50 1.37 1.26 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z S P:z S P:z S P:x P:y P:x P:x S P:y P:y P:z P:z S P:z S S P:y S P:y S P:z -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 5.519 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.00 230 144 238 152 234 140 227 233 235 231 151 237 227 223 189 139 227 150 141 235 153 231 131 234 C H C H C H C C C C H C C C N H C H H C H C H C -9.555 2.00 729 A 6.69 6.47 6.09 6.09 5.83 5.68 5.52 5.42 1.85 1.72 1.71 1.68 1.57 1.55 1.50 1.47 1.37 1.30 1.29 1.25 1.19 1.17 1.13 1.13 1.12 1.05 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:z P:x P:z P:z P:z P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 20 13 19 15 18 14 17 16 26 32 29 31 22 23 28 25 30 24 27 33 39 40 21 42 34 36 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.516 2.00 730 A 7.71 7.43 5.23 4.75 3.56 3.39 3.30 3.26 2.85 2.45 2.44 2.36 2.30 2.03 1.99 1.76 1.58 1.56 1.53 1.49 1.45 1.45 1.44 1.43 1.36 1.29 1.19 1.10 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 P:y P:y S P:y S P:y S S S S S P:x S P:x S P:y S S S S P:x P:y S P:y S S P:x P:y P:x P:y -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 5.519 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 5.519 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.00 216 212 99 220 102 215 112 109 93 101 100 217 111 221 91 219 107 95 103 110 215 216 87 208 96 114 213 213 209 212 C C H C H C H H H H H C H C H C H H H H C C H C H H C C C C -9.500 2.00 731 A 6.43 6.22 5.63 4.31 4.03 3.68 3.42 3.27 3.23 2.54 2.52 2.26 2.25 2.24 2.11 1.92 1.89 1.79 1.72 1.42 1.37 1.23 1.22 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:y S P:y P:y P:y S S S S S S P:x S S P:y S P:x S P:x P:x S P:y P:y S P:x -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 5.519 -6.581 -5.048 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.00 1.00 0.67 244 171 248 247 252 181 172 174 184 163 183 249 175 179 251 165 247 186 253 251 173 243 248 164 241 C H C C C H H H H H H C H H C H C H C C H C C H C -9.499 2.00 732 A 6.44 5.41 3.68 3.17 3.13 2.96 2.85 2.85 2.84 2.77 2.55 2.42 2.40 2.02 1.90 1.90 1.88 1.82 1.79 1.77 1.61 1.58 1.55 1.46 1.44 1.29 1.25 1.24 1.13 1.11 1.09 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 P:y P:y S P:y S S P:y S S P:y S P:z S S S S P:z P:y P:z S S S P:z P:y S S S P:x P:y P:y P:y P:y -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 5.519 -7.353 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.00 1.00 228 232 135 231 138 129 229 131 148 236 137 237 145 132 123 147 232 235 236 140 139 146 233 233 150 127 136 233 227 224 232 189 C C H C H H C H H C H C H H H H C C C H H H C C H H H C C C C N -9.491 2.00 733 A 8.14 5.86 3.92 3.77 3.34 3.31 3.16 3.11 2.91 2.46 2.32 2.20 2.18 1.99 1.99 1.93 1.70 1.69 1.63 1.60 1.55 1.47 1.36 1.26 1.11 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:z P:z S S P:z S S S P:y S P:x S P:y S S P:x S S S S P:z P:x P:x P:z S S -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 5.519 -6.581 -6.581 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.00 1.00 1.00 196 200 76 66 204 63 65 57 200 75 205 73 204 74 67 201 78 60 51 59 199 197 193 200 55 49 C C H H C H H H C H C H C H H C H H H H C C C C H H -9.475 2.00 734 A 4.75 4.43 4.01 3.59 3.37 3.25 3.12 2.98 2.80 2.59 2.58 2.28 1.90 1.88 1.87 1.83 1.77 1.71 1.66 1.65 1.58 1.41 1.37 1.35 1.28 1.24 1.22 1.22 1.20 1.18 1.18 1.11 1.10 1.08 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:x S S P:x S P:x S P:y S S S S S P:y P:x P:z P:y S S S P:x P:x P:z S P:y P:y P:y S S S S P:y P:y P:z P:x P:x -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -7.353 -5.048 -5.048 -5.048 5.519 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.00 215 104 100 219 101 211 99 217 95 107 110 115 103 212 218 220 216 92 109 91 222 214 216 116 221 213 208 114 87 108 94 188 209 208 207 215 C H H C H C H C H H H H H C C C C H H H C C C H C C C H H H H N C C C C -9.465 2.00 735 A 4.14 3.97 3.78 3.72 3.61 3.45 3.25 3.16 3.07 2.84 2.60 2.27 2.25 1.90 1.73 1.67 1.56 1.55 1.55 1.53 1.52 1.47 1.46 1.39 1.39 1.32 1.30 1.28 1.21 1.18 1.14 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:y P:x S P:z S P:x P:y S S S S P:z S P:y P:x S P:z S S P:x S S P:x P:y S P:x P:y P:x P:z P:z -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -7.353 -7.353 -5.048 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 65 198 200 202 70 201 74 206 204 68 67 82 80 205 78 202 203 72 193 79 59 199 58 62 195 192 69 191 199 187 187 197 H C C C H C H C C H H H H C H C C H C H H C H H C C H C C N N C -9.463 2.00 736 A 4.66 4.17 3.64 3.23 3.10 3.09 2.95 2.78 2.71 2.65 2.42 2.31 2.22 2.08 1.93 1.88 1.87 1.84 1.68 1.59 1.54 1.54 1.49 1.46 1.43 1.27 1.25 1.13 1.11 1.11 1.09 1.06 1.06 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:y S S P:z P:x P:y P:z P:x P:x S P:y S P:x P:z S P:y P:y S S P:y S S P:x S P:x S P:z S P:y P:x S S S P:y -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 176 173 249 182 167 252 247 244 248 243 251 45 248 175 250 240 165 245 253 172 166 241 159 180 254 186 246 157 244 43 190 239 179 178 158 252 H H C H H C C C C C C H C H C C H C C H H C H H C H C H C H N C H H H C -9.454 2.00 737 A 5.72 5.09 4.29 3.87 3.37 3.02 2.82 2.37 2.23 2.20 2.06 1.85 1.82 1.77 1.71 1.68 1.66 1.62 1.61 1.55 1.54 1.49 1.46 1.45 1.44 1.23 1.21 1.20 1.16 1.13 1.11 1.10 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:x S S S P:z P:y S S P:x P:x P:z S S S P:z S S P:z P:y S S P:x P:y S P:x P:z S P:z P:x S -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -7.353 -5.048 -6.581 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 137 232 146 236 142 135 140 230 233 154 136 234 231 234 151 145 130 238 152 131 224 231 127 143 235 237 139 224 228 134 189 238 138 H C H C H H H C C H H C C C H H H C H H C C H H C C H C C H N C H -9.441 2.00 738 A 6.15 5.22 4.93 3.70 3.33 3.31 3.30 2.83 2.79 2.66 2.62 2.55 2.44 2.44 2.37 2.32 2.25 2.21 1.79 1.59 1.56 1.48 1.28 1.24 1.23 1.20 1.16 1.08 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x S S S S P:x P:z S S P:y P:x P:x S S S P:z P:z S P:x P:y S P:y P:y P:x S S S -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 106 100 218 118 102 101 92 222 216 107 98 215 216 214 110 111 99 220 212 105 215 219 109 211 218 220 116 91 93 H H C H H H H C C H H C C C H H H C C H C C H C C C H H H -9.436 2.00 739 A 6.98 6.01 4.70 4.00 4.00 3.77 3.75 3.40 2.83 2.46 2.29 2.24 2.24 2.22 2.15 2.04 1.83 1.62 1.46 1.43 1.36 1.21 1.07 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x S S S P:y S S P:x P:x S S P:x S P:y S S P:x P:y P:y S S S P:y -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 172 178 250 171 164 179 247 44 170 254 247 177 181 246 174 251 163 183 248 243 250 46 173 169 248 H H C H H H C H H C C H H C H C H H C C C H H H C -9.424 2.00 740 A 8.00 4.80 4.62 4.36 3.89 3.32 3.16 2.91 2.80 2.73 2.29 2.19 2.03 1.87 1.86 1.79 1.79 1.58 1.43 1.42 1.39 1.38 1.38 1.35 1.32 1.29 1.28 1.21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S S S P:x S S P:x P:y P:x S S S S S P:x S S P:x S P:y S S P:y P:y P:x P:x -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 136 231 128 143 135 232 142 138 227 231 235 145 137 154 127 147 236 140 129 224 120 235 134 146 234 233 228 234 H C H H H C H H C C C H H H H H C H H C H C H H C C C C -9.421 2.00 741 A 7.87 6.78 4.47 4.40 4.26 3.40 3.27 3.27 3.26 2.70 2.23 2.22 2.12 2.11 2.07 1.99 1.77 1.60 1.55 1.44 1.42 1.32 1.28 1.26 1.21 1.19 1.16 1.10 1.10 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 S P:y S S S P:y S S P:y S P:y P:z S S S P:y S S S S S P:z S P:z P:z S P:y P:y P:y P:y -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 5.519 -5.048 -5.048 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.00 0.67 0.67 64 199 63 71 56 203 70 66 195 73 202 200 55 75 65 200 82 62 57 74 68 201 69 204 196 48 204 199 206 192 H C H H H C H H C H C C H H H C H H H H H C H C C H C C C C -9.395 2.00 742 A 6.35 5.40 5.29 4.38 4.10 3.67 3.36 3.00 2.78 2.51 2.43 2.31 2.19 1.86 1.80 1.75 1.74 1.74 1.64 1.61 1.43 1.43 1.35 1.18 1.17 1.10 1.09 1.07 1.07 1.05 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x S S P:x S P:y P:x S P:x S P:x P:z P:x P:z S P:y P:y P:x P:x S P:x P:z P:z P:x S S S P:x S S -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 101 103 216 102 110 217 114 215 220 99 209 111 221 216 188 208 93 219 211 212 213 109 218 220 217 214 104 113 100 208 105 91 H H C H H C H C C H C H C C N C H C C C C H C C C C H H H C H H -9.379 2.00 743 A 4.79 4.39 3.43 3.20 3.18 2.71 2.47 2.39 2.34 2.34 2.16 1.88 1.83 1.73 1.64 1.61 1.49 1.45 1.36 1.35 1.32 1.32 1.31 1.27 1.24 1.16 1.10 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S S S P:y S P:y P:z P:x S S S S S P:z P:y P:z P:y S P:x S P:y S S S P:y S P:z -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 65 200 66 63 74 204 173 192 199 248 67 73 75 182 174 195 201 203 196 57 252 55 197 78 64 69 187 175 201 H C H H H C H C C C H H H H H C C C C H C H C H H H N H C -9.379 2.00 744 A 6.97 6.52 4.90 4.50 3.71 2.97 2.50 2.34 1.75 1.74 1.72 1.57 1.54 1.52 1.52 1.52 1.51 1.36 1.31 1.30 1.25 1.23 1.17 1.14 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S S P:x S S P:x S P:z S P:y P:y P:x P:x P:x S P:z S P:x P:x S S S P:z -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -6.581 -5.048 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 173 248 182 174 252 175 183 249 186 240 65 200 247 241 244 240 165 248 171 253 190 66 63 74 252 H C H H C H H C H C H C C C C C H C H C N H H H C -9.372 2.00 745 A 5.87 5.58 4.05 3.72 3.64 3.35 3.05 2.93 2.79 2.73 2.66 2.56 2.39 2.23 2.13 2.09 1.90 1.79 1.77 1.76 1.68 1.66 1.60 1.50 1.46 1.36 1.30 1.30 1.26 1.25 1.23 1.09 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:x S S P:x P:y P:x P:x S S S S S P:x P:x S P:x P:x P:x P:y P:y S S P:x S P:x S S S S S S S -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 139 233 232 150 137 237 231 234 229 141 138 135 142 146 236 189 133 224 230 225 235 227 149 145 228 134 238 129 153 147 154 136 127 140 H C C H H C C C C H H H H H C N H C C C C C H H C H C H H H H H H H -9.311 2.00 746 A 7.66 4.73 4.58 4.54 4.18 4.18 3.44 3.27 3.12 2.95 2.95 2.88 2.43 2.33 2.29 2.09 1.89 1.88 1.83 1.67 1.51 1.49 1.31 1.27 1.25 1.09 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z S P:z P:z S S P:z P:x P:z P:y S S S S P:z P:x S S S