50
CpS_Rh_HB(C6F5)2
  Rh         -0.74681412763004     -0.71727632469275     -0.16711383189196
  C          -1.55534885645000     -1.66375897556148     -1.99928055886736
  C          -2.59929104881425     -1.10535381914376     -1.15013964621300
  C          -0.89448049719216     -2.64575240318287     -1.22953956564004
  C          -2.68265105030909     -1.89906579695889      0.07745829162755
  C          -1.60901591613687     -2.79928643334025      0.05647042066945
  C          -1.28321936705349     -1.26198794347522     -3.40888235321414
  H          -1.41629124389767     -0.18602154924952     -3.54658106573844
  H          -0.26091137993903     -1.50640400653459     -3.70582167582949
  H          -1.96939830303077     -1.77879167953970     -4.09294644559655
  C          -3.63422358926181     -0.13559350492475     -1.60077380118978
  H          -3.22900786201258      0.60172197764918     -2.29811090512750
  H          -4.43528485583569     -0.68111856503540     -2.11817189293772
  H          -4.08823187196616      0.39499967657741     -0.76047742980289
  C          -3.71790517874901     -1.71327762419978      1.13217054317386
  H          -4.67787348064746     -2.13862657357309      0.81157971397961
  H          -3.43157434041769     -2.19370479769963      2.07011202840076
  H          -3.88859091500571     -0.65188261868514      1.34125634775904
  C          -1.22387965872936     -3.78504188725139      1.10636015347554
  H          -1.49549981912909     -4.80299394686227      0.79754425387235
  H          -0.14359349772522     -3.77742315892283      1.28199247302674
  H          -1.71981100065606     -3.57418153987854      2.05594021646321
  C           0.27006011701434     -3.47800997546408     -1.64722012753982
  H          -0.06859555043083     -4.45181484134883     -2.02523813156982
  H           0.84391971358450     -2.98900040264981     -2.43777289250433
  H           0.94544028816718     -3.67150175167590     -0.80889641395516
  H           0.55296818467436      1.12494317882186     -2.21135010979802
  B           0.61275959390512      0.88670772881820     -1.04112099085586
  C          -0.51352033231034      1.45946857427996     -0.15023978342146
  C          -1.58121936505389      2.24422649105532     -0.68743907723793
  C          -0.72232640394464      0.97304736725907      1.19656961525225
  C          -2.68715955929712      2.58221704315146      0.03114818175764
  C          -1.90003484129798      1.32129231391471      1.92851786737749
  C          -2.86747039853072      2.08087991377090      1.34869813090760
  C           2.06736453599662      0.50019044691901     -0.50714307652096
  C           3.17802632988537      1.23990192231963     -0.91508361289460
  C           2.36030160767114     -0.56868677577318      0.31886103467557
  C           4.47407511123116      0.94593464833063     -0.50896532911913
  C           3.62765465193323     -0.91163578998877      0.75527039560227
  C           4.70121467917901     -0.13918575524081      0.32992994220633
  F           3.01131699447656      2.30232450478058     -1.71654672465475
  F           1.32700272323674     -1.37222666011633      0.74249314647171
  F           3.82991193629570     -1.96852965103958      1.55106452690872
  F           5.50679045953191      1.69236627100001     -0.91270962994701
  F           5.94176769829266     -0.44344488117955      0.71670112637887
  F          -1.48165900377471      2.70793673689700     -1.94447809652766
  F           0.37683285896624      0.76954142436857      2.00067588147951
  F          -2.04998783935898      0.85582326043229      3.17538636644396
  F          -4.01927677989487      2.34541557082021      1.97930581255666
  F          -3.66044026015851      3.34327152762273     -0.48949298347128

2
H2
  H          -0.78510978874804      0.17136187385016     -1.06326618606315
  H          -0.84985540325196     -0.08751760885016     -0.37143954893685

15
NBD
  C          -2.91053118064780     -0.82551775155255     -0.11173756997653
  C          -1.37731883365068     -0.97441644689520     -0.12805028221707
  C          -1.83043488809760      1.22217418145558     -0.15949426648448
  C          -3.17979968193616      0.47925788456513     -0.13047674768988
  H          -3.60944283008034     -1.65247440884280     -0.14383317883575
  H          -4.14867735810944      0.96095738344988     -0.18137962086215
  C          -1.02195141432599      0.25680611335039      0.75666395258977
  H           0.04998874604085      0.47812923292584      0.77165935344827
  H          -1.42901817258432      0.18750111595026      1.77045766649767
  C          -0.88390974489188     -0.42707870150933     -1.48074558519779
  H          -0.45876701815192     -1.03307344885272     -2.27155840916653
  C          -1.15311324223949      0.87766910434426     -1.49942113774493
  H          -0.99798908973474      1.58039382100606     -2.30904171836474
  H          -0.98451430242269     -1.94799319306693      0.17003937705752
  H          -1.85653561916780      2.27951612367211      0.10948906694663

63
AA
  C          -0.96436941183258     -0.41580423968201      1.10554091581470
  C          -0.96255098465111      0.69241741859606      0.15863078813170
  C          -0.41319767631510      0.27520836426200     -1.07595124715388
  C          -0.40000179883562     -1.59078866235717      0.55237276290404
  C           3.16866482739429     -0.41265883967389      1.74294716596304
  C           2.97146279110698     -0.72318957075934      3.14030976186932
  C           2.42675688464220      0.77847154915099      1.44584169683365
  C           2.12311077157999      0.29755402972747      3.69426991564897
  C           1.78720606553134      1.22532254783221      2.65602549812095
  Rh          1.01776010483039     -0.87484494863964      2.09428603612788
  C          -1.43668703944852      1.98202590198168      0.33805425350662
  C          -0.31965458733117      1.20965731508449     -2.08137479352314
  C          -0.78193691205293      2.51571980150526     -1.91295938515254
  C          -1.34735093638533      2.90139383360014     -0.70002420143209
  F          -1.98420815738355      2.37415781959683      1.51030450756518
  F          -1.80062332188368      4.15163898457881     -0.54369509006033
  F          -0.70760484182042      3.40650272241505     -2.90791638240781
  F           0.19049348879381      0.88526981490234     -3.28243732801432
  B           0.02789390788143     -1.31336667393263     -1.01567641975479
  C          -0.85541100382461     -2.33527568565202     -1.94034690508784
  C          -1.96313921355176     -2.01716328959970     -2.71775770169183
  C          -0.51084854136807     -3.68582088058350     -1.93288340903543
  C          -2.66779874331854     -2.95616162637157     -3.46449241220938
  C          -1.18176407054122     -4.65719943031679     -2.66180571096226
  C          -2.27251657012547     -4.28551960964822     -3.43727548774817
  F           0.52026750972028     -4.10832303930364     -1.17027296436020
  F          -2.42219971708133     -0.75056542610520     -2.78276287876363
  F          -3.72522581865724     -2.59546442584841     -4.20430112765542
  F          -2.94023642622193     -5.20356004523013     -4.14363814977977
  F          -0.80414389266600     -5.94299487491229     -2.61943500047516
  C          -1.00440677990156     -2.73245586126029      1.39955926325673
  C          -1.87306369634783     -0.81674955421287      2.26508227715304
  C          -2.41110924040059     -2.16471200314710      1.71858127303572
  C          -0.80269649401144     -1.29743030832524      3.25543916173078
  C          -0.28068399304665     -2.49779715590380      2.74237147116001
  C           4.08260052169576     -1.10856249768953      0.79041784706249
  C           3.64373176227954     -1.81311306554757      3.90730759207841
  C           2.42764879581251      1.47848425280681      0.13283390276558
  C           1.03140211237536      2.50033668926517      2.82226550140599
  C           1.73730256882848      0.40639707450439      5.13136525236058
  H           5.03537423645804     -0.56647128110481      0.73300507101301
  H           4.29379130086219     -2.13146027789370      1.10927448585246
  H           3.64591031343335     -1.14938880631143     -0.20984950455172
  H           3.33189818154499      2.09457388552501      0.03982633067241
  H           2.41239603490737      0.76122486070581     -0.69208236329711
  H           1.56134430575895      2.13441548315141      0.02513531545795
  H           1.71249858462782      3.30509152673015      3.12889554269909
  H           0.55995163194886      2.81001079600313      1.88759771653953
  H           0.24864326229353      2.41813574989318      3.58010499519715
  H           2.54383572280705      0.88369438165733      5.70253925947740
  H           0.83680558444054      1.01101465258596      5.26279678175580
  H           1.56120029512570     -0.57687122670548      5.57772413481787
  H           4.59851772131597     -1.46235448852802      4.32043033824714
  H           3.02711020893982     -2.15209737121724      4.74420307326664
  H           3.85119658353073     -2.67711374870974      3.27206688413880
  H          -2.58068696267821     -0.07458888898142      2.63177735062192
  H          -2.95411559407771     -2.74675395860332      2.47393429680020
  H          -3.02653605047759     -2.03524805004071      0.82054496154712
  H          -0.93135317658271     -3.73707034005887      0.98472544562310
  H          -0.69749369637175     -0.93054645247009      4.27001699755870
  H           1.46161484666966     -2.17294175699358      1.35804791217332
  H           0.23392994837300     -3.26645882733866      3.30703274967410
  F           1.41324147368226     -1.46928126640203     -1.29290402451230