P:y S S P:z S P:x -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 177 169 245 168 250 246 46 178 253 250 249 249 170 175 176 160 254 246 186 45 172 253 185 44 241 161 241 H H C H C C H H C C C C H H H H C C H H H C H H C H C -9.308 2.00 747 A 8.14 4.89 4.66 4.49 4.39 4.28 3.75 3.66 2.73 2.70 2.62 2.39 2.31 2.06 2.04 1.95 1.90 1.83 1.70 1.49 1.40 1.37 1.28 1.24 1.17 1.08 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z P:y P:z S S S P:y P:z S S S P:z P:x S P:y S S S P:x P:z S S P:y S P:x P:z -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 105 97 218 217 214 96 117 106 221 213 98 104 103 222 218 88 213 114 115 118 209 221 100 113 218 89 214 217 H H C C C H H H C C H H H C C H C H H H C C H H C H C C -9.306 2.00 748 A 6.64 5.95 4.72 4.52 4.02 3.93 3.36 2.96 2.86 2.78 2.74 2.53 2.36 2.28 2.28 2.21 2.20 2.16 1.95 1.95 1.94 1.93 1.35 1.19 1.18 1.13 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 S P:y P:y S S P:x P:z S S P:x S S S P:x S S P:y P:x S P:z S P:y S P:y S P:y S -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 5.519 -6.581 -5.048 -6.581 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.00 1.00 0.67 1.00 69 202 198 60 61 197 201 81 67 205 68 70 64 201 52 78 206 193 79 205 62 199 56 198 77 195 71 H C C H H C C H H C H H H C H H C C H C H C H C H C H -9.274 2.00 749 A 6.63 5.09 4.94 4.45 4.32 4.28 4.01 3.79 3.70 3.48 3.30 2.96 2.72 2.68 2.60 2.34 2.02 2.02 1.70 1.69 1.47 1.36 1.34 1.25 1.23 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 S P:z P:x P:z P:z S S P:x S S P:y S S S S P:z S S P:z P:x P:y S P:z P:z S S -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 5.519 -6.581 -6.581 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.00 1.00 1.00 141 229 234 233 237 132 133 230 140 139 233 153 142 151 150 225 124 134 230 238 237 136 234 229 149 154 H C C C C H H C H H C H H H H C H H C C C H C C H H -9.254 2.00 750 A 5.93 5.85 5.67 5.46 4.42 4.39 4.24 4.22 4.11 4.01 3.99 3.93 3.78 3.76 3.70 3.68 3.21 3.11 2.46 2.23 1.78 1.50 1.24 1.21 1.17 1.14 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 22 28 29 23 24 21 27 42 30 36 33 39 34 35 40 41 27 30 24 21 22 23 26 25 32 31 28 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.205 2.00 751 A 6.29 5.92 5.12 5.04 4.56 4.52 4.47 4.44 4.32 4.27 4.05 3.77 3.62 3.44 3.14 3.12 1.71 1.67 1.55 1.53 1.52 1.43 1.42 1.30 1.21 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 25 31 32 29 27 12 11 30 28 32 31 24 21 22 23 12 11 29 28 40 41 42 39 30 27 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.203 2.00 752 A 6.43 5.83 5.11 4.95 4.68 4.63 4.59 4.46 4.43 4.30 4.17 3.73 3.70 3.40 3.30 3.10 1.81 1.72 1.61 1.54 1.51 1.38 1.37 1.32 1.28 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x P:y P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:x P:x P:x P:y P:y P:x P:y P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 32 26 25 21 12 24 26 11 23 22 25 30 27 28 29 12 35 11 24 21 34 23 33 22 36 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.127 2.00 753 A 11.24 9.69 4.62 4.29 3.99 3.91 3.60 3.54 3.44 3.32 3.07 2.91 2.73 2.68 2.65 2.62 2.53 2.46 2.43 2.27 2.26 2.15 2.13 2.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:x P:y P:y P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 17 19 20 18 16 31 26 25 15 38 32 14 42 13 36 33 39 37 40 35 34 41 O O O O O O O O O O O O O O O O O O O O O O O O -9.091 2.00 754 A 13.27 7.75 6.97 5.84 5.49 4.76 4.72 4.42 4.04 3.24 2.54 2.53 2.13 2.00 1.45 1.44 1.44 1.32 1.30 1.26 1.12 1.09 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y P:x P:y P:y P:x P:z P:x P:x P:x P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 40 20 38 19 35 16 37 36 15 33 19 34 42 27 29 30 24 25 40 15 29 28 O O O O O O O O O O O O O O O O O O O O O O O -9.076 2.00 755 A 9.14 8.39 5.70 5.49 4.89 4.62 3.46 3.44 3.08 2.78 2.75 2.55 2.44 2.27 2.19 1.92 1.71 1.60 1.54 1.48 1.48 1.46 1.31 1.27 1.24 1.22 1.20 1.17 1.14 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x P:y P:x P:y P:x P:x P:y P:y P:z P:x P:y P:y P:y P:y P:z P:y P:z P:y P:y P:x P:z P:y P:x P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 35 37 17 33 38 19 37 13 24 23 23 41 21 17 34 15 22 22 24 36 29 35 21 13 16 20 27 25 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.058 2.00 756 A 12.91 10.13 10.11 5.29 4.66 4.66 3.46 3.30 3.05 2.47 2.45 2.42 2.31 2.14 1.74 1.36 1.34 1.31 1.30 1.15 1.13 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:y P:x P:x P:y P:x P:y P:y P:x P:x P:y P:x P:y P:x P:x P:z P:x P:x P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 18 36 38 39 17 14 38 37 34 37 30 41 18 35 13 14 29 27 21 28 36 26 O O O O O O O O O O O O O O O O O O O O O O O -9.017 2.00 757 A 12.17 7.20 7.03 6.88 6.75 6.54 4.21 3.89 3.75 3.28 2.57 2.14 2.03 1.90 1.85 1.84 1.75 1.69 1.24 1.19 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:x P:y P:x P:x P:y P:x P:x P:y P:y P:x P:y P:z P:z P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 34 33 16 42 15 38 20 19 37 39 35 36 15 40 35 36 33 30 27 19 O O O O O O O O O O O O O O O O O O O O O -9.014 2.00 758 A 10.07 9.68 9.37 8.95 8.23 7.91 7.91 7.74 5.21 3.80 2.76 2.23 1.18 1.15 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 16 13 14 19 20 18 17 11 12 37 38 31 26 22 O O O O O O O O O O O O O O O -8.998 2.00 759 A 7.30 6.35 6.32 5.63 4.93 4.28 3.75 3.68 3.58 2.88 2.53 2.43 2.43 2.33 2.30 1.94 1.84 1.74 1.74 1.67 1.57 1.47 1.46 1.41 1.33 1.27 1.16 1.12 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:x P:y P:x P:x P:y P:z P:y P:z P:y P:z P:z P:y P:x P:y P:z P:y P:x P:y P:x P:z P:y P:x P:z P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 37 33 13 38 38 17 35 39 21 40 15 41 42 22 16 24 22 13 20 23 41 23 19 39 21 17 34 12 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.979 2.00 760 A 11.72 8.97 6.89 6.30 4.08 4.02 3.88 3.52 3.47 2.81 2.74 2.60 2.54 2.16 1.91 1.52 1.42 1.31 1.28 1.20 1.20 1.18 1.07 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:y P:x P:y P:x P:y P:x P:x P:y P:z P:x P:x P:z P:z P:y P:x P:z P:z P:x P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 14 37 34 37 18 41 38 13 14 36 34 27 38 33 28 39 17 35 41 18 28 36 22 O O O O O O O O O O O O O O O O O O O O O O O O -8.976 2.00 761 A 8.54 8.27 8.11 7.80 7.56 7.22 7.10 6.56 2.29 2.18 2.05 2.05 2.03 1.96 1.86 1.82 1.58 1.56 1.42 1.10 1.08 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 1 1 1 1 1 P:y P:x P:x P:y P:y P:y P:x P:x D:xz D:yz D:yz D:yz D:xz D:yz D:xz D:xz P:x P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 27 22 23 29 30 28 24 21 5 1 3 4 8 2 7 6 28 23 21 29 30 O O O O O O O O W W W W W W W W O O O O O -8.705 2.00 762 A 24.33 13.21 12.94 9.42 7.69 5.09 4.60 3.47 3.26 2.91 2.25 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:x P:z P:z P:z P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 42 40 31 32 33 35 36 26 34 31 O O O O O O O O O O O -8.680 2.00 763 A 18.46 11.97 10.98 9.27 6.65 6.49 5.18 3.93 3.46 1.98 1.73 1.21 1.09 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:z P:x P:z P:z P:y P:z P:z P:y P:x P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 33 35 32 36 34 25 39 41 31 25 42 40 11 26 O O O O O O O O O O O O O O O -8.677 2.00 764 A 22.28 13.10 12.69 11.09 6.94 6.90 2.97 2.75 2.44 2.32 2.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:z P:z P:y P:y P:z P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 39 41 32 34 36 32 26 40 25 42 11 O O O O O O O O O O O O -8.604 2.00 765 A 8.71 7.40 4.82 4.56 4.10 3.84 3.05 2.88 2.73 2.69 2.62 2.62 2.58 2.57 2.56 2.55 2.51 2.26 2.11 2.01 1.80 1.68 1.55 1.48 1.38 1.36 1.30 1.15 1.13 1.11 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:y P:z P:y P:y P:y P:z P:z P:z P:x P:z P:y P:z P:x P:x P:x P:z P:y P:y P:y P:y P:y P:z P:z P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 12 17 11 16 28 29 27 24 13 20 20 21 30 23 38 13 37 22 41 42 40 39 38 30 27 17 22 24 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.600 2.00 766 A 9.51 7.35 4.87 3.97 3.71 3.47 3.37 3.32 3.30 3.26 2.84 2.79 2.70 2.47 2.21 2.17 2.10 2.01 1.91 1.80 1.77 1.74 1.73 1.70 1.60 1.45 1.41 1.39 1.34 1.18 1.07 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:z P:z P:x P:z P:x P:z P:z P:y P:x P:x P:y P:z P:y P:y P:x P:y P:x P:z P:z P:x P:x P:x P:z P:x P:y P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 12 11 18 19 14 21 29 24 15 28 38 22 23 19 30 37 14 35 18 36 23 27 34 30 38 22 33 15 41 37 27 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.464 2.00 767 A 11.01 10.66 4.97 4.63 3.58 3.57 3.36 3.30 2.80 2.50 2.48 2.34 2.18 1.73 1.72 1.68 1.61 1.53 1.53 1.50 1.47 1.44 1.43 1.43 1.39 1.32 1.22 1.15 1.14 1.13 1.11 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:y P:y P:y P:x P:y P:y P:y P:z P:x P:z P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 11 12 17 13 20 16 30 38 37 24 27 21 24 40 41 29 39 34 33 21 35 42 36 22 23 23 21 37 38 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.459 2.00 768 A 11.00 9.97 4.50 4.04 3.77 3.64 3.55 3.09 2.69 2.57 2.37 2.30 2.14 2.06 1.87 1.73 1.59 1.52 1.49 1.37 1.37 1.37 1.35 1.35 1.35 1.31 1.30 1.29 1.29 1.21 1.16 1.14 1.12 1.11 1.09 1.08 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y P:x P:x P:x P:x P:x P:y P:x P:y P:x P:y P:x P:x P:z P:x P:x P:z P:x P:x P:z P:x P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 11 12 18 14 15 19 24 28 37 38 29 29 21 33 36 34 39 41 30 40 28 35 23 29 37 12 38 42 11 27 28 21 15 30 31 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.449 2.00 769 A 25.05 23.32 4.40 4.35 2.98 2.98 2.94 2.79 2.77 2.72 1.95 1.88 1.85 1.80 1.69 1.36 1.30 1.27 1.25 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:z P:x P:x P:z P:z P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 23 22 29 30 38 28 27 37 23 24 30 27 21 26 31 22 32 25 O O O O O O O O O O O O O O O O O O O O -8.372 2.00 770 A 6.25 6.25 6.20 6.03 5.55 4.51 4.43 4.38 4.38 4.24 4.11 3.93 3.23 2.99 2.72 2.65 2.65 2.59 2.54 2.39 1.50 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:z P:x P:x P:y P:x P:y P:z P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 21 24 22 20 13 11 28 27 30 29 17 12 16 30 17 29 16 27 28 13 37 O O O O O O O O O O O O O O O O O O O O O O -8.364 2.00 771 A 6.63 6.44 6.20 5.99 5.49 4.68 4.61 4.41 4.37 4.36 3.98 3.39 3.12 3.12 2.67 2.55 2.50 2.50 2.49 2.30 2.12 1.24 1.13 1.12 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:z