63
AA-AB
  C          -0.97320877411470     -0.44247772156811      1.11227865558831
  C          -0.98980571402825      0.69087456565460      0.19282634757900
  C          -0.42138919042911      0.31689515398564     -1.04692935715755
  C          -0.36961694864734     -1.58053348364416      0.53503960480583
  C           3.17345233605042     -0.45893337081407      1.74417322013252
  C           2.97171866996219     -0.68610549471871      3.16034886267441
  C           2.44394389343969      0.71422823027658      1.39546788812749
  C           2.15113866809171      0.37390781252374      3.67755522954574
  C           1.80203343009195      1.23168789569631      2.59008905850586
  Rh          0.99782408030419     -0.84172155693804      2.15877728829915
  C          -1.49202567806408      1.96473321526704      0.40113549402999
  C          -0.34485117039530      1.27682951514172     -2.02932481170227
  C          -0.83688951096105      2.56781220963956     -1.83229624486304
  C          -1.41685185853176      2.91126226528004     -0.61369945630100
  F          -2.04916224099800      2.31670357016588      1.58129627142063
  F          -1.89573440635324      4.14818863941780     -0.42858348853752
  F          -0.77549672385669      3.48440287859273     -2.80493612835109
  F           0.18214255556328      0.99432580465345     -3.23417046379395
  B           0.05359587588458     -1.26308397378152     -1.02185461487708
  C          -0.83429398583423     -2.28083802355364     -1.95115543990501
  C          -1.96485617688936     -1.96516939398997     -2.69665042247386
  C          -0.47014057083496     -3.62626757278906     -1.97845005160891
  C          -2.67345038735590     -2.90062512273126     -3.44407910541295
  C          -1.14502627900886     -4.59408009323370     -2.70859951259465
  C          -2.25934325268959     -4.22458438234909     -3.45066115677301
  F           0.58497457158538     -4.04891179218347     -1.24917433327773
  F          -2.44288833408649     -0.70451158314066     -2.72912267632341
  F          -3.75187149389971     -2.54181013427482     -4.15390365164412
  F          -2.93089509571832     -5.13916563282644     -4.15789791596018
  F          -0.74864795205957     -5.87505371297180     -2.69808370144970
  C          -0.97083725493862     -2.76874831706712      1.32424323606803
  C          -1.87141170929264     -0.90145831886041      2.25801438050171
  C          -2.38414861727469     -2.24129781933460      1.67140373934352
  C          -0.77827296650894     -1.37493609571550      3.22750684699809
  C          -0.23924795806113     -2.58841218949531      2.66809981997995
  C           4.05717148314831     -1.23407477579114      0.82488778944412
  C           3.61411271133849     -1.76170898866259      3.97155686753385
  C           2.46435416990020      1.37800186717235      0.06452377695831
  C           1.06933263225524      2.52662359019570      2.68809536537995
  C           1.77848992043693      0.57056046494749      5.10886408684702
  H           5.03534356580948     -0.74332528514755      0.73628432763313
  H           4.22512767777762     -2.25048205165457      1.18862555375843
  H           3.61225774818782     -1.30362966031654     -0.17027491103388
  H           3.38039064764235      1.97761959897821     -0.02469585816445
  H           2.44891696462074      0.64502803381880     -0.74539763297864
  H           1.61292192565859      2.04802981223936     -0.06685051664466
  H           1.77190089229185      3.33991771792256      2.91368019188212
  H           0.57071428103442      2.77671767094087      1.74958080417204
  H           0.31214911511549      2.50852073592899      3.47534411624749
  H           2.56176328886555      1.13467506122444      5.63149372793025
  H           0.84651921294066      1.13268716585215      5.20553304165506
  H           1.65919543570212     -0.38236644191273      5.63220942549287
  H           4.57092517168897     -1.40980968791874      4.37815470428201
  H           2.98751978587104     -2.06033999765145      4.81661999318591
  H           3.81669162894925     -2.64933023612222      3.36787504064925
  H          -2.59388914751553     -0.18883145380073      2.65340194892999
  H          -2.91507670677523     -2.85859778938956      2.40752454418287
  H          -3.00384838768873     -2.09919518430383      0.77847685596553
  H          -0.88285148173398     -3.75105791651636      0.86099332458915
  H          -0.75285661791461     -1.11992010907558      4.28161237823503
  H           1.15734120159250     -2.43363997874867      2.02531184077172
  H           0.10123992663620     -3.41905507114320      3.28323120925372
  F           1.43321412402333     -1.40274306137909     -1.32499340675137

63
AA-AE
  C          -0.36869724937397     -1.73873087479345      0.56585972842274
  C          -0.09417875609862     -0.42801034983358     -0.01395225083765
  C           0.23634185518407     -0.56365321939091     -1.37929366729423
  C          -0.12525465072788     -2.79432176426549     -0.34434853368152
  C           3.29469676654142     -4.13045584949474      1.48928114366508
  C           3.34243132658802     -3.04397590153021      2.42747160661465
  C           3.26125137511688     -3.58203605477976      0.17154244698208
  C           3.39908003514252     -1.80377767409467      1.68200673504782
  C           3.33421939047957     -2.13455718178388      0.29741841011460
  Rh          1.44451047284942     -2.83206686384231      1.29827977900192
  C          -0.07373453683855      0.80389188882526      0.61695596137407
  C           0.59190927912351      0.57424783090886     -2.06743536384175
  C           0.61350127928649      1.82422309176049     -1.44818015023375
  C           0.28019597627878      1.93928270971469     -0.10055023030606
  F          -0.35849268866997      0.91971303821842      1.93239524772370
  F           0.31379774725195      3.13982271649463      0.49282523821736
  F           0.94426083959830      2.92581565193186     -2.13307554260030
  F           0.90912319374398      0.52583421129654     -3.37468469891309
  B           0.12767854009287     -2.13452954647793     -1.84370940859779
  C          -1.26140588619520     -2.50928738262457     -2.64389405895852
  C          -2.34747658046401     -1.66719470465413     -2.85897635191636
  C          -1.41450799362005     -3.80369988935878     -3.13839935569077
  C          -3.49483597531264     -2.05841590179923     -3.54125404537847
  C          -2.54007559956993     -4.23837305302428     -3.82446764942037
  C          -3.59083199155330     -3.35359607801168     -4.02920079125545
  F          -0.44125093595229     -4.71817338326610     -2.94296042236262
  F          -2.34290658220051     -0.39955835496159     -2.39902789841307
  F          -4.50731494915861     -1.20204280683185     -3.73200536644254
  F          -4.68555260569345     -3.74723538557184     -4.68735685444505
  F          -2.63225245916749     -5.49526322877715     -4.28101830463338
  C          -0.94853623127675     -3.96672282511758      0.20347953379117
  C          -1.35812358931433     -2.24698533182979      1.63246266562873
  C          -2.18883469035934     -3.23984095136404      0.78412822997274
  C          -0.42738806484535     -3.20729708800013      2.40239445439304
  C          -0.13777508794597     -4.26307799986918      1.47037192626461
  C           3.31561584250814     -5.58059217770262      1.83833228190720
  C           3.45817528814324     -3.17981931343122      3.90964401113779
  C           3.33360438432339     -4.35296830356615     -1.10223466973359
  C           3.47198593879673     -1.16674455951091     -0.82341644613512
  C           3.59154049225318     -0.43358312276315      2.24338544126239
  H           4.35080421575910     -5.93589761408957      1.92181939553262
  H           2.82613346729597     -5.77503992765535      2.79687073908073
  H           2.82180333419340     -6.18354151734811      1.07268331473482
  H           4.38472983435498     -4.51148422355766     -1.37914490882029
  H           2.86453800940252     -5.33531237929063     -1.00408672486034
  H           2.83380987423570     -3.82472602576875     -1.91403009200372
  H           4.53849760652906     -1.02445450560304     -1.04548141580278
  H           2.97502498796302     -1.51996129586216     -1.72781230143030
  H           3.05395933807493     -0.19137666523184     -0.56164708642679
  H           4.65550604532927     -0.16329707401186      2.23764162867273
  H           3.05611285583737      0.31532597502638      1.65381810339269
  H           3.23413665571147     -0.36316028935572      3.27329062947575
  H           4.51033017288081     -3.29753269631905      4.19921895088685
  H           3.06894996435662     -2.29850564892582      4.42490323881915
  H           2.91588359730529     -4.05533784328529      4.27688346102766
  H          -1.87625805419943     -1.49557947333008      2.22814808399829
  H          -2.83269357506336     -3.89203889221339      1.38839315083305
  H          -2.77999006791950     -2.73556255920163      0.01115833279513
  H          -1.11118563568511     -4.80926090127349     -0.46692487910216
  H          -0.48204974893619     -3.36212825451483      3.47751931007666
  H           0.21161036752804     -5.25086956196667      1.75210229639893
  H           0.73216534870682     -2.15985790219194      2.57160123694671
  F           1.23536948737494     -2.55766074085731     -2.61166924465563