P:y P:z P:y P:y P:y P:y P:z P:y P:z P:x P:x P:y P:x P:x P:y P:y P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 30 28 27 18 11 19 24 22 21 23 14 12 15 23 24 15 22 21 14 18 19 37 11 14 O O O O O O O O O O O O O O O O O O O O O O O O O -8.336 2.00 772 A 20.67 18.52 5.31 4.73 4.55 4.36 3.61 3.26 1.87 1.74 1.72 1.70 1.64 1.51 1.47 1.45 1.36 1.35 1.25 1.19 1.10 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:y P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:y P:z P:z P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 31 25 26 32 37 38 39 41 36 33 34 35 27 32 42 40 22 21 28 29 O O O O O O O O O O O O O O O O O O O O O O -8.326 2.00 773 A 14.88 13.26 12.09 10.94 7.43 4.47 3.83 3.76 3.60 3.17 2.99 2.81 1.55 1.40 1.38 1.38 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:x P:y P:x P:x P:x P:x P:x P:y P:y P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 20 13 17 26 32 22 25 21 23 24 31 25 26 28 28 27 O O O O O O O O O O O O O O O O O -8.315 2.00 774 A 15.88 13.94 10.79 9.19 9.00 5.59 4.56 3.54 3.13 2.60 2.48 1.48 1.44 1.38 1.33 1.30 1.29 1.28 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:z P:x P:y P:y P:y P:y P:y P:x P:y P:x P:x P:z P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 19 14 31 18 26 27 28 29 32 30 25 22 31 32 13 21 17 22 O O O O O O O O O O O O O O O O O O O -8.254 2.00 775 A 7.69 7.56 7.52 7.51 7.48 7.40 7.37 7.22 5.28 4.30 4.16 3.95 1.22 1.16 1.15 1.14 1.14 1.14 1.13 1.11 1.11 1.10 1.09 1.09 1.07 1.05 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x P:y P:y P:y P:x P:y P:y P:y P:x P:y P:x P:x P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 28 27 29 22 24 23 21 25 26 32 31 18 16 20 17 14 24 22 13 15 23 30 19 28 29 21 27 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.244 2.00 776 A 13.93 12.69 9.22 8.68 8.59 6.11 6.01 5.33 3.96 3.60 2.16 2.13 1.98 1.95 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:y P:z P:x P:z P:z P:z P:z P:z P:x P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 32 14 31 18 26 17 13 16 20 19 32 15 25 31 O O O O O O O O O O O O O O O -3.963 0.00 777 A 7.57 7.55 7.47 7.40 7.24 7.18 7.15 6.86 2.62 2.61 2.60 2.58 2.57 2.56 2.55 2.49 1.25 1.19 1.17 1.07 1.05 1.04 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 D:yz D:xz D:yz D:yz D:yz D:xz D:xz D:xz P:x P:y P:y P:y P:y P:x P:x P:x D:yz D:yz D:yz D:yz D:xz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1 8 4 3 2 5 6 7 24 29 27 30 28 21 22 23 6 7 8 5 4 1 W W W W W W W W O O O O O O O O W W W W W W -3.062 0.00 778 A 9.49 9.39 8.79 8.76 5.00 4.69 4.44 4.40 4.26 4.18 4.12 3.97 1.60 1.44 1.42 1.34 1.03 3 3 3 3 3 3 3 1 3 1 1 1 3 3 3 3 1 D:xz D:xz D:xz D:xz D:yz D:yz D:yz P:z D:yz P:z P:z P:z D:xz D:xz D:xz D:xz P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 8 5 7 6 4 2 1 20 3 16 13 17 4 1 2 3 21 W W W W W W W O W O O O W W W W O -3.055 0.00 779 A 10.00 9.97 9.11 8.86 4.83 4.53 4.46 4.42 4.18 4.17 3.99 3.97 1.83 1.71 1.69 1.51 3 3 3 3 3 3 1 1 3 3 1 1 3 3 3 3 D:yz D:yz D:yz D:yz D:xz D:xz P:z P:z D:xz D:xz P:z P:z D:yz D:yz D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 3 1 4 2 8 6 19 15 5 7 18 14 6 7 8 5 W W W W W W O O W W O O W W W W -2.776 0.00 780 A 12.36 10.77 10.00 8.67 3.05 2.88 2.81 2.80 2.65 2.59 2.54 2.50 2.44 2.40 2.30 2.30 2.23 2.15 2.08 1.93 1.34 1.33 1.28 1.27 1.25 1.19 1.09 1.00 3 3 3 3 3 3 3 1 3 1 1 1 1 3 3 1 3 1 1 3 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:xz D:xz P:z D:yz P:z P:z P:z P:z D:yz D:xz P:z D:yz P:z P:z D:xz P:y P:x P:y P:x P:x P:y P:y P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 10 9 10 9 4 7 5 18 2 14 20 17 13 3 8 19 1 16 15 6 29 24 30 23 22 27 28 21 W W W W W W W O W O O O O W W O W O O W O O O O O O O O -2.678 0.00 781 A 15.43 13.68 12.42 11.09 1.82 1.82 1.81 1.74 1.71 1.68 1.66 1.58 1.57 1.55 1.52 1.50 1.49 1.44 1.39 1.39 1.35 1.34 1.30 1.23 1.20 1.18 1.14 1.08 3 3 3 3 1 1 1 1 3 1 1 1 3 3 3 1 3 1 1 1 3 3 1 1 1 3 1 1 D:xy D:xy D:x2-y2 D:x2-y2 P:y P:x P:y P:x D:yz P:x P:y P:y D:xz D:xz D:yz P:x D:xz P:z P:z P:z D:yz D:yz P:z P:z P:z D:xz P:z P:z -4.382 -4.382 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1.85 1.79 1.73 1.67 1.65 3 3 3 3 1 1 1 1 3 3 3 3 1 1 3 3 D:xz D:xz D:xz D:xz P:z P:z P:z P:z D:xz D:xz D:yz D:yz P:x P:x D:yz D:yz -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 4 1 3 2 36 33 35 34 10 9 1 4 38 37 2 3 W W W W O O O O W W W W O O W W -2.381 0.00 784 A 5.75 5.29 5.19 4.85 4.23 4.00 3.84 3.45 3.37 3.28 3.13 3.06 2.97 2.35 2.25 2.02 1.91 1.70 1.49 1.46 1.40 1.22 1.21 1.17 1.17 1.15 1.15 1.14 1.13 1.13 1.07 1.03 1.01 3 3 3 3 3 3 3 1 1 1 1 3 3 3 3 3 3 3 3 3 3 1 3 1 1 3 1 1 1 1 1 3 3 D:xz D:yz D:xz D:yz D:yz D:yz D:xz P:x P:y P:y P:x D:xz D:xy D:x2-y2 D:xy D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy P:x D:xy P:y P:x D:xz P:y P:y P:x P:y P:x D:x2-y2 D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 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6.59 5.56 5.38 5.07 4.89 4.77 4.75 4.64 4.58 4.32 4.24 3.75 2.78 1.60 1.54 1.52 1.08 1.04 3 3 3 3 3 1 3 3 1 1 3 1 3 3 3 3 3 3 3 D:xy D:xy D:xy D:x2-y2 D:x2-y2 P:x D:xy D:x2-y2 P:y P:y D:x2-y2 P:x D:xz D:yz D:xz D:yz D:yz D:yz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1 6 5 5 2 40 2 1 33 34 6 39 6 2 7 1 3 4 8 W W W W W O W W O O W O W W W W W W W -2.180 0.00 787 A 8.53 7.83 6.40 5.98 5.94 5.74 5.45 5.09 3.66 3.43 2.79 2.66 2.50 2.43 2.34 2.33 1.31 1.27 1.17 1.16 1.08 1.05 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 D:yz D:yz D:yz D:yz D:xz D:xz D:xz D:xz P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:xz D:yz D:xz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 5 7 8 6 4 1 2 3 39 41 42 36 33 40 35 34 12 11 7 4 8 3 W W W W W W W W O O O O O O O O O O W W W W -2.154 0.00 788 A 7.50 7.21 6.40 6.37 6.34 6.19 5.17 4.59 3.40 3.25 3.07 3.00 2.93 2.87 2.30 2.10 1.25 1.10 1.07 1.04 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 3 3 D:xz D:xz D:yz D:yz D:xz D:xz D:yz D:yz P:z P:z P:z P:z P:z P:z P:z P:z D:yz D:yz D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 4 1 5 7 3 2 8 6 36 33 35 34 39 41 42 40 4 3 2 1 W W W W W W W W O O O O O O O O W W W W -1.922 0.00 789 A 9.43 8.74 7.35 6.99 4.19 4.03 3.84 3.53 3.51 3.03 1.91 1.87 1.87 1.86 1.85 1.57 1.51 1.47 1.18 1.08 1.06 3 3 3 3 1 3 1 3 3 3 3 3 1 1 1 1 1 1 3 3 3 D:xz D:xz D:xz D:xz P:x D:yz P:x D:yz D:yz D:yz D:xz D:xz P:z P:z P:y P:y P:z P:z 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-1.713 0.00 791 A 12.12 12.08 7.68 6.45 4.79 4.57 4.46 3.86 2.88 2.73 2.71 2.21 2.19 1.81 1.74 1.47 1.23 1.07 1.06 1.04 1.02 3 3 3 3 3 1 1 3 1 1 1 3 3 1 1 1 3 3 3 4 4 D:yz D:yz D:yz D:yz D:yz P:y P:y D:yz P:z P:z P:y D:xz D:xz P:z P:y P:z D:z2 D:yz D:xz D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 4.723 4.723 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.00 0.00 10 9 8 6 5 37 38 7 42 40 26 9 10 39 25 41 6 3 8 10 9 W W W W W O O W O O O W W O O O W W W W W -1.710 0.00 792 A 12.03 11.74 6.56 5.73 4.89 4.67 4.58 4.50 2.68 2.67 2.43 2.29 2.17 2.12 2.12 2.05 1.03 1.02 1.01 3 3 3 3 3 3 1 1 3 3 1 1 1 1 1 1 3 3 4 D:xz D:xz D:xz D:xz D:xz D:xz P:x P:x D:yz D:yz P:z P:x P:z P:x P:z P:z D:z2 D:xz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 4.723 0.80 0.80 0.80 0.80 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5.31 4.71 3.53 3.36 3.25 2.74 2.33 2.21 2.12 2.11 2.08 2.07 1.96 1.96 1.91 1.89 1.82 1.80 1.73 1.58 1.38 1.28 1.16 1.12 1.05 1.03 1.01 3 3 3 3 3 3 3 3 1 3 1 1 1 1 3 1 3 3 1 3 1 3 3 1 1 1 1 3 3 D:yz D:xz D:xz D:yz D:xz D:yz D:yz D:x2-y2 P:z D:xz P:z P:z P:z P:z D:z2 P:z D:xy D:z2 P:z D:z2 P:z D:z2 D:xy P:x P:y P:y P:x D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 5 1 4 8 2 6 7 3 34 3 39 40 41 33 2 35 4 7 36 3 42 6 7 32 25 26 31 1 3 W W W W W W W W O W O O O O W O W W O W O W W O O O O W W -1.509 0.00 795 A 11.40 10.74 9.90 8.75 6.57 6.34 2.78 2.62 2.40 2.34 2.27 2.20 1.57 1.46 1.45 1.36 1.34 1.31 1.18 1.06 3 3 3 3 1 1 3 1 3 3 1 3 3 1 1 3 1 1 3 1 D:xy D:xy D:x2-y2 D:x2-y2 P:x P:x D:xz P:x D:xy D:x2-y2 P:x D:xy D:xz P:x P:x D:x2-y2 P:x P:x D:xz P:y -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 8 7 8 7 41 42 7 20 6 5 17 5 9 39 18 6 40 19 10 42 W W W W O O W O W W O W W O O W O O W O -1.507 0.00 796 A 10.57 10.22 9.08 7.66 6.13 5.98 3.56 2.73 2.46 2.43 2.01 1.89 1.76 1.69 1.65 1.48 1.29 1.28 1.26 1.17 1.01 3 3 3 3 1 1 3 3 1 1 3 3 3 1 1 3 1 3 1 3 3 D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y D:xy D:x2-y2 P:y P:y D:x2-y2 D:xy D:yz P:y P:y D:xz P:y D:yz P:y D:yz D:yz -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 4 3 4 3 36 35 1 2 18 19 1 2 9 34 33 3 17 10 20 3 2 W W W W O O W W O O W W W O O W O W O W W -1.465 0.00 797 A 6.86 6.26 5.65 5.65 5.29 5.13 4.72 3.81 3.73 3.35 3.24 3.23 3.18 3.09 2.24 1.99 1.60 1.48 1.47 1.47 1.45 1.41 1.15 1.07 1.00 3 3 3 3 3 3 3 1 3 1 1 1 1 1 3 3 3 3 3 3 3 3 1 1 1 D:xy D:xy D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:y D:x2-y2 P:x P:x P:x P:x P:y D:xy D:xy D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:y P:y P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 2 1 5 5 6 6 2 34 1 39 16 13 40 33 4 3 4 8 3 7 7 8 36 35 20 W W W W W W W O W O O O O O W W W W W W W W O O O -1.460 0.00 798 A 7.46 6.99 6.69 6.27 4.93 4.75 4.48 4.34 3.78 3.74 3.73 3.67 3.22 2.90 1.61 1.57 1.57 1.45 1.42 1.36 1.13 1.01 3 3 3 3 3 3 3 3 1 1 1 1 1 1 3 3 3 3 3 3 3 3 D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:y P:y P:x P:x P:y P:y D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 6 5 1 1 5 2 2 6 33 15 39 40 14 34 3 7 8 4 3 4 8 7 W W W W W W W W O O O O O O W W W W W W W W -1.416 0.00 799 A 6.39 6.19 5.21 5.04 3.97 3.92 3.85 3.76 3.72 3.68 3.48 3.39 1.90 1.90 1.90 1.85 1.84 1.83 1.81 1.80 1.68 1.68 1.67 1.66 1.63 1.58 1.56 1.55 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:xz D:yz D:xz D:yz D:yz D:xz D:xz P:y P:y P:x P:y P:x P:x P:y P:x P:z P:z P:z P:z P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 10 9 10 9 4 5 3 8 2 1 7 6 29 30 23 28 24 21 27 22 14 18 20 13 19 17 15 16 W W W W W W W W W W W W O O O O O O O O O O O O O O O O -1.177 0.00 800 A 20.40 19.87 6.72 6.55 3.50 3.40 3.09 2.97 1.94 1.92 1.87 1.86 1.74 1.70 1.64 1.51 1.38 1.27 1.07 1.04 1.02 3 3 1 1 3 3 1 1 1 1 1 1 4 4 3 3 3 3 1 1 3 D:xz D:xz P:x P:x D:yz D:yz P:x P:x P:x P:z P:x P:z D:xz D:xz D:xz D:xz D:xz D:xz P:y P:y D:z2 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 4.723 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 10 9 38 37 10 9 30 27 29 29 28 28 10 9 4 1 3 2 38 37 10 W W O O W W O O O O O O W W W W W W O O W -1.176 0.00 801 A 21.10 20.59 6.78 6.63 2.89 2.78 2.74 2.70 2.28 2.20 1.85 1.81 1.80 1.78 1.76 1.66 1.41 1.25 1.01 1.01 3 3 1 1 3 3 1 1 1 1 1 4 3 4 1 3 3 3 1 1 D:yz D:yz P:y P:y D:xz D:xz P:y P:y P:y P:y P:z D:yz D:yz D:yz P:z D:yz D:yz D:yz P:x P:z -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 -4.382 4.723 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.00 1.33 0.80 0.80 0.80 1.33 1.33 10 9 38 37 10 9 24 21 23 22 23 10 5 9 22 8 7 6 38 21 W W O O W W O O O O O W W W O W W W O O -1.008 0.00 802 A 10.92 10.43 4.85 4.67 3.48 3.30 3.07 2.91 2.23 2.14 2.13 2.00 1.66 1.64 1.63 1.59 1.57 1.41 1.34 1.30 1.24 1.21 1.18 1.17 3 3 3 3 1 1 3 3 3 1 3 1 1 1 3 1 1 3 3 3 1 1 1 1 D:xz D:xz D:xz D:xz P:x P:x D:xz D:xz D:z2 P:x D:z2 P:x P:x P:x D:yz P:x P:x D:yz D:yz D:yz P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 9 10 1 4 37 38 2 3 2 27 3 30 32 31 5 28 29 8 7 6 34 33 36 35 W W W W O O W W W O W O O O W O O W W W O O O O -1.007 0.00 803 A 11.48 11.19 4.99 4.22 3.51 3.50 3.41 3.19 2.13 2.04 2.00 1.95 1.94 1.88 1.75 1.75 1.72 1.58 1.42 1.21 1.18 1.18 1.18 1.02 3 3 3 3 1 3 1 3 3 3 1 3 3 1 1 1 1 1 1 3 1 1 3 1 D:yz D:yz D:yz D:yz P:y D:yz P:y D:yz D:z2 D:xz P:y D:xz D:z2 P:y P:y P:y P:y P:y P:z D:xz P:z P:z D:xz P:z -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 9 10 5 8 37 7 38 6 7 1 21 4 6 24 25 23 22 26 39 5 42 41 8 40 W W W W O W O W W W O W W O O O O O O W O O W O -0.843 0.00 804 A 3.60 3.18 3.03 2.91 2.86 2.60 2.46 2.40 2.36 2.32 2.31 2.20 2.19 2.02 1.99 1.98 1.92 1.84 1.81 1.79 1.71 1.69 1.64 1.63 1.62 1.60 1.50 1.45 1.38 1.35 1.19 1.16 1.12 3 3 3 3 3 3 3 1 3 1 3 3 3 3 1 3 3 3 3 1 3 1 3 1 3 1 3 3 3 1 3 3 3 D:xy D:x2-y2 D:xy D:xy D:xy D:xy D:x2-y2 P:x D:x2-y2 P:y D:xy D:xz D:x2-y2 D:xz P:y D:x2-y2 D:xy D:yz D:x2-y2 P:x D:yz P:x D:x2-y2 P:y D:xy P:y D:xy D:x2-y2 D:xy P:x D:x2-y2 D:x2-y2 D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 3 7 7 2 8 5 4 17 3 18 4 5 6 8 19 2 6 1 8 20 4 16 1 14 1 15 9 5 10 13 9 10 2 W W W W W W W O W O W W W W O W W W W O W O W O W O W W W O W W W -0.733 0.00 805 A 4.24 4.23 3.87 3.75 3.70 3.55 3.52 3.37 3.35 3.18 3.09 3.07 3.00 2.97 2.85 2.78 2.77 2.76 2.71 2.69 2.68 2.60 2.51 2.40 1.60 1.59 1.55 1.51 1.46 1.44 1.33 1.21 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y P:y P:x P:x D:x2-y2 D:x2-y2 P:x P:y P:x P:x P:x P:y P:y P:x P:y P:y P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 5 4 7 2 1 8 3 8 5 6 4 2 7 3 14 18 19 20 13 6 1 17 15 16 39 41 36 35 42 34 33 40 W W W W W W W W W W W W W W O O O O O W W O O O O O O O O O O O -0.663 0.00 806 A 4.18 4.13 3.96 3.61 3.04 3.03 2.72 2.65 2.50 2.45 1.95 1.85 1.70 1.55 1.53 1.51 1.47 1.44 1.43 1.31 1.29 1.25 1.25 1.14 1.07 1.03 1.02 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 1 1 3 3 1 3 1 3 1 1 1 D:xz D:yz D:xz D:yz D:yz D:yz D:xz D:xy D:x2-y2 D:xz D:xy D:xy D:xy D:x2-y2 P:x D:x2-y2 D:xy P:y P:z D:xy D:x2-y2 P:z D:x2-y2 P:z D:x2-y2 P:x P:y P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 6 2 7 3 4 1 5 1 5 8 9 10 5 9 13 10 4 14 16 6 8 17 2 14 1 25 15 32 W W W W W W W W W W W W W W O W W O O W W O W O W O O O -0.625 0.00 807 A 5.31 5.03 4.99 4.90 4.41 4.10 4.04 4.02 2.97 2.92 2.82 2.80 2.36 2.33 2.24 2.20 1.77 1.73 1.73 1.71 1.71 1.70 1.65 1.58 1.48 1.13 1.13 1.07 1.07 1.04 1.04 -1.04 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 1 5 1 1 1 2 1 1 5 5 2 1 3 5 5 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:y P:y P:x P:y P:x P:x P:y P:x S P:x P:y P:y P:x S P:y S P:y P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.094 0.094 0.094 -9.955 0.094 -9.955 -9.955 -9.955 -27.198 -9.955 -9.955 0.094 0.094 -27.198 -9.955 23.286 0.094 0.094 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 1.33 0.00 1.33 1.33 1.33 2.00 1.33 1.33 0.00 0.00 2.00 1.33 0.00 0.00 0.00 4 8 3 7 8 3 4 7 1 2 5 6 5 6 1 2 8 7 4 42 3 36 41 35 12 33 39 5 1 11 40 12 6 2 W W W W W W W W W W W W W W W W W W W O W O O O O O O W W O O O W W -0.568 0.00 808 A 4.90 4.19 4.06 4.04 3.91 3.42 3.28 3.15 2.43 2.38 2.36 2.15 2.14 2.00 1.96 1.86 1.85 1.84 1.76 1.60 1.58 1.58 1.57 1.46 1.31 1.30 1.25 1.20 1.02 1.01 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 2 2 2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:z2 D:x2-y2 D:z2 D:z2 D:z2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:xy D:z2 D:xy D:xy P:x P:y P:y P:x S S S -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.094 0.094 0.094 0.094 -27.198 -27.198 -27.198 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.00 2.00 2.00 2.00 1 2 5 6 5 6 1 2 2 4 6 7 3 8 3 7 8 1 5 4 3 8 7 4 2 5 6 1 13 16 15 W W W W W W W W W W W W W W W W W W W W W W W W W W W W O O O 0.075 0.00 809 A 6.32 4.43 3.89 3.66 3.66 3.54 3.51 3.47 3.13 3.10 2.95 2.49 2.48 2.29 2.19 -2.17 2.04 2.03 1.91 1.85 1.77 1.77 -1.74 1.72 1.69 1.60 1.60 1.50 1.38 1.35 1.34 1.31 1.31 1.30 1.25 -1.10 1.06 1.06 1.05 1.02 1.02 7 7 2 7 7 2 2 2 2 7 7 2 2 2 2 2 2 2 2 1 2 6 2 7 1 2 2 1 6 1 2 1 2 1 2 1 1 1 1 2 1 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 1.678 1.678 3.073 1.678 1.678 3.073 3.073 3.073 3.073 1.678 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 -6.463 3.073 1.678 -6.581 3.073 3.073 -6.581 -6.463 -6.581 3.073 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 1.00 2.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 7 5 75 2 4 73 123 139 132 1 3 142 126 57 55 140 64 119 149 132 65 7 124 9 123 128 150 139 5 126 173 75 74 73 135 140 149 119 142 76 55 W W H W W H H H H W W H H H H H H H H H H W H W H H H H W H H H H H H H H H H H H 0.196 0.00 810 A 3.77 3.51 3.10 2.33 2.29 2.26 2.11 2.10 2.03 2.03 1.95 1.74 1.67 1.66 1.61 1.59 1.58 1.56 1.55 1.50 1.47 1.46 1.43 1.33 1.24 1.18 1.18 1.15 -1.14 1.12 1.11 -1.10 1.10 1.08 1.06 1.03 1.02 1.01 2 2 2 2 2 2 2 7 2 2 7 2 2 2 2 1 2 2 7 7 2 1 2 1 1 1 2 2 2 2 6 2 2 2 2 7 1 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 1.678 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 1.678 1.678 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 3.073 3.073 3.073 -6.463 3.073 3.073 3.073 3.073 1.678 -6.581 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 183 172 173 103 165 181 166 3 174 123 2 132 126 182 150 173 142 119 1 4 128 172 117 183 166 103 186 161 157 44 2 124 135 180 177 8 132 95 H H H H H H H W H H W H H H H H H H W W H H H H H H H H H H W H H H H W H H 0.236 0.00 811 A 2.27 2.16 1.94 1.92 1.91 1.88 1.87 1.84 1.56 1.54 1.54 1.45 1.45 1.40 1.39 1.32 1.19 1.15 1.14 1.14 1.13 1.11 1.10 1.10 1.09 1.08 1.07 1.07 1.04 1.03 1.01 2 2 2 2 2 2 2 2 2 2 7 2 2 2 2 7 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 3.073 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 75 103 102 65 57 55 74 64 95 110 2 78 119 123 117 4 114 111 73 118 126 115 96 135 66 103 101 58 128 172 94 H H H H H H H H H H W H H H H W H H H H H H H H H H H H H H H 0.271 0.00 812 A 1.93 1.71 1.67 1.60 1.60 1.59 1.57 1.48 1.40 1.39 1.39 1.36 1.28 1.27 1.27 1.24 1.19 1.19 1.14 1.07 1.04 1.04 1.02 1.00 2 2 3 3 2 2 2 2 2 2 2 2 6 2 2 2 6 2 2 2 2 2 2 2 S S D:z2 D:z2 S S S S S S S S S S S S S S S S S S S S 3.073 3.073 -4.382 -4.382 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.463 3.073 3.073 3.073 -6.463 3.073 3.073 3.073 3.073 3.073 3.073 3.073 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 114 9 10 110 174 109 101 100 94 182 92 10 93 102 118 9 173 105 166 183 91 89 167 H H W W H H H H H H H H W H H H W H H H H H H H 0.290 0.00 813 A 5.11 4.90 4.42 3.97 3.48 2.38 2.36 2.31 2.30 2.29 2.12 2.00 1.69 1.52 1.50 1.48 1.47 1.32 1.29 1.20 1.18 1.08 3 3 6 6 7 5 3 3 3 5 7 3 3 3 1 3 1 3 3 3 3 3 D:z2 D:z2 S S S P:z D:z2 D:z2 D:z2 P:z S D:z2 D:xz D:xz P:z D:z2 P:z D:yz D:yz D:z2 D:z2 D:z2 -4.382 -4.382 -6.463 -6.463 1.678 0.094 -4.382 -4.382 -4.382 0.094 1.678 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 10 9 9 10 9 9 8 4 5 10 10 1 3 2 38 7 37 7 6 3 6 2 W W W W W W W W W W W W W W O W O W W W W W 0.377 0.00 814 A 5.44 5.00 4.80 4.62 4.06 3.88 3.79 -3.17 3.03 3.02 2.90 2.85 2.64 2.48 2.48 -2.33 2.31 2.18 2.14 2.13 1.96 1.93 1.92 -1.80 1.80 1.79 1.77 -1.72 1.72 1.63 1.56 1.56 1.52 1.51 1.51 1.51 -1.38 1.37 1.22 -1.11 1.07 1.05 -1.01 1.00 2 2 2 7 2 2 2 2 2 1 1 2 2 2 1 2 2 1 2 2 1 6 1 2 1 1 1 3 1 1 1 2 2 7 2 7 2 1 2 3 2 1 2 2 S S S S S S S P:y S S S S S S S P:y S S S S S S S P:y S S S S S S S S S S S S P:y S S S S S P:y S 3.073 3.073 3.073 1.678 3.073 3.073 3.073 5.519 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 5.519 3.073 -6.581 3.073 3.073 -6.581 -6.463 -6.581 5.519 -6.581 -6.581 -6.581 11.266 -6.581 -6.581 -6.581 3.073 3.073 1.678 3.073 1.678 5.519 -6.581 3.073 11.266 3.073 -6.581 5.519 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 2.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 138 146 147 4 137 127 145 225 134 123 127 154 148 131 134 223 126 126 151 123 119 4 146 226 138 137 145 236 131 148 147 136 129 7 119 10 234 154 133 232 150 151 230 130 H H H W H H H C H H H H H H H C H H H H H W H C H H H C H H H H H W H W C H H C H H C H 0.421 0.00 815 A 5.58 4.50 4.36 3.87 3.84 3.65 3.62 3.60 3.47 3.40 3.06 2.78 2.73 2.61 2.35 2.21 2.13 2.08 2.02 2.00 1.99 1.98 1.94 1.90 1.88 1.80 1.72 1.71 1.71 -1.71 -1.68 -1.67 -1.59 1.54 1.53 1.53 1.52 1.39 -1.38 -1.37 1.26 1.26 1.25 -1.24 -1.22 -1.19 1.16 1.13 1.13 1.12 -1.09 1.07 1.05 2 2 2 2 2 2 2 1 2 7 2 2 1 2 1 1 2 1 2 1 6 2 2 1 7 1 2 2 1 2 2 2 2 2 1 1 1 2 2 3 2 2 2 2 3 2 2 6 2 1 2 1 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:x P:x P:x P:y S S S S S P:y S S S S P:x S P:y S S S S P:x S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 1.678 3.073 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.581 3.073 -6.581 -6.463 3.073 3.073 -6.581 1.678 -6.581 3.073 3.073 -6.581 5.519 5.519 5.519 5.519 3.073 -6.581 -6.581 -6.581 3.073 5.519 11.266 3.073 3.073 3.073 5.519 11.266 5.519 3.073 -6.463 3.073 -6.581 5.519 -6.581 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 2.