63
AB
  C          -0.99081957494074     -0.42818803335766      1.10454090706857
  C          -0.99913784545885      0.70645054010780      0.18458771774999
  C          -0.41370595702032      0.33153037893487     -1.04621363977396
  C          -0.36634626597874     -1.55999129584463      0.54662108972394
  C           3.18387908600788     -0.44956692627670      1.71301392490410
  C           3.00137896182529     -0.67565245678345      3.13360051459119
  C           2.44022098314958      0.70819873106874      1.37802552458857
  C           2.18551567397107      0.36783901116549      3.67970880116970
  C           1.78815624016641      1.20952959101732      2.58945987955512
  Rh          0.98167160966811     -0.78230337595267      2.20014865229594
  C          -1.51062808470417      1.97774893143646      0.38244058629782
  C          -0.33192522755699      1.28738123260927     -2.03195527512340
  C          -0.83351410686041      2.57622467359871     -1.84593837441751
  C          -1.42852804263656      2.92117046952379     -0.63515688355930
  F          -2.08048704795720      2.33260844528214      1.55555290262313
  F          -1.91644325833521      4.15622661288142     -0.46024836663010
  F          -0.76756349040841      3.48900545532675     -2.82222967763088
  F           0.21189797780390      1.00313325550307     -3.22937935387155
  B           0.07462411776956     -1.24330121763577     -1.00535563593167
  C          -0.80407849821900     -2.27328274288506     -1.93169347887312
  C          -1.94388199405701     -1.97096700948211     -2.66894016344969
  C          -0.42148842287279     -3.61359261130225     -1.96552349174490
  C          -2.64317670019527     -2.91331563757079     -3.41628257298810
  C          -1.08699239921288     -4.58781214047500     -2.69581577907843
  C          -2.21051679697125     -4.23133994137536     -3.43026109195507
  F           0.64232565161140     -4.02507710572628     -1.24306422565135
  F          -2.44005565156497     -0.71723692543005     -2.69344129649379
  F          -3.73004845372801     -2.56683736478550     -4.11933413017873
  F          -2.87310825242231     -5.15269513107960     -4.13714568955257
  F          -0.67303087787328     -5.86329815358200     -2.69204661548796
  C          -0.97701357914797     -2.75601241917881      1.31236840667799
  C          -1.88756176816866     -0.89234383379130      2.24613516833810
  C          -2.38997697432082     -2.23385849943978      1.66091651916101
  C          -0.76405228493409     -1.31793793197868      3.20061444756484
  C          -0.26539222899215     -2.64114834647668      2.67483817633088
  C           4.05420701287369     -1.23308487750951      0.78857508617528
  C           3.63077740967831     -1.78141179917292      3.91087899084493
  C           2.44178119613963      1.39209859270045      0.05858972417675
  C           1.04819228349504      2.49752254680739      2.70076325490115
  C           1.84796690639301      0.57053419539963      5.11892865639953
  H           5.05833082430025     -0.79117431574271      0.73834949744629
  H           4.16502652349320     -2.26903489615494      1.11902726322019
  H           3.62975623941295     -1.25055694744721     -0.21736530222622
  H           3.34803656482892      2.00857033563650     -0.01830340546484
  H           2.43817291564449      0.67391484989638     -0.76408534351626
  H           1.58048777522989      2.05162321889469     -0.05903592938864
  H           1.74975396595911      3.31210660480706      2.92614781920537
  H           0.54066361264932      2.74954987122083      1.76801399952211
  H           0.29865046713236      2.46729774133633      3.49485798265683
  H           2.62797325467906      1.16100243116125      5.61673745404643
  H           0.90307285722248      1.10747438499493      5.23232415310343
  H           1.76316011420233     -0.37928545862220      5.65441063055876
  H           4.62931173592431     -1.47707531732514      4.25048015665074
  H           3.04570645988105     -2.04034233154659      4.79732964720152
  H           3.75351610757254     -2.67996293890053      3.30089850165804
  H          -2.61705197995863     -0.18585629848810      2.64014734935062
  H          -2.91869682606419     -2.85854398725766      2.39291793397204
  H          -3.01272727812889     -2.09093474795192      0.77053709839457
  H          -0.89864243494356     -3.72631755305283      0.82140808376302
  H          -0.81837461135336     -1.11624277586170      4.26801471374772
  H           0.88675232096622     -2.64612039512543      2.44618725349561
  H          -0.31410281269834     -3.48390400399230      3.37400095483358
  F           1.45521687803364     -1.37688535674943     -1.30622570097743

65
AC
  C          -1.06195368151603     -0.31005270619225      1.33204874956529
  C          -1.13570684294090      0.85770688168110      0.43963001042642
  C          -0.25568957939713      0.69342679897671     -0.65049992287258
  C          -0.14762996468783     -1.27502155860988      0.86547700785514
  C           2.47170560684438      0.89282288609517      2.23606626572021
  C           2.54243617538695     -0.51073363196539      2.66705086030577
  C           2.04985008962768      1.65348348702915      3.33612662094038
  C           2.23971940389351     -0.55788002860512      4.07250756864576
  C           1.85792517424289      0.75291770826119      4.47574456565115
  Rh          0.41251085613652      0.09752683482660      2.93110174687776
  C          -1.86665540522261      2.02064727848232      0.59865936318685
  C          -0.11496901500763      1.74296967042728     -1.52842332788711
  C          -0.83910611170145      2.92633495118602     -1.37471089368461
  C          -1.72331478200219      3.06246231493794     -0.30946563728042
  F          -2.68857396514818      2.18866264798193      1.66240388418327
  F          -2.41644292169503      4.19893129373926     -0.15878563295505
  F          -0.71049393609688      3.93141066470232     -2.25014953350130
  F           0.70053164901044      1.65248540304905     -2.59621251011415
  B           0.39364047944889     -0.80712070997410     -0.62667297947973
  C          -0.37955071740234     -1.86299792824508     -1.63284575642263
  C          -1.55555440349748     -1.62942831448719     -2.33972502945475
  C           0.17340854741612     -3.13041157037604     -1.81673056712696
  C          -2.13005498794180     -2.56133279231288     -3.19770850541021
  C          -0.36471216808855     -4.09030251741986     -2.66241087413373
  C          -1.52875307523460     -3.80043827139893     -3.36208607365695
  F           1.28124986299376     -3.48914483871969     -1.13535896605480
  F          -2.21621981839930     -0.46005736915886     -2.22197688962830
  F          -3.25572005851769     -2.27804450520468     -3.86624880949691
  F          -2.06576669382053     -4.70814269651162     -4.18252729222838
  F           0.21239115916630     -5.29146391071301     -2.80402640257177
  C          -0.63031064244334     -2.62960178135358      1.40786869493790
  C          -2.01462113058844     -1.05933738765284      2.27579770069503
  C          -2.16533902216102     -2.36855406019961      1.47209656633324
  C          -0.97997636135511     -1.42021192111591      3.39101877354497
  C          -0.33994640823781     -2.72031665488388      2.91672457035802
  C           2.88711466044374      1.42662986038509      0.90973019603038
  C           3.13600496741516     -1.61954766350359      1.86786509371763
  C           1.87345362200335      3.13464313395199      3.37826023835671
  C           1.54241111619756      1.17196687846092      5.87289286326994
  C           2.35378062952494     -1.73731619424274      4.98011832520810
  H           3.95661173658353      1.67652428764523      0.93258010518998
  H           2.72219448441688      0.70390987461166      0.11082739066907
  H           2.33817408566861      2.33766954841283      0.65647657222208
  H           2.80347129650053      3.61523727902618      3.70901502949330
  H           1.62503836139972      3.53585909746334      2.39317178836678
  H           1.08650218560621      3.43231354119175      4.07614917029300
  H           2.46576403753057      1.44912158138718      6.39883517617559
  H           0.87802987246295      2.03911310141618      5.89933640313315
  H           1.07065948878676      0.36177862693451      6.43466203317357
  H           3.17521216441370     -1.58154140608127      5.69026549889665
  H           1.43939830534670     -1.89646983452451      5.56067067556064
  H           2.57012435534632     -2.65392132270156      4.42878976293997
  H           4.22305071193109     -1.63370320039571      2.02879211656776
  H           2.74583627673802     -2.59517166218264      2.16789893842451
  H           2.94444862372905     -1.49330925937577      0.80196718858497
  H          -2.91384426239783     -0.53332661867140      2.60018846613502
  H          -2.71570110358659     -3.16351673754342      1.99049156468234
  H          -2.61397562675035     -2.18920789323156      0.48850738610393
  H          -0.29549084860804     -3.49058383461882      0.82886256940313
  H          -1.33019873166597     -1.39499664372952      4.42527228304561
  H           0.72379036145891     -2.79740506373831      3.14311834031375
  H          -0.83388283514170     -3.60607701790479      3.34619395655576
  F           1.77674793836803     -0.84127383731176     -0.91662922390550
  H          -0.78627184464365      1.34247173431388      3.05812689969292
  H          -0.85464410014180      0.89768442828109      3.78576204643226

65
AC-AD
  C          -1.13873051817834     -0.17413533890066      1.37039399084430
  C          -1.23731870508796      0.95830443059893      0.43811920361768
  C          -0.35115200842545      0.77780958666279     -0.64203397188437
  C          -0.19730525801692     -1.14104980393082      0.94299342450197
  C           2.48997529660870      0.80282208759782      2.21562367886387
  C           2.62000399601805     -0.58924676431043      2.64475508245150
  C           2.09813887811738      1.57165995490162      3.34365740182719
  C           2.30294604003469     -0.64877421683609      4.02686495162931
  C           1.92505038722382      0.67421091870163      4.46019483016762
  Rh          0.41249282449868      0.12365564661707      2.93066026002320
  C          -2.01379266518662      2.09754758092275      0.55036436526920
  C          -0.25370207327576      1.79034282400000     -1.57040367562408
  C          -1.02705149415757      2.94659069567511     -1.47056460279131
  C          -1.91509275844785      3.09736781227627     -0.40903029901920
  F          -2.84248535776652      2.27871436132499      1.60167794800008
  F          -2.65655819326407      4.20866859652089     -0.31581250992083
  F          -0.94261930547779      3.91320452729309     -2.39296384914209
  F           0.56283578434370      1.68104598576538     -2.63541963711957
  B           0.35942096565524     -0.69356899469013     -0.55697637608041
  C          -0.32825095410111     -1.80717318881757     -1.56276562125532
  C          -1.49235532755523     -1.64574217628012     -2.30774085225149
  C           0.28850174878574     -3.04993840125228     -1.70261637687886
  C          -1.99627397375564     -2.62116792303645     -3.16185561885329
  C          -0.17698323272515     -4.05185843958875     -2.54252514463124
  C          -1.33193413024520     -3.83279489616994     -3.28213159635862
  F           1.38854013456908     -3.34341783798427     -0.97690694005087
  F          -2.21341731446460     -0.50855530623778     -2.23188825079983
  F          -3.11558814953102     -2.40664572656295     -3.86565798081923
  F          -1.80135935620261     -4.78231261671590     -4.09677945253534
  F           0.45998642570354     -5.22705820528635     -2.63969726773510
  C          -0.72273130041227     -2.49881256843751      1.44852482163064
  C          -2.13344006054769     -0.91915027448601      2.26088877164271
  C          -2.25627050723516     -2.22105432812616      1.44012282920245
  C          -1.17176711596458     -1.31101206195949      3.42511177375881
  C          -0.50446623766926     -2.61163727333365      2.96491874837982
  C           2.90722261285512      1.39050200094830      0.90799534663294
  C           3.16800377568198     -1.70356897808101      1.81908851289626
  C           1.98260055741269      3.05964731788669      3.37535262677389
  C           1.64874838613785      1.07161679668087      5.87229733983287
  C           2.40533173497029     -1.83470584281280      4.92743270860939
  H           3.60929299657105      2.21370204964732      1.08598729525093
  H           3.38265363319389      0.64761011130827      0.26990126890787
  H           2.05533758208078      1.78787226554210      0.34583972085082
  H           2.95512737863740      3.50161567811724      3.62897969362180
  H           1.68081674781854      3.45245798455763      2.40162343094617
  H           1.25839748460878      3.39736257581128      4.11997026867340
  H           2.59166735152979      1.29010674827608      6.39041238981619
  H           1.02547241645452      1.96723848989763      5.92463810997149
  H           1.14637094089342      0.27230584263241      6.42304671039291
  H           3.25190824419941     -1.71248751385884      5.61488302255348
  H           1.50519863242064     -1.96441211780422      5.53742018782543
  H           2.57236596941068     -2.75618535219204      4.36595324883314
  H           4.26021061648152     -1.73904190845049      1.93094936001488
  H           2.77330766630757     -2.67303760829784      2.13398731672067
  H           2.92943366656050     -1.57070994344498      0.76359548048536
  H          -3.04207326558772     -0.38970967819481      2.54962991367679
  H          -2.84315387821781     -3.01475196837392      1.91899045381173
  H          -2.65108773386762     -2.02322845913650      0.43747114568751
  H          -0.37108498316921     -3.35735507570637      0.87589883758137
  H          -1.61010745679052     -1.34605354265120      4.42414120049067
  H           0.54339962120936     -2.70511364913850      3.24961816754650
  H          -1.03788095995616     -3.48850866829554      3.36404062583274
  F           1.74823455063116     -0.66104552804772     -0.80259082244515
  H          -0.48707119588990      1.38552361987476      2.85247958333874
  H          -0.70377357645222      0.27426068739119      4.00182079680983