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 60 81 82 70 66 69 58 60 119 5 67 73 58 139 119 66 126 123 123 67 5 59 135 81 4 82 72 71 126 195 191 192 225 55 69 139 70 149 226 202 151 75 62 194 206 223 61 4 131 73 196 135 80 H H H H H H H H H W H H H H H H H H H H W H H H W H H H H C C C C H H H H H C C H H H C C C H W H H C H H 0.450 0.00 816 A 3.28 3.20 3.16 3.02 2.79 2.50 2.43 2.37 2.33 2.23 2.09 2.00 1.92 1.90 1.88 1.82 1.81 1.79 1.76 1.76 1.75 1.72 1.68 1.65 1.65 1.63 1.61 1.49 1.47 1.38 1.38 1.35 1.35 1.28 -1.25 1.24 1.24 -1.21 1.21 1.19 -1.17 1.16 1.14 1.11 1.09 1.08 1.07 -1.05 1.05 1.03 1.02 1.00 1.00 2 2 2 2 2 2 2 2 2 2 2 1 2 7 2 2 2 1 2 1 7 2 2 2 2 1 1 2 2 2 1 2 1 1 2 2 2 2 1 1 2 2 2 1 2 2 1 2 1 2 2 1 1 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:z S S P:x S S P:y S S S S S S P:z S S S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 1.678 3.073 3.073 3.073 -6.581 3.073 -6.581 1.678 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 5.519 3.073 3.073 5.519 -6.581 -6.581 5.519 3.073 3.073 -6.581 3.073 3.073 -6.581 5.519 -6.581 3.073 3.073 -6.581 -6.581 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 1.00 128 117 109 150 92 111 154 103 130 93 172 128 118 8 100 107 143 130 153 103 2 141 97 114 138 150 93 142 132 87 117 99 109 92 224 137 167 217 111 102 210 102 91 172 86 95 132 233 154 83 180 114 86 H H H H H H H H H H H H H W H H H H H H W H H H H H H H H H H H H H C H H C H H C H H H H H H C H H H H H 0.456 0.00 817 A 4.48 4.11 3.39 3.33 2.73 2.66 2.47 2.40 2.31 2.19 2.12 2.05 2.05 -2.02 1.91 1.90 1.87 -1.83 -1.80 1.73 1.73 1.72 1.70 1.68 -1.66 1.60 1.57 -1.54 1.53 1.47 -1.45 1.43 1.39 1.38 1.35 1.20 1.20 -1.18 1.16 1.15 1.15 1.12 1.11 -1.08 1.07 -1.06 1.04 1.04 1.02 2 2 2 2 2 1 1 2 1 2 2 2 2 2 7 2 2 2 2 1 1 2 2 7 2 7 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 1 1 1 S S S S S S S S S S S S S P:z S S S P:z P:z S S S S S P:z S S P:z S S P:z S S S S S S P:z S S S S S P:z S P:z S S S 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 3.073 3.073 3.073 3.073 5.519 1.678 3.073 3.073 5.519 5.519 -6.581 -6.581 3.073 3.073 1.678 5.519 1.678 -6.581 5.519 3.073 3.073 5.519 3.073 3.073 3.073 3.073 3.073 3.073 5.519 3.073 3.073 -6.581 3.073 3.073 5.519 3.073 5.519 -6.581 -6.581 -6.581 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 128 150 142 132 143 128 132 153 150 141 130 117 154 224 2 145 109 223 229 122 130 122 92 8 227 7 142 226 168 175 233 111 103 93 127 100 46 237 118 97 143 178 107 228 167 225 103 153 93 H H H H H H H H H H H H H C W H H C C H H H H W C W H C H H C H H H H H H C H H H H H C H C H H H 0.472 0.00 818 A 7.16 5.80 4.41 4.16 3.92 3.66 3.57 3.19 3.16 3.14 3.03 2.93 2.84 2.58 2.57 2.42 2.39 -2.38 2.28 2.09 -1.99 1.97 1.96 1.91 -1.75 1.74 1.71 1.70 -1.66 1.63 1.54 1.53 1.47 1.32 1.32 -1.29 1.29 -1.28 -1.27 1.26 1.26 1.23 -1.23 1.22 1.17 1.13 1.11 -1.10 -1.06 -1.06 1.04 -1.02 2 2 2 2 2 1 2 2 2 2 7 1 2 2 1 1 1 2 2 1 2 1 2 1 2 2 1 2 2 2 1 1 6 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 S S S S S S S S S S S S S S S S S P:z S S P:z S S S P:z S S S P:y S S S S S S P:z S P:y P:y S S S P:z S S S S P:y P:z S S P:y 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 3.073 1.678 -6.581 3.073 3.073 -6.581 -6.581 -6.581 5.519 3.073 -6.581 5.519 -6.581 3.073 -6.581 5.519 3.073 -6.581 3.073 5.519 3.073 -6.581 -6.581 -6.463 -6.581 3.073 5.519 3.073 5.519 5.519 3.073 3.073 3.073 5.519 3.073 3.073 3.073 3.073 5.519 5.519 11.266 3.073 5.519 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 186 44 179 174 164 181 180 159 173 3 186 166 158 158 166 174 240 170 44 243 159 103 173 244 78 179 171 242 46 180 170 3 181 113 242 56 239 246 177 65 94 239 155 118 163 176 241 248 251 101 248 H H H H H H H H H H W H H H H H H C H H C H H H C H H H C H H H W H H C H C C H H H C H H H H C C C H C 0.502 0.00 819 A 4.88 4.26 3.56 3.18 2.83 2.72 2.63 2.63 2.31 2.27 2.11 2.08 2.02 1.95 1.94 -1.80 1.79 1.72 1.68 1.62 1.62 1.56 1.56 1.55 1.55 1.52 1.50 1.47 1.44 1.43 -1.40 1.39 1.39 1.29 1.27 1.25 -1.22 1.20 1.18 1.16 1.11 -1.10 -1.09 1.06 1.06 -1.05 1.05 1.03 -1.02 1.00 2 2 2 1 2 2 1 2 2 2 1 2 1 1 2 2 2 2 2 2 7 2 2 2 2 1 1 2 1 2 2 2 2 2 2 1 2 2 1 2 1 2 2 1 2 2 2 2 2 2 S S S S S S S S S S S S S S S P:z S S S S S S S S S S S S S S P:z S S S S S P:z S S S S P:z P:z S S S S S P:z S 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 3.073 5.519 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 3.073 5.519 3.073 3.073 3.073 3.073 -6.581 5.519 3.073 -6.581 3.073 -6.581 5.519 5.519 -6.581 3.073 3.073 3.073 3.073 5.519 3.073 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 178 168 162 168 177 159 178 155 78 105 162 176 159 155 94 208 110 183 79 106 1 114 89 86 182 94 86 115 177 74 207 50 161 56 58 105 239 181 50 84 176 212 240 78 166 169 130 46 211 175 H H H H H H H H H H H H H H H C H H H H W H H H H H H H H H C H H H H H C H H H H C C H H H H H C H 0.511 0.00 820 A 5.91 5.20 4.48 4.30 -4.03 3.95 3.35 3.25 3.23 3.22 3.13 -2.97 2.97 2.91 2.87 2.69 2.68 -2.67 2.66 2.66 2.63 2.63 2.57 2.45 -2.42 -2.27 -2.23 2.12 2.11 2.07 2.01 1.94 1.92 -1.92 -1.85 1.83 1.77 1.76 -1.75 1.72 1.59 1.54 1.51 1.48 -1.46 1.45 1.45 1.42 1.42 1.41 -1.40 1.35 1.35 1.32 1.30 1.30 -1.30 1.30 1.27 1.20 -1.16 -1.14 1.14 -1.11 1.11 -1.10 -1.08 1.06 1.04 -1.04 1.01 2 2 1 2 2 2 2 1 2 2 2 2 2 1 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 1 1 2 1 2 2 1 2 1 2 1 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 1 2 2 1 2 2 2 1 2 1 2 2 2 1 2 1 S S S S P:z S S S S S S P:z S S S S S P:z S S S S S S P:z P:z P:z S S S S S S P:z P:z S S S P:z S S S S S P:z S S S S S P:z S S S S S P:z S S S P:z P:z S P:z S P:z P:z S S P:z S 3.073 3.073 -6.581 3.073 5.519 3.073 3.073 -6.581 3.073 3.073 3.073 5.519 3.073 -6.581 3.073 3.073 3.073 5.519 -6.581 -6.581 3.073 3.073 3.073 -6.581 5.519 5.519 5.519 3.073 3.073 -6.581 -6.581 3.073 -6.581 5.519 5.519 -6.581 3.073 -6.581 5.519 -6.581 3.073 -6.581 -6.581 3.073 5.519 -6.581 3.073 3.073 3.073 -6.581 5.519 3.073 3.073 -6.581 3.073 -6.581 5.519 3.073 -6.581 3.073 5.519 5.519 -6.581 5.519 -6.581 5.519 5.519 3.073 -6.581 5.519 -6.581 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 94 105 94 114 208 89 182 86 115 86 84 207 186 105 110 177 158 212 84 89 45 92 166 158 240 210 211 101 118 114 166 161 92 209 215 182 88 110 239 101 156 88 177 160 241 186 106 164 163 156 244 178 91 115 100 160 216 107 161 113 242 243 45 218 100 213 247 167 164 220 118 H H H H C H H H H H H C H H H H H C H H H H H H C C C H H H H H H C C H H H C H H H H H C H H H H H C H H H H H C H H H C C H C H C C H H C H 0.526 0.00 821 A 6.54 5.44 5.38 4.88 4.83 4.64 4.20 3.61 3.02 2.76 2.66 -2.54 2.42 2.24 2.20 -2.10 2.06 -2.02 1.98 1.90 1.86 1.81 1.81 1.81 1.79 1.79 1.74 -1.70 1.67 1.67 1.62 -1.57 1.53 1.48 1.41 1.38 -1.34 1.30 1.30 -1.25 -1.20 1.15 1.11 1.11 1.10 1.10 1.07 1.04 1.04 1.02 2 2 1 2 2 2 1 1 2 2 1 2 1 1 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 7 2 2 2 1 2 2 2 1 1 1 1 2 2 1 2 2 S S S S S S S S S S S P:y S S S P:y S P:y S S S S S S S S S P:y S S S P:y S S S S P:y S S P:y S S S S S S S S S S 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 5.519 -6.581 -6.581 -6.581 5.519 3.073 5.519 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 5.519 3.073 3.073 3.073 5.519 3.073 1.678 3.073 3.073 5.519 -6.581 3.073 5.519 3.073 -6.581 -6.581 -6.581 -6.581 3.073 3.073 -6.581 3.073 3.073 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 87 90 87 104 102 83 90 83 106 96 104 210 102 106 96 209 79 218 172 99 118 110 103 98 64 59 98 207 112 74 45 214 167 8 180 101 208 99 48 213 88 59 48 64 172 53 113 91 85 57 H H H H H H H H H H H C H H H C H C H H H H H H H H H C H H H C H W H H C H H C H H H H H H H H H H 0.539 0.00 822 A 7.73 7.44 6.65 6.10 5.07 4.86 4.75 4.45 -3.39 -3.38 3.03 2.99 2.94 2.78 2.72 -2.71 2.70 -2.69 -2.63 -2.63 2.52 2.22 2.05 1.90 1.88 -1.87 1.83 -1.83 1.76 -1.75 1.71 1.69 -1.67 1.64 1.63 1.59 1.59 1.58 -1.58 1.49 1.47 1.43 1.36 1.35 1.34 1.30 1.30 1.22 1.21 1.16 1.16 1.15 1.14 -1.13 1.11 1.09 1.09 1.08 1.07 1.07 1.06 1.05 1.04 1.02 1.00 2 2 1 2 1 2 1 2 2 2 2 1 2 1 1 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 1 2 2 1 2 1 2 2 2 2 2 2 2 1 7 2 1 2 1 1 1 1 1 1 2 1 2 1 2 S S S S S S S S P:z P:z S S S S S P:z S P:z P:z P:z S S S S S P:z S P:z S P:z S S P:x S S S S S P:z S S S S S S S S S S S S S S S P:z S S S S S S S S S S 3.073 3.073 -6.581 3.073 -6.581 3.073 -6.581 3.073 5.519 5.519 3.073 -6.581 3.073 -6.581 -6.581 5.519 3.073 5.519 5.519 5.519 3.073 3.073 -6.581 -6.581 3.073 5.519 3.073 5.519 3.073 5.519 -6.581 3.073 5.519 3.073 3.073 3.073 -6.581 3.073 5.519 -6.581 3.073 -6.581 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 1.678 3.073 -6.581 3.073 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 3.073 -6.581 3.073 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.67 1.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 51 47 51 54 47 63 54 66 194 193 74 59 68 63 66 198 70 191 202 192 59 49 68 70 76 197 53 196 87 200 49 178 193 168 79 162 74 64 201 87 159 62 83 102 69 90 48 62 176 168 3 60 53 52 191 79 60 159 162 61 56 90 82 83 104 H H H H H H H H C C H H H H H C H C C C H H H H H C H C H C H H C H H H H H C H H H H H H H H H H H W H H H C H H H H H H H H H H 0.569 0.00 823 A 6.25 5.75 4.90 3.44 3.44 3.39 3.19 3.17 2.97 2.78 2.70 2.66 2.40 2.32 2.17 2.16 2.13 2.13 2.12 2.10 2.08 -2.01 2.00 -1.93 1.87 1.81 1.77 1.76 1.74 1.73 -1.71 1.66 1.60 1.59 1.53 1.52 1.47 1.46 1.43 1.43 -1.42 1.41 1.39 -1.35 1.34 1.34 1.33 1.32 1.29 1.25 -1.24 1.23 1.21 -1.17 1.17 1.16 1.13 -1.09 -1.08 -1.05 -1.04 -1.03 1.01 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 1 2 2 1 1 1 2 2 2 2 2 2 2 2 1 1 2 1 2 2 1 2 2 2 1 1 1 1 2 2 1 2 1 2 1 2 3 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S P:y S P:y S S S S S S P:x S S S S S S S S S P:x S S P:y S S S S S S P:x S S P:y S S S P:y S P:x P:y P:y S 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 3.073 5.519 -6.581 5.519 3.073 -6.581 -6.581 -6.581 3.073 3.073 5.519 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 5.519 3.073 -6.581 5.519 3.073 3.073 -6.581 -6.581 -6.581 -6.581 5.519 3.073 -6.581 5.519 -6.581 3.073 -6.581 5.519 11.266 5.519 5.519 5.519 3.073 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 78 56 51 136 56 82 68 51 78 58 159 129 58 77 50 65 159 131 120 50 151 194 136 191 66 129 82 120 162 62 223 130 176 155 125 47 77 62 71 162 226 139 54 192 54 69 68 65 131 155 224 79 125 195 47 137 130 241 205 228 242 196 121 H H H H H H H H H H H H H H H H H H H H H C H C H H H H H H C H H H H H H H H H C H H C H H H H H H C H H C H H H C C C C C H 0.586 0.00 824 A 4.91 4.03 3.75 3.40 3.06 2.99 2.84 2.83 2.60 2.46 -2.40 2.39 2.30 2.26 -2.09 -2.06 2.06 1.93 1.90 1.87 -1.85 1.76 1.63 -1.63 1.61 1.59 1.56 1.55 1.52 1.49 1.48 1.47 1.41 -1.39 1.37 1.35 1.34 1.32 -1.31 -1.31 1.31 1.30 1.29 -1.29 -1.28 1.22 1.21 1.20 1.17 -1.17 1.16 1.15 1.14 1.13 1.12 1.11 1.09 1.09 -1.08 -1.08 1.08 1.08 1.05 1.05 1.05 1.02 1.01 2 2 2 1 2 2 1 1 2 2 2 2 1 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 1 1 S S S S S S S S S S P:x S S S P:y P:y S S S S P:x S S P:x S S S S S S S S S P:x S S S S P:y P:y S S S P:x P:x S S S S P:y S S S S S S S S P:y P:x S S S S S S S 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 3.073 3.073 5.519 3.073 -6.581 -6.581 5.519 5.519 -6.581 3.073 3.073 3.073 5.519 -6.581 3.073 5.519 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 5.519 3.073 -6.581 3.073 3.073 5.519 5.519 3.073 3.073 -6.581 5.519 5.519 3.073 -6.581 -6.581 3.073 5.519 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 3.073 5.519 5.519 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 136 129 159 159 155 131 136 129 151 162 223 120 155 162 241 242 120 139 60 174 226 131 75 224 145 153 147 133 57 176 130 137 70 228 121 167 44 64 246 239 125 132 60 232 231 170 121 174 68 250 164 171 125 167 169 104 170 54 245 236 51 67 87 151 137 176 133 H H H H H H H H H H C H H H C C H H H H C H H C H H H H H H H H H C H H H H C C H H H C C H H H H C H H H H H H H H C C H H H H H H H 0.610 0.00 825 A 4.38 3.72 3.63 3.56 3.33 2.82 2.81 2.62 2.62 2.58 2.56 2.56 2.37 2.35 -2.18 2.13 2.07 1.98 1.97 1.94 1.84 1.81 1.81 1.80 1.73 1.69 1.59 1.59 1.54 1.52 -1.50 -1.48 1.47 -1.46 1.42 1.37 1.34 1.33 -1.33 1.31 1.29 1.25 1.24 1.20 1.20 -1.17 1.16 1.09 1.09 1.07 1.07 1.07 1.07 1.06 1.05 1.04 -1.02 -1.00 2 2 2 2 2 2 2 2 2 1 1 2 1 2 2 2 1 2 2 2 2 2 2 1 2 1 1 1 2 1 2 2 2 2 7 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 2 2 2 S S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S S P:x P:x S P:x S S S S P:x S S S S S S P:x S S S S S S S S S S P:x P:x 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 3.073 5.519 3.073 -6.581 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 5.519 5.519 3.073 5.519 1.678 3.073 -6.581 -6.581 5.519 3.073 -6.581 3.073 3.073 -6.581 -6.581 5.519 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 3.073 -6.581 3.073 5.519 5.519 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 100 175 93 165 183 96 167 46 173 100 93 109 165 111 207 103 175 106 169 95 168 156 45 96 172 173 167 183 104 156 210 240 115 242 6 117 46 109 248 181 169 84 113 111 84 239 97 166 168 60 108 106 172 161 103 101 208 211 H H H H H H H H H H H H H H C H H H H H H H H H H H H H H H C C H C W H H H C H H H H H H C H H H H H H H H H H C C 0.705 0.00 826 A 5.73 5.66 4.69 4.59 4.16 4.06 3.97 3.56 2.94 2.80 2.24 2.24 2.16 2.11 2.09 2.00 1.10 1.09 1.08 1.07 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 3 D:x2-y2 D:x2-y2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xz D:xz D:z2 D:z2 D:yz D:z2 D:z2 D:yz P:x P:x P:y P:y D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 10 9 10 9 1 8 4 5 2 3 7 2 7 3 6 6 31 32 26 25 8 W W W W W W W W W W W W W W W W O O O O W 0.741 0.00 827 A 7.32 5.64 4.28 4.11 3.76 3.62 3.36 2.96 2.90 2.82 2.39 2.08 2.04 1.96 1.95 1.90 1.89 1.88 1.87 1.80 1.75 1.74 -1.61 1.50 1.47 1.46 1.42 -1.40 1.38 1.36 1.32 1.23 1.23 1.23 1.12 1.09 1.08 -1.07 1.07 1.06 1.05 7 7 2 7 7 7 2 2 2 1 2 2 6 1 7 2 1 1 2 6 2 6 2 6 2 2 1 2 1 6 2 2 7 1 1 2 2 2 2 1 2 S S S S S S S S S S S S S S S S S S S S S S P:z S S S S P:z S S S S S S S S S P:z S S S 1.678 1.678 3.073 1.678 1.678 1.678 3.073 3.073 3.073 -6.581 3.073 3.073 -6.463 -6.581 1.678 3.073 -6.581 -6.581 3.073 -6.463 3.073 -6.463 5.519 -6.463 3.073 3.073 -6.581 5.519 -6.581 -6.463 3.073 3.073 1.678 -6.581 -6.581 3.073 3.073 5.519 3.073 -6.581 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 1.00 0.00 0.00 1.00 1.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 0.00 1.00 2.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 9 10 72 7 3 5 146 76 149 122 122 147 9 72 2 130 146 130 127 7 81 5 224 10 145 154 76 228 54 3 82 71 4 127 149 47 54 194 141 147 61 W W H W W W H H H H H H W H W H H H H W H W C W H H H C H W H H W H H H H C H H H 0.761 0.00 828 A 7.77 5.32 5.05 4.09 3.42 3.29 2.99 2.93 2.77 2.66 2.56 2.54 2.46 2.34 2.26 2.04 1.96 1.81 1.79 1.72 1.70 1.63 1.62 1.62 -1.60 1.53 1.41 1.40 -1.35 1.33 1.32 -1.32 1.23 1.14 -1.09 1.08 1.02 1.02 -1.01 7 7 2 6 7 2 2 7 1 1 1 2 6 1 7 1 2 1 1 2 2 2 7 2 2 2 2 1 2 2 6 2 2 6 2 1 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S P:x S S S P:y S S P:x S S P:y S S S P:x 1.678 1.678 3.073 -6.463 1.678 3.073 3.073 1.678 -6.581 -6.581 -6.581 3.073 -6.463 -6.581 1.678 -6.581 3.073 -6.581 -6.581 3.073 3.073 3.073 1.678 3.073 5.519 3.073 3.073 -6.581 5.519 3.073 -6.463 5.519 3.073 -6.463 5.519 -6.581 3.073 3.073 5.519 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 2.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 8 6 180 8 10 172 87 9 87 180 103 103 6 162 3 159 162 172 83 159 44 83 1 90 217 176 60 90 209 92 10 239 181 9 242 60 114 67 247 W W H W W H H W H H H H W H W H H H H H H H W H C H H H C H W C H W C H H H C 0.866 0.00 829 A 4.74 4.48 3.92 3.66 3.39 3.37 3.23 3.22 2.89 2.87 2.73 2.72 2.66 2.57 2.56 -2.50 2.44 2.32 2.27 2.19 2.17 2.16 2.09 2.08 2.08 1.94 1.85 1.82 1.60 1.42 -1.38 1.33 1.33 1.30 1.28 1.20 1.15 -1.12 1.09 1.09 1.07 -1.06 -1.06 1.04 7 2 1 2 2 2 2 6 2 2 1 1 2 7 2 2 2 6 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 2 2 2 1 2 2 2 2 1 S S S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S P:y S S S S S S P:x S S S P:x P:z S 1.678 3.073 -6.581 3.073 3.073 3.073 3.073 -6.463 3.073 3.073 -6.581 -6.581 3.073 1.678 3.073 5.519 3.073 -6.463 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 5.519 3.073 3.073 3.073 -6.581 3.073 3.073 5.519 -6.581 3.073 3.073 5.519 5.519 -6.581 0.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 7 60 60 70 138 81 145 7 139 78 138 70 136 5 154 197 147 5 56 129 136 78 81 145 139 129 119 147 56 134 194 180 119 80 154 67 65 231 121 58 63 205 228 53 W H H H H H H W H H H H H W H C H W H H H H H H H H H H H H C H H H H H H C H H H C C H 0.908 0.00 830 A 3.90 3.44 3.25 3.04 2.55 2.53 2.46 2.23 2.09 2.03 1.97 1.95 1.94 -1.93 1.90 1.82 1.68 1.68 1.63 1.61 1.57 1.57 1.54 1.52 1.46 1.46 1.45 1.43 1.40 -1.36 1.31 1.28 1.27 1.27 1.22 1.22 1.19 1.15 1.12 1.10 1.08 1.05 1.05 -1.04 1.01 2 7 2 1 6 1 2 2 1 2 2 1 1 2 2 7 2 2 2 2 2 1 2 2 1 2 1 6 2 2 1 2 1 1 1 1 2 2 2 1 2 2 1 2 1 S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S S P:y S S S S S S S S S S S S S P:x S 3.073 1.678 3.073 -6.581 -6.463 -6.581 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 5.519 3.073 1.678 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 3.073 -6.581 -6.463 3.073 5.519 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 5.519 -6.581 0.00 0.00 0.00 1.00 2.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 2.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 180 2 103 103 2 126 175 110 180 108 154 161 175 217 161 10 100 147 126 143 166 90 177 90 128 72 122 10 135 234 110 86 86 154 135 177 142 128 76 142 156 146 100 249 143 H W H H W H H H H H H H H C H W H H H H H H H H H H H W H C H H H H H H H H H H H H H C H 0.932 0.00 831 A 3.00 2.74 2.48 2.32 2.11 2.09 2.05 2.04 2.03 1.99 1.87 1.85 1.74 1.71 1.70 1.67 1.67 1.63 1.59 1.56 1.55 1.55 1.53 1.51 1.47 1.46 1.46 1.33 1.32 1.26 1.22 1.16 1.09 1.07 1.05 1.05 -1.04 1.04 1.04 1.04 1.01 1.01 2 2 1 7 1 2 2 6 1 2 6 2 7 7 2 2 1 2 3 2 1 2 1 1 2 1 2 2 7 2 1 1 1 1 2 1 2 2 2 7 6 1 S S S S S S S S S S S S S S S S S S D:z2 S S S S S S S S S S S S S S S S S P:x S S S S S 3.073 3.073 -6.581 1.678 -6.581 3.073 3.073 -6.463 -6.581 3.073 -6.463 3.073 1.678 1.678 3.073 3.073 -6.581 3.073 -4.382 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.581 3.073 3.073 1.678 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 5.519 3.073 3.073 1.678 -6.463 -6.581 0.00 0.00 1.00 0.00 1.00 0.00 0.00 2.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.80 0.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 1.00 146 143 126 6 122 144 135 9 139 139 4 148 9 4 122 126 146 168 10 166 143 175 128 135 108 168 128 110 8 72 161 175 148 166 103 103 242 99 161 7 6 144 H H H W H H H W H H W H W W H H H H W H H H H H H H H H W H H H H H H H C H H W W H 0.945 0.00 832 A 6.28 6.04 5.76 5.46 3.46 2.99 2.81 2.60 2.08 2.05 2.03 1.92 1.90 1.74 1.66 1.66 1.47 1.40 1.30 1.30 1.28 1.20 1.10 1.07 1.04 1.03 3 3 6 6 7 7 5 5 7 3 2 3 1 1 6 3 3 3 2 2 2 1 3 3 2 1 D:z2 D:z2 S S S S P:z P:z S D:z2 S D:z2 P:z P:z S D:z2 D:z2 D:z2 S S S S D:z2 D:z2 S S -4.382 -4.382 -6.463 -6.463 1.678 1.678 0.094 0.094 1.678 -4.382 3.073 -4.382 -9.955 -9.955 -6.463 -4.382 -4.382 -4.382 3.073 3.073 3.073 -6.581 -4.382 -4.382 3.073 -6.581 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 1.33 1.33 2.00 0.80 0.80 0.80 0.00 0.00 0.00 1.00 0.80 0.80 0.00 1.00 9 10 10 9 10 9 9 10 8 6 71 3 37 38 3 5 7 2 56 82 107 54 4 1 99 56 W W W W W W W W W W H W O O W W W W H H H H W W H H 0.967 0.00 833 A 4.09 3.23 2.91 2.84 2.76 2.71 2.40 2.33 2.18 2.05 2.02 1.97 1.97 1.96 1.91 1.82 1.75 1.67 1.57 1.55 -1.47 1.47 1.29 1.26 1.25 -1.25 1.24 1.24 -1.24 1.23 1.23 1.17 -1.17 -1.11 1.09 1.08 1.08 1.07 1.03 -1.00 1.00 2 1 6 3 6 2 3 7 7 2 2 2 1 2 1 1 2 2 1 1 2 6 3 2 1 2 2 3 2 2 1 1 2 2 2 2 5 2 1 2 2 S S S D:z2 S S D:z2 S S S S S S S S S S S S S P:x S D:z2 S S P:y S D:z2 P:y S S S P:y P:y S S P:z S S P:x S 3.073 -6.581 -6.463 -4.382 -6.463 3.073 -4.382 1.678 1.678 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 3.073 3.073 -6.581 -6.581 5.519 -6.463 -4.382 3.073 -6.581 5.519 3.073 -4.382 5.519 3.073 -6.581 -6.581 5.519 5.519 3.073 3.073 0.094 3.073 -6.581 5.519 3.073 0.00 1.00 2.00 0.80 2.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 2.00 0.80 0.00 1.00 0.00 0.00 0.80 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 67 67 8 10 1 69 9 1 8 139 58 82 69 60 139 60 99 107 53 58 196 9 1 92 99 198 144 8 206 53 64 82 194 202 56 146 10 66 92 233 64 H H W W W H W W W H H H H H H H H H H H C W W H H C H W C H H H C C H H W H H C H 0.978 0.00 834 A 5.16 4.14 3.95 3.74 3.56 3.49 3.30 3.28 3.18 3.14 2.92 2.85 2.25 -2.05 -1.77 1.75 1.56 1.52 1.48 1.47 1.42 1.38 -1.37 1.37 -1.36 1.36 1.34 1.31 1.31 1.30 1.30 1.29 1.29 1.28 1.28 1.21 1.20 -1.20 1.18 1.18 1.15 1.09 1.03 1.02 1.01 2 7 2 2 1 2 2 1 1 1 1 6 2 2 2 1 2 2 2 7 2 2 2 2 2 1 6 2 2 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 S S S S S S S S S S S S S P:z P:y S S S S S S S P:z S P:x S S S S S S S S S S S S P:y S S S S S S S 3.073 1.678 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 -6.581 -6.581 -6.463 3.073 5.519 5.519 -6.581 3.073 3.073 3.073 1.678 3.073 3.073 5.519 3.073 5.519 -6.581 -6.463 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 5.519 3.073 -6.581 -6.581 3.073 3.073 3.073 3.073 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 1.