65
AD
  C          -1.10317614812958     -0.09560176919594      1.43852299804216
  C          -1.17064577362232      1.00799074256154      0.46802387595315
  C          -0.32145048612235      0.75358998340188     -0.62469561916075
  C          -0.18491905006806     -1.10562512972235      1.04381776745591
  C           2.46845992117290      0.84553889669700      2.17616856582949
  C           2.79318237802463     -0.52310217327283      2.57710928390408
  C           2.05880986100312      1.57648684422346      3.36662935375462
  C           2.47271355740823     -0.63973405747721      3.94154265376005
  C           2.00112228671700      0.65068415339756      4.44273906512939
  Rh          0.56559690793760      0.09531228594164      2.85420595896041
  C          -1.88794299048286      2.18747848144100      0.56231803032844
  C          -0.20116905366366      1.72951223739460     -1.58959464278044
  C          -0.91729565978365      2.92309392136807     -1.51082382188260
  C          -1.76709042090470      3.15076508753894     -0.43158191694362
  F          -2.67711117795528      2.44474488096759      1.62814892287260
  F          -2.45030282712803      4.30081337761954     -0.35471087861096
  F          -0.81296532863929      3.85496035048538     -2.46744139296201
  F           0.58423239647078      1.54657508364903     -2.66875088342801
  B           0.35427978151740     -0.73120452080660     -0.48809027532177
  C          -0.32536049531173     -1.85937938298605     -1.47943443861554
  C          -1.47188061627870     -1.70004381874980     -2.25036436263241
  C           0.27991923188271     -3.11038798004049     -1.58487176362747
  C          -1.97179924756669     -2.68584293579061     -3.09492537530981
  C          -0.18143755693303     -4.12397456994993     -2.41329031330126
  C          -1.31942409089382     -3.90689226425943     -3.17912177986982
  F           1.36440552080529     -3.40112590741800     -0.83359094435159
  F          -2.18333701189781     -0.55408811019968     -2.20553884877830
  F          -3.07619562247260     -2.47258322058401     -3.82313924055562
  F          -1.78458493378328     -4.86749071619743     -3.98421139819241
  F           0.44452580860627     -5.30805649902998     -2.47594941728294
  C          -0.82353703326910     -2.43329448347609      1.51083924232380
  C          -2.21231053697724     -0.78529184578654      2.23142482714005
  C          -2.33016896370503     -2.06457344299915      1.36827635982849
  C          -1.54194073944805     -1.35259910242049      3.52407335563346
  C          -0.75531681914795     -2.60006884903877      3.03863850949382
  C           2.78655234226881      1.50514611630183      0.88139122570215
  C           3.41671625107055     -1.56410843784106      1.71318307965566
  C           1.84327668614811      3.05082284351753      3.41509520550436
  C           1.67771033169236      0.94616893936599      5.86848753861405
  C           2.59849308542890     -1.85394256310081      4.79526209639735
  H           3.50550052237777      2.31610930420489      1.05669259394853
  H           3.19468197301147      0.80133602379498      0.15884234121061
  H           1.89031314324352      1.94444708266055      0.42945934581930
  H           2.80679747728355      3.55582593080781      3.56317547202336
  H           1.41486266093091      3.41614038177464      2.47901907899289
  H           1.17876793113420      3.33883536546317      4.23206036635419
  H           2.59861555871400      1.09869617396111      6.44675536438759
  H           1.07006830265242      1.84901128163894      5.96008445735957
  H           1.13111656445476      0.12222174527570      6.33600607326723
  H           3.46588786257818     -1.75649876433475      5.46098376485544
  H           1.71841133462872     -1.98841521748700      5.43288061618078
  H           2.73342513318264     -2.75849999411721      4.19964787399346
  H           4.50433324731428     -1.41320789955355      1.68479107212312
  H           3.23115741493864     -2.56900991387111      2.09941026759713
  H           3.03373992737432     -1.51503848685375      0.69367161235092
  H          -3.11609596295550     -0.19980363392963      2.40589590329616
  H          -3.00533735268068     -2.82459794229830      1.78475126491776
  H          -2.62340700691980     -1.83791352638457      0.33879756600508
  H          -0.47933708655053     -3.30939753425723      0.95985335945283
  H          -2.27622838430486     -1.58859752626336      4.30268596294361
  H           0.26711115328446     -2.64949425445847      3.42120237618233
  H          -1.26696207810055     -3.52370404802085      3.33407549966795
  F           1.74833908024088     -0.71124379224999     -0.74350571278403
  H          -0.45461509741680      1.26665834299112      3.00144595869058
  H          -0.90497108238587     -0.57957154402240      4.04536091848741

63
AE
  C          -0.34951799602588     -1.77265549998870      0.55310502845720
  C          -0.04448276678533     -0.46479109937514     -0.01232556642597
  C           0.26236388330003     -0.59117699497388     -1.38513625673683
  C          -0.12606705410518     -2.82363755149181     -0.36307405733759
  C           3.34187327377610     -4.10701581691993      1.51000435638404
  C           3.37993146776530     -3.00199349841067      2.41893324863634
  C           3.25716188505968     -3.56906868391746      0.18251501162458
  C           3.40516817633282     -1.76361951764182      1.66390055251256
  C           3.33189740145283     -2.10735229572887      0.29301610509206
  Rh          1.48166759410135     -2.91026121870202      1.25273596726706
  C           0.01464761271533      0.75987189067108      0.63177568509403
  C           0.62866783585623      0.54710244071453     -2.06674994002752
  C           0.68463420839879      1.78943418016761     -1.43469585470236
  C           0.37897249501973      1.89557256961828     -0.07923716278879
  F          -0.24185328568407      0.86632199445291      1.95416755840372
  F           0.44954713336604      3.08837491834665      0.52647709692872
  F           1.02358826308785      2.89232236254531     -2.11322808752101
  F           0.92571769071459      0.50668305590067     -3.37892905177065
  B           0.12480345877772     -2.15620598186611     -1.86153466314866
  C          -1.27656473846364     -2.50545883587791     -2.64961100662130
  C          -2.35006617797417     -1.64513229995758     -2.85383397344509
  C          -1.45331519365012     -3.79549187499363     -3.14773305471429
  C          -3.50809570806816     -2.01535663952577     -3.52981217160493
  C          -2.59020867490797     -4.20927219865551     -3.82789970623351
  C          -3.62790008524317     -3.30687543475086     -4.02216687599724
  F          -0.49301751007638     -4.72511884066525     -2.96296797936787
  F          -2.32151028040866     -0.37942617360055     -2.38912249959081
  F          -4.50793088753821     -1.14196640788553     -3.71068288240371
  F          -4.73286561350998     -3.68035016979594     -4.67514566441120
  F          -2.70514321632295     -5.46228391866089     -4.28978646295981
  C          -0.95203597008632     -3.98488109700201      0.19560321956033
  C          -1.35583100979619     -2.25132757248850      1.61400817863149
  C          -2.18504302567601     -3.25135752813327      0.77589918877540
  C          -0.47594326324013     -3.20748702230465      2.44743642313923
  C          -0.08545817954911     -4.25739219695402      1.42899458060846
  C           3.40736375461033     -5.55277451089677      1.87289454347246
  C           3.46145091191768     -3.10255290288735      3.90442170515982
  C           3.32527056851215     -4.34429952113088     -1.08587827664404
  C           3.44429363492512     -1.16355261469349     -0.84774805432662
  C           3.54656844031534     -0.38722464089477      2.22507763455395
  H           4.45036268906860     -5.89110793556068      1.92041976347187
  H           2.95404036207754     -5.74680992048705      2.84902355186803
  H           2.89277969048860     -6.17032953596714      1.13302661342495
  H           4.37231529416521     -4.43294454760834     -1.40717065089993
  H           2.92720263659430     -5.35395244446253     -0.95850760875831
  H           2.75891024165844     -3.85401104197865     -1.87864131179679
  H           4.50633062505129     -1.03878135771870     -1.10098718571913
  H           2.92399347514940     -1.53164947484185     -1.73322358736757
  H           3.04411528026192     -0.17865641300841     -0.59502722031712
  H           4.60402876868392     -0.10176993022719      2.30017474083477
  H           3.04833319845395      0.35071742538939      1.59057534378259
  H           3.11082889113574     -0.31020891138665      3.22454762988698
  H           4.51273203798993     -3.13406973202732      4.21907064149374
  H           3.00006000825768     -2.24060183565341      4.39325779357248
  H           2.97951350873184     -4.01072465222205      4.27573279928203
  H          -1.88258011463014     -1.47782506889105      2.17394170760527
  H          -2.83281153377209     -3.89125083128829      1.38966113874155
  H          -2.77692487486052     -2.75787086060711     -0.00299470604739
  H          -1.12328023881153     -4.83296518667455     -0.46585264315469
  H          -0.87641271300799     -3.59426695934676      3.39150983111648
  H           0.16429736615772     -5.27054325058776      1.73709514349207
  H           0.42665201485442     -2.58657428488629      2.83821074178605
  F           1.21898833340838     -2.58725810160309     -2.64534236181958