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 183 6 186 164 164 178 168 183 186 168 178 6 107 245 243 162 179 171 174 3 67 181 244 118 242 171 3 108 46 67 166 107 92 174 92 90 166 251 110 181 170 72 185 74 53 H W H H H H H H H H H W H C C H H H H W H H C H C H W H H H H H H H H H H C H H H H H H H 1.016 0.00 835 A 5.20 4.88 4.18 3.63 3.46 3.40 2.97 2.90 2.77 2.48 2.48 2.45 2.29 2.19 2.16 2.09 2.03 1.90 1.82 1.78 1.76 1.74 -1.68 1.68 1.65 1.57 1.52 1.48 1.47 1.45 -1.40 -1.37 1.37 1.31 1.30 -1.27 1.25 1.23 1.20 1.18 -1.17 1.17 1.13 1.10 1.08 1.08 -1.06 1.06 1.03 1.02 -1.02 1.02 1.02 1.01 2 2 2 2 1 1 2 2 2 1 1 1 1 1 2 2 2 1 1 2 1 2 2 2 1 1 1 1 2 2 2 2 2 2 1 3 2 2 2 7 2 1 2 2 1 2 2 1 2 7 2 1 1 2 S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S P:x P:x S S S S S S S S P:x P:z S S S S P:x S S S P:z S S S 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 3.073 5.519 3.073 -6.581 -6.581 -6.581 -6.581 3.073 3.073 5.519 5.519 3.073 3.073 -6.581 11.266 3.073 3.073 3.073 1.678 5.519 -5.048 3.073 3.073 -6.581 3.073 5.519 -6.581 3.073 1.678 5.519 -6.581 -6.581 3.073 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 117 108 182 179 89 117 89 109 107 182 108 158 162 179 180 158 96 164 97 161 96 162 214 116 109 107 175 161 84 97 218 222 164 175 84 219 106 112 171 10 249 241 110 101 88 94 210 171 83 6 239 180 83 156 H H H H H H H H H H H H H H H H H H H H H H C H H H H H H H C C H H H C H H H W C C H H H H C H H W C H H H 1.025 0.00 836 A 5.88 5.61 5.50 4.91 4.88 4.77 4.14 3.74 3.66 3.59 3.41 3.37 3.36 3.09 3.09 -3.03 2.83 2.50 -2.47 -2.42 2.24 -2.19 -2.16 2.01 1.90 1.89 1.77 -1.75 1.75 1.62 1.48 1.44 1.38 1.38 -1.36 1.33 1.32 -1.22 1.22 1.20 1.18 1.17 1.16 1.12 -1.09 -1.08 -1.07 1.07 1.04 -1.02 -1.02 -1.00 1.00 2 2 2 1 1 2 1 1 1 1 2 1 2 2 2 2 2 1 2 2 1 2 2 1 1 1 2 2 2 2 1 2 1 2 2 2 2 3 1 1 1 1 2 1 2 2 2 2 1 2 2 2 2 S S S S S S S S S S S S S S S P:x S S P:y P:z S P:x P:z S S S S P:x S S S S S S P:x S S S S S S S S P:y P:y P:x P:y S S P:x P:y P:y S 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 3.073 3.073 3.073 5.519 3.073 -6.581 5.519 5.519 -6.581 5.519 5.519 -6.581 -6.581 -6.581 3.073 5.519 3.073 3.073 -6.581 3.073 -6.581 3.073 5.519 3.073 3.073 11.266 -6.581 -6.581 -6.581 -6.581 3.073 -5.048 5.519 5.519 5.519 3.073 -6.581 5.519 5.519 5.519 3.073 0.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.67 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 114 96 111 114 96 106 106 92 111 90 94 94 92 113 109 210 117 98 211 213 109 218 212 117 91 89 98 222 175 91 175 102 102 185 211 110 90 221 100 118 99 86 118 209 219 219 210 43 113 212 217 213 99 H H H H H H H H H H H H H H H C H H C C H C C H H H H C H H H H H H C H H C H H H H H C C C C H H C C C H 1.036 0.00 837 A 4.75 4.51 4.17 4.08 3.93 3.10 3.05 3.05 3.03 2.89 2.69 2.37 2.35 2.27 2.26 -2.09 2.05 2.02 1.98 1.98 -1.97 1.88 1.82 -1.80 1.73 1.70 1.67 1.65 1.57 1.54 -1.50 -1.49 1.43 1.39 -1.34 1.32 1.30 1.29 1.28 -1.22 1.21 1.20 1.19 1.15 -1.14 1.12 1.10 1.08 1.06 1.02 1.02 -1.00 1.00 2 2 2 1 1 2 1 1 2 1 2 1 2 2 1 2 2 2 2 2 2 2 2 2 1 1 1 1 2 2 2 2 2 2 2 1 2 1 2 3 1 1 1 1 2 2 2 2 2 1 1 2 1 S S S S S S S S S P:y S S S S S P:y S S S S P:x S S P:x S S S S S S P:y P:x S S P:x S S S S S S S S S P:z S S S S S S P:z S 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 -6.581 3.073 -5.048 3.073 -6.581 3.073 3.073 -6.581 5.519 3.073 3.073 3.073 3.073 5.519 3.073 3.073 5.519 -6.581 -6.581 -6.581 -6.581 3.073 3.073 5.519 5.519 3.073 3.073 5.519 -6.581 3.073 -6.581 3.073 11.266 -6.581 -6.581 -6.581 -6.581 5.519 3.073 3.073 3.073 3.073 -6.581 -6.581 5.519 -6.581 0.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 0.00 0.67 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 153 144 67 67 125 125 153 54 145 193 70 50 77 74 144 201 130 149 63 54 226 68 143 234 145 70 63 133 50 132 197 230 80 133 238 130 120 149 69 235 132 74 141 120 223 137 152 64 150 68 143 195 124 H H H H H H H H H C H H H H H C H H H H C H H C H H H H H H C C H H C H H H H C H H H H C H H H H H H C H 1.079 0.00 838 A 4.15 3.21 3.14 3.06 2.95 2.83 2.79 2.68 2.65 2.59 2.52 2.44 2.37 2.21 1.89 -1.76 1.69 1.69 1.66 1.62 1.59 1.58 1.57 1.53 1.47 1.47 -1.45 1.30 -1.29 -1.29 1.24 1.23 1.22 1.18 1.11 1.11 1.10 -1.08 1.06 1.05 1.04 1.03 -1.02 2 1 1 2 1 1 2 2 2 1 2 1 1 2 1 2 2 1 2 1 2 7 1 2 1 2 2 1 2 2 2 7 1 2 2 1 1 2 2 2 2 2 2 S S S S S S S S S S S S S S S P:x S S S S S S S S S S P:y S P:y P:y S S S S S P:y S P:x S S S S P:x 3.073 -6.581 -6.581 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.581 5.519 3.073 -6.581 3.073 -6.581 3.073 1.678 -6.581 3.073 -6.581 3.073 5.519 -6.581 5.519 5.519 3.073 1.678 -6.581 3.073 3.073 -5.048 -6.581 5.519 3.073 3.073 3.073 3.073 5.519 0.00 1.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.67 1.00 0.00 0.00 0.00 0.00 0.00 0.00 174 175 174 175 165 155 113 103 64 67 67 64 103 181 181 249 165 57 155 163 82 9 159 184 113 57 248 162 244 251 172 3 172 162 182 241 157 244 78 66 159 69 239 H H H H H H H H H H H H H H H C H H H H H W H H H H C H C C H W H H H C H C H H H H C 1.108 0.00 839 A 11.87 7.52 6.76 6.62 6.15 3.83 3.33 3.10 -2.88 2.79 -2.59 2.30 2.21 2.14 1.90 1.90 -1.81 1.77 1.75 1.57 -1.57 1.51 1.48 1.44 -1.43 1.38 1.36 1.36 -1.31 -1.31 -1.30 1.24 1.19 -1.19 1.18 1.12 1.10 1.06 1.06 1.05 1.02 2 2 1 1 2 2 2 1 3 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 3 2 2 1 2 2 2 2 7 2 1 2 S S S S S S S S S S P:x S S S S S P:z S S S P:z S S S P:z S S S P:x S P:z S P:z P:z S S S S S S S 3.073 3.073 -6.581 -6.581 3.073 3.073 3.073 -6.581 11.266 3.073 5.519 3.073 -6.581 -6.581 3.073 3.073 5.519 -6.581 3.073 3.073 5.519 -6.581 3.073 3.073 5.519 -6.581 -6.581 3.073 5.519 11.266 5.519 3.073 -5.048 5.519 3.073 3.073 3.073 1.678 3.073 -6.581 3.073 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 43 175 43 175 44 179 177 44 254 185 249 46 179 173 164 173 250 177 176 178 243 185 141 45 247 164 172 152 253 249 254 138 241 246 148 181 114 10 165 156 137 H H H H H H H H C H C H H H H H C H H H C H H H C H H H C C C H C C H H H W H H H 1.122 0.00 840 A 8.03 7.39 5.59 3.88 3.86 3.01 2.98 2.92 2.87 2.58 2.18 -2.09 2.05 2.04 2.02 1.91 1.86 -1.84 1.78 1.75 1.51 1.50 1.49 1.47 1.47 -1.44 -1.42 1.42 1.39 1.30 1.30 1.12 1.10 1.04 -1.02 2 2 1 2 1 2 2 1 2 2 1 2 1 2 1 1 2 2 2 1 1 1 2 2 2 2 3 1 2 1 2 1 2 1 2 S S S S S S S S S S S P:z S S S S S P:z S S S S S S S P:y S S S S S S S S P:y 3.073 3.073 -6.581 3.073 -6.581 3.073 3.073 -6.581 3.073 3.073 -6.581 5.519 -6.581 3.073 -6.581 -6.581 3.073 5.519 3.073 -6.581 -6.581 -6.581 3.073 3.073 3.073 5.519 11.266 -6.581 3.073 -6.581 3.073 -6.581 3.073 -6.581 5.519 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 141 152 141 150 152 148 138 150 142 135 135 234 119 43 121 138 121 230 137 142 131 137 119 131 154 232 238 148 128 124 116 43 46 125 229 H H H H H H H H H H H C H H H H H C H H H H H H H C C H H H H H H H C 1.124 0.00 841 A 7.03 6.57 5.74 5.38 2.25 2.16 2.09 1.78 1.73 1.73 1.40 1.29 1.28 1.23 1.22 1.09 1.07 1.06 3 3 3 3 3 3 3 3 3 3 3 1 1 3 2 2 1 1 D:x2-y2 D:x2-y2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:z P:z D:z2 S S P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 3.073 3.073 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.00 0.00 1.33 1.33 9 10 9 10 1 8 4 5 3 2 7 32 31 6 152 141 25 26 W W W W W W W W W W W O O W H H O O 1.138 0.00 842 A 6.64 6.11 5.35 4.89 4.24 4.06 3.33 3.18 -3.03 2.92 -2.58 2.42 2.19 2.10 1.98 1.95 1.83 -1.78 1.76 1.62 1.61 -1.58 1.54 1.42 1.27 -1.19 1.18 1.13 1.07 1.06 -1.05 -1.03 -1.03 2 2 2 1 1 1 2 1 2 2 2 1 2 2 1 2 2 2 1 2 1 2 2 2 1 2 2 1 3 1 2 2 2 S S S S S S S S P:z S P:z S S S S S S P:z S S S P:z S S S P:y S S D:x2-y2 S P:y P:y P:y 3.073 3.073 3.073 -6.581 -6.581 -6.581 3.073 -6.581 5.519 3.073 5.519 -6.581 3.073 3.073 -6.581 3.073 3.073 5.519 -6.581 3.073 -6.581 5.519 3.073 3.073 -6.581 5.519 3.073 -6.581 -4.382 -6.581 5.519 5.519 5.519 0.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.80 1.00 0.00 0.00 0.00 105 116 99 105 99 83 83 116 218 102 215 85 85 114 102 95 106 214 114 152 95 211 112 100 91 216 118 106 10 100 210 213 207 H H H H H H H H C H C H H H H H H C H H H C H H H C H H W H C C C 1.150 0.00 843 A 6.12 2.68 2.65 2.62 2.51 1.95 1.93 1.91 1.76 1.75 1.72 1.68 1.68 1.61 1.55 1.50 1.48 1.40 1.40 1.40 1.37 1.34 1.30 1.29 1.27 1.26 1.26 1.26 1.23 1.22 1.21 1.21 1.21 1.19 1.18 1.16 1.12 1.11 -1.11 1.10 -1.08 1.06 1.03 -1.02 1.02 1.02 7 7 2 6 7 2 2 2 2 1 2 1 1 1 7 1 1 6 2 1 1 1 2 2 1 2 7 2 2 2 2 2 2 6 1 1 1 1 2 2 2 1 2 2 3 1 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y S P:z S S P:y D:z2 S 1.678 1.678 3.073 -6.463 1.678 3.073 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 1.678 -6.581 -6.581 -6.463 3.073 -6.581 -6.581 -6.581 3.073 3.073 -6.581 3.073 1.678 3.073 3.073 3.073 3.073 3.073 3.073 -6.463 -6.581 -6.581 -6.581 -6.581 5.519 3.073 5.519 -6.581 3.073 5.519 -4.382 -6.581 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 2.