65
AF
  C          -0.31659084028014     -1.55102562958168      0.60913114924581
  C           0.06344370478008     -0.35860529976598     -0.11198406324895
  C           0.25864312386301     -0.66593455981462     -1.48234456365040
  C          -0.27568604755950     -2.70657494476776     -0.18074014182822
  C           3.64240526961447     -4.20773958415772      1.15181747751106
  C           3.22038678816211     -3.38139611207969      2.24043956950183
  C           3.79905080902795     -3.36508171629073     -0.03444989023285
  C           3.00622652038234     -2.06088540345047      1.71732580053443
  C           3.41319726927067     -2.06260154927711      0.30872197441316
  Rh          1.62048860525098     -3.45522481200449      0.69766467036892
  C           0.19560701640460      0.94262531659257      0.36089524957369
  C           0.63476667710034      0.35501896491871     -2.32177387033552
  C           0.78191399824832      1.66296909142137     -1.85664708115490
  C           0.55836514312982      1.95825137162884     -0.51223949645846
  F          -0.01013046640520      1.24480371905131      1.65915291490189
  F           0.69618556738623      3.21568430089928     -0.07761940445549
  F           1.11917804237090      2.65312281024494     -2.68628688948098
  F           0.83497632818106      0.14013611345043     -3.63304493371956
  B          -0.01527489938046     -2.26256646782371     -1.75700241415960
  C          -1.39309307081773     -2.61273881410066     -2.56825925238466
  C          -2.35752736096788     -1.71233000561135     -3.00579864818753
  C          -1.67425404873837     -3.95073571790198     -2.83548582589007
  C          -3.50801224194397     -2.09656203224715     -3.68695970003791
  C          -2.80623221923264     -4.38206088703077     -3.51119804592096
  C          -3.73285179551225     -3.44143041824170     -3.94273873794944
  F          -0.82193115316229     -4.91182964233326     -2.41199247213447
  F          -2.21900884017742     -0.38880731214159     -2.78340185584415
  F          -4.39994700686614     -1.18669681373246     -4.10085624280526
  F          -4.83322723239187     -3.82932294680139     -4.59525470049917
  F          -3.02372792929806     -5.68420377014316     -3.74294635650349
  C          -1.11056016655411     -3.70167538361384      0.65164585196671
  C          -1.15514765743735     -1.77606680666135      1.84911522493875
  C          -2.18931587524049     -2.77029172974200      1.24242067368225
  C          -0.38620629829956     -2.75219518204577      2.77629100490746
  C          -0.09787393100891     -3.91327771377437      1.81885048672221
  C           4.04796183617203     -5.64050343675552      1.24995272073158
  C           3.08341578883630     -3.80351566069821      3.66406642052856
  C           4.28408419135794     -3.81460204990508     -1.37235123151198
  C           3.47200679184862     -0.86678486838763     -0.57447997009372
  C           2.74695881151255     -0.82613181618962      2.51176971561142
  H           5.11452883433046     -5.71331603678925      1.50059207684715
  H           3.48616841668582     -6.16440374631673      2.02699178073341
  H           3.89631431255882     -6.16929930509028      0.30610538567454
  H           5.36353331861494     -3.64008683594764     -1.46844303014943
  H           4.10709010685123     -4.88162501212228     -1.52737018365511
  H           3.77432782084085     -3.27393958037450     -2.17360795320086
  H           4.48203895920202     -0.43573538900026     -0.55438974737098
  H           3.23171031056251     -1.12628131248818     -1.60880198663523
  H           2.77542993158803     -0.09145765501580     -0.24923414852819
  H           3.69886715500203     -0.32408983284691      2.73154776512811
  H           2.12196280557475     -0.11576944975546      1.96647432543329
  H           2.26401666316147     -1.04315820723763      3.46691364122391
  H           4.03083618847335     -3.65911786662147      4.19934177373285
  H           2.31968790026383     -3.22151256885628      4.18584503171676
  H           2.81183598724631     -4.85905905914781      3.74548552119919
  H          -1.53552517496042     -0.87677091657622      2.33607683776895
  H          -2.82802476272408     -3.22989712106406      2.00636697241314
  H          -2.81015152386143     -2.32125290361708      0.45851181376599
  H          -1.43636849093852     -4.60698460541847      0.13712741539403
  H          -1.03704206587838     -3.05845983586076      3.60881124681979
  H          -0.07108458992437     -4.90326919846108      2.28086733346407
  H           0.50593293068393     -2.29360655101488      3.20602359513820
  F           1.09531041198619     -2.87540279066211     -2.40424091266035
  H           1.15228654758465     -4.99001348178831      0.04111479784626
  H           1.19021080544986     -4.47889533906098     -0.63894746875152

65
AF-AG
  C          -0.19002301614712     -1.69359796797916      0.76777866247435
  C           0.11086327026214     -0.46930235700773      0.01822022490746
  C           0.10769737047724     -0.72299497443957     -1.37803344199553
  C          -0.42023743768021     -2.77580071023698     -0.12382771497850
  C           3.49024586857657     -4.14195416160516      1.16755505130718
  C           3.22657247613126     -3.23811771589945      2.24803272681161
  C           3.66157833668992     -3.35159993377730     -0.04238169070278
  C           3.14628202972498     -1.92231383952435      1.71405614929630
  C           3.41894906485454     -1.99378038496791      0.28927478331387
  Rh          1.51715201792826     -3.26889885799917      0.68602377444234
  C           0.34442336578947      0.80755193573969      0.49711800510400
  C           0.42231801494434      0.30806874738427     -2.23073387927056
  C           0.68026373212250      1.59622951676002     -1.75435077413113
  C           0.62790810513656      1.84576767919782     -0.38854499742772
  F           0.30595061619046      1.08497504151966      1.81706899695760
  F           0.85779545074907      3.08060091012625      0.07065732898339
  F           0.95890081442880      2.59698487637670     -2.59598223692036
  F           0.46129296402470      0.11971858170533     -3.56155018053270
  B          -0.30872369813527     -2.26007690194565     -1.64119041939620
  C          -1.48701703063713     -2.67096074966854     -2.63528765849184
  C          -2.40781178453338     -1.78501463883627     -3.18994641061965
  C          -1.71200974452085     -4.01852916139223     -2.92002031876488
  C          -3.46133915146188     -2.19465904662943     -3.99960855140395
  C          -2.74523933280240     -4.46904270931368     -3.72785734224495
  C          -3.62832837601157     -3.54500018137052     -4.27271836708759
  F          -0.90026649791765     -4.95551618236839     -2.39163815758465
  F          -2.32555614543177     -0.46644325118768     -2.94381066888972
  F          -4.31913890194263     -1.30471222297104     -4.51042289710694
  F          -4.63608579678281     -3.95443112088207     -5.04574719082577
  F          -2.91023699119874     -5.77343036103132     -3.97661623943204
  C          -1.22056812172946     -3.75071989019135      0.74017935291816
  C          -1.01964379993523     -1.90252014701196      2.04392847891633
  C          -2.17209768236707     -2.76638955104299      1.45345125272270
  C          -0.30734801799021     -2.98142560999722      2.88136862233949
  C          -0.10089005951287     -4.04313976354103      1.79539822685338
  C           3.78631861034912     -5.59816977782137      1.31849316548546
  C           3.11421877850014     -3.63418953712894      3.68324802238915
  C           4.13868153161099     -3.87806406193750     -1.35711123656931
  C           3.54854034111127     -0.82642003752208     -0.63105765238324
  C           2.98459213326797     -0.66370059942418      2.49889959566488
  H           4.83677728353735     -5.74764095243372      1.60163803796759
  H           3.16432715983683     -6.04936258388223      2.09626011941154
  H           3.60894571865518     -6.14325984157815      0.38883360091581
  H           5.23549842466392     -3.92236281748441     -1.36805441696321
  H           3.76353461926389     -4.88704435972780     -1.54558066202023
  H           3.82241344137663     -3.24176160886404     -2.18705440765324
  H           4.57524765627233     -0.43743363204502     -0.62050725876948
  H           3.30145782201886     -1.09931237822552     -1.66022380279602
  H           2.88340260206912     -0.01041801561291     -0.33890310974412
  H           3.94644324053863     -0.36888972152751      2.93948477846786
  H           2.64753595521230      0.16113246487675      1.86954181789729
  H           2.26547417339229     -0.77554115319786      3.31473673444447
  H           4.09541180990423     -3.93296271231028      4.07345679673089
  H           2.75266889189424     -2.81041304768998      4.30308840503766
  H           2.43510800808418     -4.48276689562235      3.81738064124629
  H          -1.29258544455374     -0.98911949499414      2.57488609484752
  H          -2.80511426106591     -3.21545702977107      2.22831165723168
  H          -2.79697406387739     -2.21766713069129      0.73860020440494
  H          -1.64789297172780     -4.62032826527845      0.23975473223862
  H          -0.96109248577987     -3.33318415268308      3.69494536336041
  H           0.01740251923854     -5.07677947655224      2.12291313569160
  H           0.62257964577328     -2.62507714713106      3.33018910282596
  F           1.03019677162516     -3.00811043489994     -2.20383707222134
  H           1.13998964644574     -4.58709541615119     -0.07126024146939
  H           1.36532053106967     -3.34728407867913     -1.19176764521070

65
AF-AJ
  C          -0.17231043926510     -1.72559610837833      0.57719379682019
  C           0.16557648237098     -0.49823174118668     -0.12300216083887
  C           0.27010904806368     -0.73674371320116     -1.51410967615342
  C          -0.24333584540103     -2.83527141418359     -0.29892812518841
  C           3.65991102853839     -4.13574487004576      1.23427502401325
  C           3.27607892505719     -3.23499020104584      2.30204596617499
  C           3.78246065916213     -3.36568533505418      0.02331719634061
  C           3.11807801224414     -1.94099314430489      1.74969212834299
  C           3.40328251475766     -2.02797987724128      0.32203376799585
  Rh          1.62596684322524     -3.41857450439434      0.70656371360939
  C           0.30397913037046      0.78202317573887      0.39823221494067
  C           0.58190334562614      0.32768804858872     -2.32717905112357
  C           0.74796591979588      1.61427632563500     -1.81322919023313
  C           0.59965718227920      1.84315798646947     -0.44635505069595
  F           0.15634178156264      1.02751512615352      1.71851164871166
  F           0.74332842377320      3.08188327602845      0.03937719271606
  F           1.02429219314811      2.64617159122463     -2.61569729964786
  F           0.68907921725174      0.17601064247360     -3.65827422033131
  B          -0.04319038679380     -2.31399930068313     -1.85872266363808
  C          -1.45651024505406     -2.60216222804622     -2.63327034347025
  C          -2.42830317629385     -1.67056403810091     -2.97952947940816
  C          -1.76611318956356     -3.92231594505153     -2.95570257420594
  C          -3.61218900270554     -2.00611005732152     -3.62860966544763
  C          -2.93202914494942     -4.30462425262043     -3.60359412723692
  C          -3.86411004629311     -3.33298526330918     -3.94531342832841
  F          -0.91234641157938     -4.91183927702945     -2.61669489256638
  F          -2.26662579011470     -0.36243772894971     -2.69015090838908
  F          -4.51228914761161     -1.06646457093784     -3.94854424579942
  F          -4.99625813927692     -3.67501575271179     -4.56877083724903
  F          -3.17738505847905     -5.59070277729499     -3.89144099753939
  C          -1.14429402689375     -3.80264791431599      0.48784159490591
  C          -1.08632612265499     -1.93597595843536      1.78011126705149
  C          -2.16803703320334     -2.82022734766223      1.09166991374653
  C          -0.43987389598698     -2.98810220060424      2.70030868842765
  C          -0.19917871192653     -4.12058923463934      1.68787335137133
  C           4.07080464271680     -5.55945063598410      1.41753018533438
  C           3.15778600370283     -3.61737692357189      3.74049858671818
  C           4.26224621205208     -3.84968275189750     -1.30458612436240
  C           3.47773434436587     -0.89151995512396     -0.63755187923292
  C           2.86779053766157     -0.68044451026387      2.50595264926392
  H           5.13763589299155     -5.61280139061049      1.67073160372628
  H           3.51379162131754     -6.03617972143598      2.22807936096781
  H           3.91424762891601     -6.14303372005338      0.50772136950439
  H           5.32636540309156     -3.61078783140072     -1.42848581768381
  H           4.14596736825023     -4.93087076146510     -1.40557974148488
  H           3.70626162768693     -3.37576164249515     -2.11724196113216
  H           4.52263711100251     -0.57798751594474     -0.76357005949053
  H           3.08776760802210     -1.17804656142166     -1.61825528813187
  H           2.90985563666860     -0.02686079196230     -0.28926103241537
  H           3.81245253359842     -0.29230790577744      2.90943629936217
  H           2.44269821471927      0.09455774513850      1.86743201557839
  H           2.18649666868352     -0.83063988378487      3.34774233544968
  H           4.15263096289410     -3.75105946205746      4.18416994130733
  H           2.64129486060789     -2.84861567952520      4.32012597875492
  H           2.61377715311032     -4.55865220291098      3.86590185770685
  H          -1.41914354170616     -1.02360541142937      2.27689738255591
  H          -2.87185659586958     -3.26396755684534      1.80678884840553
  H          -2.72147107936852     -2.29040156300452      0.30793453274462
  H          -1.51763877398169     -4.67022179515941     -0.05726456872457
  H          -1.14948971765697     -3.30106798081844      3.48098944520280
  H          -0.28681268008606     -5.12211477524282      2.11479523685299
  H           0.46498148709579     -2.62809959683747      3.19409865423231
  F           1.03559494098812     -2.90851481378581     -2.56693792923528
  H           1.10092332529224     -4.87089758066423      0.88530546040569
  H           1.33142671005308     -4.14489823922656     -0.62617686985773

65
AG
  C          -0.22963352721469     -1.69782799166607      0.98365476141175
  C           0.01923289620982     -0.43399279195349      0.26889030087697
  C          -0.14082685962908     -0.61530813219165     -1.13554582658381
  C          -0.57817193392491     -2.72712076293141      0.03607839702050
  C           3.33982898849017     -4.15371647153365      1.10233381483092
  C           3.18681082788740     -3.16810876318577      2.13101444276038
  C           3.51453125381289     -3.45495914511357     -0.16263220436745
  C           3.16882809705665     -1.88686743380530      1.50579156457089
  C           3.37475220657887     -2.06626309291113      0.08411075818212
  Rh          1.39607965527066     -3.20766372070333      0.71687522199495
  C           0.34738250250821      0.80527769644496      0.77400665214446
  C           0.15520262209177      0.43641898473514     -1.97657799694700
  C           0.52654209163889      1.68558789750517     -1.46778893926614
  C           0.60235531986581      1.87096660730900     -0.09473668123516
  F           0.43327619462865      1.03131931248938      2.09981645360818
  F           0.93868095387144      3.06714954865828      0.39417609153333
  F           0.79862095086424      2.70564527626287     -2.28784253531361
  F           0.08931734211710      0.31206421543760     -3.30819348855695
  B          -0.71313096692596     -2.06765973312301     -1.35751316393530
  C          -1.56947757619568     -2.60285406424223     -2.54456984165904
  C          -2.40467467052325     -1.78825153806424     -3.31287173018646
  C          -1.59791733560610     -3.96530921134084     -2.85745771653777
  C          -3.18681031289673     -2.27534845649280     -4.35067417368688
  C          -2.35105017309812     -4.48561988032235     -3.89828296815561
  C          -3.15348386864192     -3.63219260642049     -4.64712731993684
  F          -0.85535762230649     -4.83047567862094     -2.15217874993527
  F          -2.51259410591401     -0.48082914532680     -3.03698618476207
  F          -3.97847772212835     -1.46281058525673     -5.05662303607384
  F          -3.89909234340185     -4.11723387827025     -5.63855906652619
  F          -2.32792590328018     -5.79163517520669     -4.18136401397547
  C          -1.31235812728087     -3.73210662079356      0.92158541484625
  C          -1.02023830114753     -1.93948556774136      2.28392448881375
  C          -2.21216955368153     -2.76796811768743      1.72515193838178
  C          -0.28025476422183     -3.05339661295045      3.04371101911294
  C          -0.12457196865112     -4.05611327555857      1.89582861205192
  C           3.56038707353759     -5.61306586655770      1.33294768537128
  C           3.17343095417105     -3.45554015343877      3.59562466234908
  C           3.97448359125415     -4.10863266636872     -1.42599947653886
  C           3.52159461773815     -0.95736629670067     -0.90446636812457
  C           3.16474790587175     -0.56972195020631      2.20422385179459
  H           4.61332350417537     -5.80882456187774      1.57649597114531
  H           2.95306331254888     -5.97831136462641      2.16573750450858
  H           3.30470824108383     -6.20105235504391      0.44859260351540
  H           5.04155412323894     -4.35144796457835     -1.33448135495074
  H           3.44101926251761     -5.04156761665060     -1.62605523769642
  H           3.84761453867424     -3.46048123622473     -2.29395849718092
  H           4.52920880260628     -0.52355070815653     -0.85741334930673
  H           3.34384803469263     -1.30313735850970     -1.92506486431536
  H           2.80846816550840     -0.15185548574638     -0.70487858789012
  H           4.18787467247507     -0.31258529860016      2.51074812528254
  H           2.81476049982022      0.23185548226635      1.55087765295009
  H           2.53893555306124     -0.57353384907570      3.09982999238360
  H           4.18140004961839     -3.72617866339467      3.93600726820350
  H           2.85407754673190     -2.58737146509264      4.17728146996594
  H           2.50945565431737     -4.29098180743565      3.83949851666880
  H          -1.25395732365409     -1.04046498566173      2.85707442232843
  H          -2.80491379314400     -3.24060328155444      2.51766482763554
  H          -2.87153523548543     -2.18820417086240      1.06815878504316
  H          -1.77538915487771     -4.58663488114025      0.42700771163751
  H          -0.89931724498659     -3.44188970243976      3.86794509038911
  H           0.02639000443584     -5.10341580534268      2.16126670998841
  H           0.66946242155479     -2.71674929645804      3.46374309779548
  F           1.38965849518057     -2.99891520966576     -2.57348234088987
  H           0.98662442843958     -4.49310994791639     -0.07319323134447
  H           1.46513103267153     -3.23138761836754     -1.65426993521850