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 1.00 9 6 116 9 10 105 79 59 74 59 71 158 162 164 3 56 116 6 49 68 83 105 64 48 74 106 1 147 68 83 53 158 182 3 49 71 64 48 204 150 215 50 50 195 9 79 W W H W W H H H H H H H H H W H H W H H H H H H H H W H H H H H H W H H H H C H C H H C W H 1.163 0.00 844 A 12.04 8.83 7.58 7.10 6.02 5.57 5.36 4.92 4.41 4.29 3.94 3.73 -3.45 3.34 -3.18 2.93 -2.62 2.48 2.46 2.13 -2.11 2.04 -2.01 1.96 1.93 1.90 1.77 -1.72 -1.70 -1.55 -1.52 1.48 1.45 -1.33 -1.27 -1.25 -1.19 1.18 1.15 1.14 -1.12 1.07 1.02 1.02 1.01 -1.01 2 1 1 2 2 2 2 1 1 1 1 2 2 2 2 2 2 2 1 1 2 1 2 2 2 1 1 2 3 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 1 2 S S S S S S S S S S S S P:z S P:z S P:z S S S P:y S P:y S S S S P:z S P:x P:y S S P:z P:y P:y P:x S S P:y P:z S S S S P:x 3.073 -6.581 -6.581 3.073 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 3.073 5.519 3.073 5.519 3.073 5.519 3.073 -6.581 -6.581 5.519 -6.581 5.519 3.073 3.073 -6.581 -6.581 5.519 11.266 5.519 5.519 3.073 3.073 5.519 5.519 5.519 5.519 3.073 -6.581 -5.048 5.519 3.073 -6.581 3.073 -6.581 5.519 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.00 0.00 1.00 0.00 1.00 0.00 63 63 47 77 66 47 69 69 66 49 77 72 199 49 200 78 191 76 51 78 197 72 194 59 51 53 59 196 205 199 201 67 61 202 202 191 193 68 76 193 195 74 55 58 58 192 H H H H H H H H H H H H C H C H C H H H C H C H H H H C C C C H H C C C C H H C C H H H H C 1.171 0.00 845 A 11.97 6.77 6.13 3.77 3.41 3.29 2.75 2.72 2.71 -2.71 2.69 2.57 2.47 2.46 2.41 2.39 2.23 2.00 1.95 -1.86 1.69 1.69 1.66 1.65 -1.63 1.56 -1.51 1.50 1.48 1.46 1.40 1.35 1.33 1.31 1.28 1.25 1.18 -1.17 1.16 1.11 -1.10 1.05 1.05 1.04 -1.02 1.01 2 1 2 2 1 1 2 2 2 3 2 2 2 2 1 1 2 2 1 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 1 2 2 1 1 1 2 1 S S S S S S S S S S S S S S S S S S S P:x S S S S P:x S P:x S S S S S S S S S S P:y S S P:x S S S P:y S 3.073 -6.581 3.073 3.073 -6.581 -6.581 3.073 3.073 3.073 11.266 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 5.519 -6.581 3.073 3.073 -6.581 5.519 3.073 5.519 -6.581 -6.581 3.073 3.073 -6.581 3.073 3.073 3.073 3.073 3.073 5.519 -6.581 3.073 5.519 -6.581 -6.581 -6.581 5.519 -6.581 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 80 80 81 67 81 67 77 139 152 206 70 149 55 65 65 139 82 154 55 202 53 68 143 152 206 71 195 77 70 153 79 149 56 76 151 144 53 201 50 73 198 71 56 58 200 120 H H H H H H H H H C H H H H H H H H H C H H H H C H C H H H H H H H H H H C H H C H H H C H 1.187 0.00 846 A 6.63 5.88 5.55 5.08 4.72 4.23 3.85 3.71 3.01 -2.50 2.50 2.31 2.23 2.15 2.07 1.98 -1.96 -1.79 1.78 1.61 -1.59 1.58 1.53 1.47 1.44 1.41 -1.40 -1.39 1.35 1.33 -1.29 1.29 1.26 -1.26 1.25 1.21 1.19 -1.18 1.16 1.14 1.13 1.09 1.09 -1.09 -1.08 1.07 1.05 2 2 2 1 1 1 1 1 2 2 2 2 2 1 2 1 2 3 2 1 2 2 1 7 2 2 2 2 1 2 2 2 2 2 2 1 1 2 1 2 2 2 1 2 2 7 1 S S S S S S S S S P:y S S S S S S P:y S S S P:z S S S S S P:y P:z S S P:x S S P:x S S S P:z S S S S S P:z P:z S S 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 5.519 3.073 3.073 3.073 -6.581 3.073 -6.581 5.519 11.266 3.073 -6.581 5.519 3.073 -6.581 1.678 3.073 3.073 5.519 5.519 -6.581 3.073 5.519 3.073 3.073 5.519 3.073 -6.581 -6.581 5.519 -6.581 3.073 3.073 3.073 -6.581 5.519 5.519 1.678 -6.581 0.00 0.00 0.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 185 171 177 177 171 161 185 155 174 239 155 186 113 159 161 174 247 253 45 157 250 159 186 10 46 179 241 242 169 169 242 166 103 250 151 160 113 253 103 157 102 139 46 244 249 6 179 H H H H H H H H H C H H H H H H C C H H C H H W H H C C H H C H H C H H H C H H H H H C C W H 1.203 0.00 847 A 5.49 5.01 4.23 4.19 4.13 3.84 3.49 3.49 -3.25 3.19 3.05 3.04 2.78 2.63 2.51 -2.14 2.08 2.05 1.97 -1.86 1.78 1.77 -1.73 -1.58 1.57 1.56 1.53 1.46 1.46 -1.43 -1.23 1.20 -1.17 1.15 1.13 1.12 1.11 1.08 -1.07 1.07 1.03 1.02 1.01 2 7 1 1 2 2 1 2 2 1 1 2 2 2 6 2 2 1 7 2 1 6 2 2 1 7 2 6 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 S S S S S S S S P:y S S S S S S P:z S S S P:z S S P:y P:y S S S S S P:x P:x S P:z S S S S S P:x S S S S 3.073 1.678 -6.581 -6.581 3.073 3.073 -6.581 3.073 5.519 -6.581 -6.581 3.073 3.073 3.073 -6.463 5.519 3.073 -6.581 1.678 5.519 -6.581 -6.463 5.519 5.519 -6.581 1.678 3.073 -6.463 3.073 5.519 5.519 3.073 5.519 3.073 3.073 3.073 -6.581 3.073 5.519 3.073 3.073 -6.581 3.073 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 1.00 2.00 0.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 171 10 157 167 167 157 171 155 245 155 176 172 176 156 10 243 173 172 8 247 156 8 249 253 173 3 45 3 161 248 240 136 239 131 151 99 45 137 252 182 43 182 135 H W H H H H H H C H H H H H W C H H W C H W C C H W H W H C C H C H H H H H C H H H H 1.261 0.00 848 A 5.29 4.90 4.77 3.55 3.47 3.44 3.34 3.01 2.78 2.75 2.46 2.42 2.40 2.27 2.14 2.10 2.06 2.03 2.02 2.01 1.99 1.96 1.92 1.85 1.84 1.81 1.81 1.73 1.62 1.58 1.57 1.54 1.54 -1.48 1.48 1.45 1.44 1.42 1.34 -1.30 -1.28 1.27 -1.27 1.26 1.24 -1.24 1.23 -1.17 1.12 -1.09 1.08 -1.07 1.05 1.05 -1.01 2 2 2 1 2 7 1 1 6 2 2 2 1 2 1 1 2 1 1 2 2 2 2 2 7 7 2 1 2 1 1 2 6 2 1 7 1 1 1 2 2 1 2 1 1 2 2 2 6 2 2 2 1 1 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y S S S S S P:y P:y S P:z S S P:y S S S P:y S P:y S S P:x 3.073 3.073 3.073 -6.581 3.073 1.678 -6.581 -6.581 -6.463 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.581 -6.581 3.073 3.073 3.073 3.073 3.073 1.678 1.678 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.463 5.519 -6.581 1.678 -6.581 -6.581 -6.581 5.519 5.519 -6.581 5.519 -6.581 -6.581 5.519 3.073 3.073 -6.463 5.519 3.073 5.519 -6.581 -6.581 5.519 0.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 2.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 2.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 1.00 1.00 0.00 148 137 151 148 136 8 137 151 8 120 135 131 131 64 68 120 65 48 136 48 68 125 147 144 7 10 76 64 79 140 65 113 7 233 123 9 125 59 135 228 195 51 201 56 144 229 59 146 2 236 119 191 147 79 226 H H H H H W H H W H H H H H H H H H H H H H H H W W H H H H H H W C H W H H H C C H C H H C H H W C H C H H C 1.296 0.00 849 A 11.52 9.31 9.19 8.34 8.08 7.10 6.77 6.53 6.16 6.15 5.48 4.94 4.53 -4.52 4.43 4.42 3.96 3.95 3.18 2.93 -2.92 -2.80 2.75 -2.55 -2.37 2.33 2.32 -2.21 2.20 2.14 -2.05 1.83 1.80 -1.71 -1.69 -1.63 1.62 -1.58 -1.54 -1.52 -1.44 1.41 -1.39 -1.37 1.23 -1.23 1.22 1.20 1.20 -1.11 1.07 -1.07 1.02 1.01 2 2 1 2 1 2 2 2 1 1 1 1 2 2 2 1 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 1 1 2 2 2 2 2 2 2 2 2 3 2 2 2 1 1 1 2 1 2 2 1 S S S S S S S S S S S S S P:y S S S S S S P:y P:z S P:y P:y S S P:z S S P:x S S P:x P:y P:z S P:y P:x S P:z S S P:y S P:z S S S P:x S P:x S P:z 3.073 3.073 -6.581 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 3.073 5.519 3.073 -6.581 -6.581 -6.581 3.073 3.073 5.519 5.519 3.073 5.519 5.519 -6.581 3.073 5.519 3.073 -6.581 5.519 -6.581 -6.581 5.519 5.519 5.519 3.073 5.519 5.519 3.073 5.519 3.073 11.266 5.519 3.073 5.519 -6.581 -6.581 -6.581 5.519 -6.581 5.519 3.073 -5.048 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.67 101 112 101 115 104 104 100 84 84 112 115 95 89 217 95 100 89 87 108 111 213 211 99 212 220 108 105 207 87 85 220 111 92 216 221 215 85 216 210 110 219 116 216 209 86 210 99 86 105 213 88 209 83 210 H H H H H H H H H H H H H C H H H H H H C C H C C H H C H H C H H C C C H C C H C H C C H C H H H C H C H C 1.335 0.00 850 A 7.41 6.87 3.15 3.12 2.93 2.64 2.48 2.39 2.34 2.34 2.27 2.09 1.98 1.96 1.90 1.87 1.61 1.59 1.56 1.51 1.45 1.43 -1.42 1.40 1.34 1.33 1.31 1.25 -1.25 1.24 1.22 1.21 1.21 1.21 1.19 1.17 1.16 1.15 1.13 1.12 1.12 -1.10 1.08 1.02 1.02 1.01 1.01 -1.00 7 6 2 2 2 7 1 2 1 1 1 1 7 2 2 2 2 2 2 1 1 2 2 6 2 1 2 2 2 1 1 2 1 1 1 2 6 2 2 1 1 2 1 2 1 2 2 2 S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S P:y S S S S S S S S S S S S P:y S S S S S P:z 1.678 -6.463 3.073 3.073 3.073 1.678 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 1.678 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 5.519 -6.463 3.073 -6.581 3.073 3.073 5.519 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.463 3.073 3.073 -6.581 -6.581 5.519 -6.581 3.073 -6.581 3.073 3.073 5.519 0.00 2.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 6 6 76 79 65 9 137 137 65 68 76 79 10 68 64 136 48 171 173 48 59 135 232 9 59 136 144 131 229 140 120 80 171 121 64 120 10 140 53 51 173 204 119 75 53 45 121 201 W W H H H W H H H H H H W H H H H H H H H H C W H H H H C H H H H H H H W H H H H C H H H H H C 1.403 0.00 851 A 5.55 5.01 4.87 4.82 4.31 3.04 2.90 2.89 2.83 2.77 2.62 2.32 2.27 -2.26 2.25 2.23 1.90 1.89 1.83 1.81 1.73 1.66 1.65 1.61 1.61 1.47 1.42 1.38 1.36 1.31 1.26 1.24 1.23 -1.21 1.06 1.02 1.01 7 7 6 2 7 1 1 6 1 2 2 1 6 2 6 2 2 7 1 2 2 1 1 1 2 2 1 1 7 1 1 2 2 3 2 2 2 S S S S S S S S S S S S S P:z S S S S S S S P:z S S S S P:x S S S S S S S S S S 1.678 1.678 -6.463 3.073 1.678 -6.581 -6.581 -6.463 -6.581 3.073 3.073 -6.581 -6.463 5.519 -6.463 3.073 3.073 1.678 -6.581 3.073 3.073 -5.048 -6.581 -6.581 3.073 -21.259 -5.048 -6.581 1.678 -6.581 -6.581 3.073 3.073 15.427 3.073 3.073 3.073 0.00 0.00 2.00 0.00 0.00 1.00 1.00 2.00 1.00 0.00 0.00 1.00 2.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.67 1.00 1.00 0.00 2.00 0.67 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 6 10 6 72 9 72 55 10 57 144 77 53 9 203 8 79 55 8 144 57 69 226 77 69 138 189 225 79 5 138 139 135 154 189 136 81 53 W W W H W H H W H H H H W C W H H W H H H C H H H N C H W H H H H N H H H 1.454 0.00 852 A 4.86 3.91 2.95 2.84 2.65 2.47 2.18 1.92 1.85 1.84 1.62 1.57 1.51 -1.50 1.49 1.48 1.44 1.43 1.40 1.36 1.34 1.31 1.27 1.25 1.22 1.19 1.15 1.15 -1.12 1.09 1.09 1.07 1.05 1.02 2 7 1 7 6 6 1 2 2 1 2 7 7 3 2 1 2 2 6 2 2 1 2 1 2 1 2 1 2 2 6 1 1 6 S S S S S S P:z S S S S S S S S P:x S S S S S S S S S S S S P:x S S P:y S S 3.073 1.678 -6.581 1.678 -6.463 -6.463 -5.048 3.073 -21.259 -6.581 3.073 1.678 1.678 15.427 3.073 -5.048 3.073 3.073 -6.463 3.073 3.073 -6.581 3.073 -6.581 3.073 -6.581 3.073 -6.581 5.519 3.073 -6.463 -5.048 -6.581 -6.463 0.00 0.00 1.00 0.00 2.00 2.00 0.67 0.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 2.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 2.00 0.67 1.00 2.00 80 9 80 1 1 9 226 154 189 123 171 10 8 189 81 225 82 173 8 149 43 149 177 171 148 159 71 154 237 108 5 223 173 10 H W H W W W C H N H H W W N H C H H W H H H H H H H H H C H W C H W 1.461 0.00 853 A 5.95 4.12 3.94 3.55 -2.96 2.87 2.42 2.25 2.08 1.91 1.82 1.82 1.80 1.79 1.79 1.75 1.63 1.56 1.42 1.40 1.40 -1.38 1.27 1.20 1.20 1.16 1.14 1.11 1.10 1.10 -1.07 2 1 2 2 3 1 7 1 2 1 6 1 2 1 6 7 2 1 2 6 1 2 7 1 2 2 7 1 1 1 3 S S S S S P:z S S S S S P:y S P:x S S S S S S S P:x S P:z S S S S P:x S S 3.073 -6.581 3.073 -21.259 15.427 -5.048 1.678 -6.581 3.073 -6.581 -6.463 -5.048 3.073 -5.048 -6.463 1.678 3.073 -6.581 3.073 -6.463 -6.581 5.519 1.678 -5.048 3.073 -15.871 1.678 -6.581 -5.048 -6.581 11.266 0.00 1.00 0.00 2.00 0.00 0.67 0.00 1.00 0.00 1.00 2.00 0.67 0.00 0.67 2.00 0.00 0.00 1.00 0.00 2.00 1.00 0.00 0.00 0.67 0.00 2.00 0.00 1.00 0.67 1.00 0.00 180 180 118 188 188 210 10 118 113 106 10 209 106 210 6 6 117 113 105 1 87 251 4 209 116 218 1 165 209 105 218 H H H N N C W H H H W C H C W W H H H W H C W C H C W H C H C