63
AH
  C          -0.47924097583805     -1.51042849097239      1.30105204778344
  C          -0.09461655261538     -0.33208151350858      0.52605846616532
  C          -0.11685808078803     -0.66027594075298     -0.86449069257551
  C          -0.97221243015281     -2.53618530521102      0.43088884554264
  C           2.98089631475630     -4.18017079215862      0.80470669587742
  C           3.05758723481708     -3.22025589201315      1.86774018144874
  C           2.98381530169737     -3.45024669580175     -0.45066195985251
  C           3.06536695345114     -1.91586041115764      1.28366686878051
  C           3.03351393131951     -2.06260469267388     -0.14692707904997
  Rh          1.07262234503477     -3.10413657125800      0.73708435636486
  C           0.24167338000882      0.93552913841710      0.94505102964900
  C           0.22589956192089      0.32071912630645     -1.76302282945635
  C           0.54918576859440      1.61955517167183     -1.34537798576990
  C           0.55545540294375      1.92520447319870      0.00576411451125
  F           0.26803842035411      1.26439838585654      2.25298281753927
  F           0.87149003196357      3.16003782745070      0.41102648947917
  F           0.86972373356184      2.56162894621429     -2.24003639593478
  F           0.27642159835562      0.07573043526230     -3.08658867987843
  B          -0.61474451235041     -2.16959863520030     -1.00766138147726
  C          -1.05873034891597     -2.82593990453365     -2.37544355999340
  C          -1.93638284444982     -2.09734323387395     -3.18403854346946
  C          -0.70850189620799     -4.07890456706118     -2.87384880150445
  C          -2.40603246714761     -2.54572937423789     -4.40970437252747
  C          -1.14831328002835     -4.56158268893977     -4.10071487532928
  C          -2.00370247547012     -3.79095554464342     -4.87457094072425
  F           0.10544948946564     -4.89712729773868     -2.18088668590659
  F          -2.38915602450351     -0.90319474587364     -2.76368739868630
  F          -3.24534468573311     -1.80347608565752     -5.13850802748710
  F          -2.44378375292264     -4.24603869654490     -6.04909929801267
  F          -0.75978110928337     -5.76568488237873     -4.53809839395064
  C          -1.58239442170789     -3.53349665064918      1.40758674514315
  C          -1.04265321638450     -1.74302328611816      2.70561132690379
  C          -2.31837173918775     -2.56025842114715      2.35200060350618
  C          -0.18984214239687     -2.87189741961158      3.32086822871651
  C          -0.25827652916105     -3.88730227546661      2.17244373871541
  C           3.11083907987625     -5.65923532636164      0.96984353740506
  C           3.23796800896817     -3.56369373297453      3.30949737664864
  C           3.09851867417239     -4.05164452394158     -1.81104843557592
  C           3.18579920449491     -0.95800745577034     -1.13458538513219
  C           3.20865015609586     -0.62191387363290      2.00961064118566
  H           4.16825493196070     -5.94479991232633      1.04724963691236
  H           2.60641306037798     -6.00218553973140      1.87745646971196
  H           2.67812401562150     -6.19671487320814      0.12308113754124
  H           4.15543478866940     -4.10969400595091     -2.10447889482343
  H           2.68477827228096     -5.06056880945705     -1.84255698919535
  H           2.57543713778667     -3.45460989802258     -2.56240263622993
  H           4.24978413264390     -0.77648511324083     -1.33856614935220
  H           2.70060585377085     -1.19323021238890     -2.08521578061121
  H           2.75968304484990     -0.02272096430484     -0.76471507138960
  H           4.26673817625723     -0.33545964109110      2.07615572218502
  H           2.68735332600595      0.18640251392736      1.48950035287298
  H           2.81189864362558     -0.67750432294399      3.02635583235288
  H           4.26062460633606     -3.92105483764085      3.48667828869645
  H           3.07720909540042     -2.69981538657401      3.95856960276985
  H           2.55372365962285     -4.35714130146732      3.62673779956100
  H          -1.16780184384445     -0.85031423347404      3.32028107628995
  H          -2.76886640124907     -3.03289236225724      3.23244784224463
  H          -3.07358665060873     -1.97220234596649      1.81839465778449
  H          -2.13770448791433     -4.37272912431628      0.98693321382085
  H          -0.64927057070253     -3.25048179281996      4.24756411363217
  H          -0.09561724157818     -4.93676546429967      2.42333176179872
  H           0.82409754199260     -2.54256759854496      3.55540617342463
  H           0.48725680208757     -4.37208635041286      0.08195145093095

63
AH-AI
  C          -0.42432688573819     -1.74854705857361      1.45452891648428
  C          -0.11056797888559     -0.41906111777933      0.92420163715198
  C          -0.15518029570411     -0.44864347819187     -0.50616553348921
  C          -0.91996936183697     -2.57696363080857      0.37658674256834
  C           3.07909318793585     -4.09796642542725      1.13169888294072
  C           3.13662147680201     -2.78773661912680      1.69918486435477
  C           2.96054355687555     -3.96970611107566     -0.30865698570262
  C           3.00623627225270     -1.84983092967305      0.61776273931206
  C           2.92008382750560     -2.57884516972063     -0.61859608365327
  Rh          1.11637867649691     -3.16291343357126      0.72508643029009
  C           0.20730946756135      0.74430926648649      1.58673733528521
  C           0.17310856209160      0.70312193576302     -1.18758775703682
  C           0.46515123956371      1.89635236975350     -0.51493275016748
  C           0.47646930678889      1.91470715997465      0.87083765019153
  F           0.29337550179956      0.78582835590563      2.93373119897761
  F           0.77758806436682      3.04422320973415      1.52111576946546
  F           0.75410256319758      3.01209996216853     -1.19739814264967
  F           0.22614416523969      0.73481994984559     -2.53357239894414
  B          -0.64124115162105     -1.89484088341464     -0.94797621969898
  C          -0.99552316395216     -2.35769380918388     -2.40700447904086
  C          -1.78735518162765     -1.55367222040340     -3.22969091192282
  C          -0.61147363368602     -3.57737069487084     -2.96015185393800
  C          -2.14225047084109     -1.90569385566000     -4.52434912763731
  C          -0.93143132471744     -3.96041836988676     -4.25551934036054
  C          -1.70493122184033     -3.11820788289194     -5.04301458843720
  F           0.12618439511883     -4.44439667506667     -2.24093383547963
  F          -2.27770407179883     -0.39695530160600     -2.75620346824346
  F          -2.91082138509014     -1.10538409238472     -5.26969552844145
  F          -2.03686594509435     -3.47659658547472     -6.28476393478095
  F          -0.51122930540629     -5.13294175512007     -4.74744582815560
  C          -1.63482992111096     -3.69682292187828      1.11803994261506
  C          -1.07421588533577     -2.22227393293779      2.76216454932714
  C          -2.36835677676605     -2.87930938961079      2.20170073236444
  C          -0.31402481685063     -3.49393809119687      3.18933077624870
  C          -0.40174045904893     -4.29761396793792      1.87200180646015
  C           3.23276236994062     -5.38562926009305      1.87238408868211
  C           3.39169328414434     -2.43736826394243      3.12788432599911
  C           3.05931726063573     -5.09234548962445     -1.28818802742166
  C           2.89570325185282     -1.97638507580308     -1.98367203707213
  C           3.15890580084872     -0.37492204655619      0.73906165522443
  H           4.29372460490969     -5.64925807424889      1.97031810065391
  H           2.81152475932175     -5.32247858284431      2.87980993992869
  H           2.73445910765946     -6.20657212011898      1.35035062293690
  H           4.11268858263463     -5.36075883242079     -1.44630852775686
  H           2.53838201052570     -5.98721539136944     -0.93859197201701
  H           2.63375439882297     -4.81980356432129     -2.25514295577866
  H           3.91811717229653     -1.83948762955910     -2.36107071560070
  H           2.36076098392917     -2.61345592888429     -2.69311803370773
  H           2.40910984915350     -0.99799473486167     -1.98119514163382
  H           4.21360110130211     -0.10100075339298      0.60022837229541
  H           2.57828236032097      0.15443014936886     -0.01866566783511
  H           2.85089622257444     -0.01226912911122      1.72267641229074
  H           4.44894981309798     -2.18250355239352      3.28144960782039
  H           2.79551296650471     -1.57617135018321      3.44462352559970
  H           3.15883306270096     -3.27208501499043      3.79405700853244
  H          -1.19402629576173     -1.46406250527133      3.53762858913859
  H          -2.89413155112476     -3.48422051147249      2.95057363777372
  H          -3.06052928865672     -2.15608195003059      1.75712591275255
  H          -2.21537573347573     -4.40134222732356      0.52001867879205
  H          -0.84818349733343     -4.01319370274272      4.00116285648427
  H          -0.40292436019401     -5.38202584008242      2.01335441927206
  H           0.70596241299105     -3.29540764942404      3.52231475593234
  H           0.43242132373440     -4.57262377446048      0.58452436245671

63
AI
  C          -0.34371716744508     -1.81817012416146      1.47928345790956
  C          -0.12509079623217     -0.43706296104335      1.02513732570493
  C          -0.19959558740530     -0.36439193204482     -0.40334563402687
  C          -0.75775603923382     -2.61441062457886      0.33178130108316
  C           3.23312248730301     -4.04106899102992      1.15118617396048
  C           3.31105602634324     -2.69264889679894      1.61196488131976
  C           3.03110012756913     -4.06169006887376     -0.28794206934623
  C           3.02345532148417     -1.85825600377098      0.47577082624857
  C           2.88206136338970     -2.71714015854368     -0.70668478233300
  Rh          1.27964614597057     -3.07567133852326      0.77894172415258
  C           0.18523695778794      0.68602010473361      1.75810720370579
  C           0.10156329319087      0.83775598580204     -1.00985986062988
  C           0.38750941731848      1.98541140489099     -0.26359641312592
  C           0.42266323857186      1.90680317484094      1.12033965804792
  F           0.30116789452476      0.63714947137883      3.10351600809867
  F           0.71305386061622      2.99633615310444      1.84062839461327
  F           0.64350023585237      3.15283590234477     -0.87094002202683
  F           0.14950389300752      0.95768903254619     -2.35153739211448
  B          -0.62360130838341     -1.79507218857167     -0.93073703329411
  C          -0.96983092450276     -2.23062528789212     -2.39551018661068
  C          -1.73543577763400     -1.43056981650526     -3.24680791428050
  C          -0.59778879896585     -3.47025438175154     -2.91685199956490
  C          -2.06850221399878     -1.80245676016370     -4.54210002942609
  C          -0.89230745418961     -3.87037169398151     -4.21200636130146
  C          -1.63640778465266     -3.02964028199232     -5.03017399992260
  F           0.10426289585763     -4.33755535908752     -2.16148562808270
  F          -2.22751270904984     -0.26478259935793     -2.80282163425782
  F          -2.81404073145711     -1.00809510054427     -5.31636974649179
  F          -1.94833752518264     -3.40579155799499     -6.27152676608667
  F          -0.48067200046203     -5.05754295108935     -4.67565240974992
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  C          -1.14917121066088     -2.32597729906370      2.68562254713370
  C          -2.40696049534775     -2.88250737089031      1.95788550357636
  C          -0.52764007739849     -3.65245962345193      3.16493620368892
  C          -0.65702425881133     -4.53784892975320      1.89018606588884
  C           3.39896690809535     -5.25958229348584      1.99580202364443
  C           3.65953222741813     -2.22026161745826      2.98395584094069
  C           3.05023892842793     -5.28196433060806     -1.14678805002701
  C           2.75955893773949     -2.21788491888809     -2.10583594430488
  C           3.14816093954245     -0.37754714442838      0.44931947373209
  H           4.45532729462770     -5.55701976049026      2.02916531078412
  H           3.07102196206393     -5.08454518641198      3.02404524111339
  H           2.83413788081423     -6.10560786433031      1.59451299130630
  H           4.07905610560991     -5.63892616611399     -1.29207178706513
  H           2.47913482102486     -6.10248494918387     -0.70190868440873
  H           2.62087251209036     -5.08209248931935     -2.13005879208857
  H           3.75666332822800     -1.99213969336585     -2.50873140653327
  H           2.29469889206948     -2.95975774397575     -2.75885200895718
  H           2.16626693902319     -1.30144982608030     -2.15806320117634
  H           4.19929864757006     -0.10464676243109      0.28216024601136
  H           2.55664937115637      0.06699240336189     -0.35270087801571
  H           2.83481496343804      0.06971749714529      1.39552259401753
  H           4.73123093765687     -1.99050182435869      3.05902916279078
  H           3.10480495628387     -1.31479936488771      3.24535791512822
  H           3.43285011425742     -2.97834204914205      3.73841081192943
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  H          -3.05239626005380     -3.48029100925507      2.61589601020169
  H          -2.99847250805138     -2.10387956254911      1.46601149185208
  H          -2.16213345792373     -4.33734877537055      0.23373058241479
  H          -1.11742494203614     -4.06980521064237      3.99011291471035
  H          -1.05504521481308     -5.53529081944867      2.10901938541255
  H           0.50539654079749     -3.53389863003489      3.50342376921817
  H           0.32658254035565     -4.77271254406350      1.39757926794693

65
AJ
  C           0.07237736878623     -1.93935669262073      0.71994426066703
  C           0.16081476329540     -0.61792221739907      0.08806228558811
  C           0.14360489025733     -0.68797480749826     -1.31685454567559
  C          -0.10348218397918     -3.02423919912385     -0.34501877472542
  C           3.80200959981341     -4.01647637317918      1.45870957631389
  C           3.53805884912068     -2.88783250448368      2.34817804452196
  C           3.74006245669633     -3.52853217815089      0.14328220371780
  C           3.46324074870067     -1.67675267031895      1.57922151915605
  C           3.49669431678682     -2.07267768856047      0.19793533464375
  Rh          1.78560270770364     -2.98707485637132      1.08526868341943
  C           0.30117009556985      0.60275888559989      0.73509679865067
  C           0.31892639349980      0.47971780661419     -2.03055284252170
  C           0.47719466978420      1.70712295860285     -1.39393670020944
  C           0.46436419073323      1.76707519738182     -0.00108346487516
  F           0.30865986504034      0.68295070773606      2.08639568519999
  F           0.61540886021147      2.94831770019762      0.61335510454448
  F           0.62289239935037      2.83968911982668     -2.09294514096130
  F           0.30532526204403      0.47215833736703     -3.37583257890113
  B          -0.05207736529382     -2.21881715674249     -1.83371825335099
  C          -1.41141427405725     -2.54931318472518     -2.67188022399252
  C          -2.48091121398414     -1.68493489754785     -2.87738301009632
  C          -1.56769105226412     -3.81831115219784     -3.22713354489704
  C          -3.61115690284182     -2.02695484615078     -3.61266985823001
  C          -2.67567622893857     -4.20522351241763     -3.96714917883808
  C          -3.70729245603764     -3.29598320370304     -4.16421640968588
  F          -0.61998974718539     -4.75824126935364     -3.02574734810650
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  F          -4.78666404461695     -3.64470239592046     -4.87167958681586
  F          -2.77365036480079     -5.44081141639520     -4.47772585717136
  C          -1.31739859649794     -3.83818589689863      0.17903754480313
  C          -0.94334612020886     -2.29232811290700      1.79663668134179
  C          -2.12560919589746     -2.74834777215214      0.91286554956304
  C          -0.46286402527570     -3.64418530202968      2.41425371147787
  C          -0.87636582045169     -4.71222181373014      1.36275421309043
  C           4.05006245564223     -5.41845033090308      1.90579808793840
  C           3.51087912982218     -2.97422560031023      3.83575817802144
  C           3.90126737772027     -4.28422552048907     -1.12980669409912
  C           3.51479224388009     -1.16291628778179     -0.97651222239174
  C           3.42083277440620     -0.28263982737464      2.09978184244188
  H           5.06009397736474     -5.52173707444231      2.32234028314002
  H           3.34514868294328     -5.72752712735977      2.68372419809845
  H           3.95803282374914     -6.12260210810352      1.07623635407741
  H           4.91664465029409     -4.13951387786007     -1.52226384476051
  H           3.74181448080074     -5.35557264522806     -0.98934510710615
  H           3.19823331865866     -3.92629277785511     -1.88782594106124
  H           4.55472119219450     -0.98981285067647     -1.28690863088384
  H           2.96727551887787     -1.58698425832344     -1.82207382107295
  H           3.06725417223504     -0.19579409175307     -0.73569041350814
  H           4.44041632012008      0.10895195752933      2.21273065058785
  H           2.88517409538538      0.37991616215334      1.41577010950803
  H           2.92635572821460     -0.22760626689502      3.07182018059811
  H           4.53247125850092     -2.89902926278725      4.23139792090044
  H           2.92250002790779     -2.16454012154616      4.27369166693605
  H           3.09767062419409     -3.92762012817419      4.17568223014641
  H          -1.13847657754656     -1.50365213991699      2.52524042257801
  H          -2.97244272562932     -3.14989832502581      1.48310306547371
  H          -2.47493247957861     -1.94787413279652      0.25220347190963
  H          -1.83958702581644     -4.38696192761480     -0.60741175132875
  H          -0.90715684996788     -3.82523361640395      3.39903982524527
  H          -1.71856325464269     -5.30972157106852      1.73010554930691
  H           0.63837196136508     -3.65078576786337      2.64627806012030
  F           1.08876483279987     -2.64007557019959     -2.58748328276426
  H          -0.06541026958229     -5.40063164099579      1.10224977573186
  H           0.79214036365885     -3.73576264642668     -0.45438893841091

65
G-T
  C          -0.71208673562087     -0.58417541798549      2.25926260398048
  C          -0.96884423721031      0.55873843633536      1.39545248600845
  C          -1.01158632547103      0.19740366524451      0.01118822484781
  C          -0.63317810175630     -1.87043702230573      1.44395933468927
  C           2.86854258579521     -0.39768565214772      1.10864979306353
  C           3.20321529597516      0.14954470224732      2.41221509699403
  C           2.48855457542924      0.67887872444684      0.28534404982161
  C           3.11653871760806      1.60013799651437      2.33435255839672
  C           2.62824140154174      1.92009569346726      1.04361381831715
  Rh          1.10721404169583      0.66561847975204      2.23576202889459
  C          -1.07727190617154      1.91482946284077      1.80409579823200
  C          -1.10497076610768      1.20201027062431     -0.90607770180234
  C          -1.14889364993325      2.55610322014615     -0.52129757952083
  C          -1.15413155146057      2.90743535211512      0.81446443091973
  F          -1.43030925760917      2.28292595803143      3.04992745909807
  F          -1.24404127812906      4.19424232417331      1.16833513578620
  F          -1.22609065684751      3.51451785200109     -1.44630003159035
  F          -1.19188057018072      0.94765987637762     -2.22189608800224
  B          -1.00020838800931     -1.43613060633484     -0.13367216452219
  C          -2.43026358660019     -2.07182669485778     -0.61719306632485
  C          -3.64409017488956     -1.40281243064789     -0.71663640019135
  C          -2.48460611921519     -3.42847289946048     -0.93362992969526
  C          -4.82723720661854     -2.00762506565268     -1.12545045121183
  C          -3.63999282582291     -4.07621166289689     -1.35001304681088
  C          -4.82335882848819     -3.35631423958241     -1.44916620789063
  F          -1.37961431105947     -4.19060625697940     -0.81551287811644
  F          -3.73854427764285     -0.09158202744141     -0.38960682190228
  F          -5.96778777144121     -1.30819366746563     -1.20384275678197
  F          -5.94971337329494     -3.96014923356275     -1.84155552885571
  F          -3.63373737154247     -5.38396893382823     -1.64209484887742
  C          -1.55156048424807     -2.80614902846326      2.29787250296010
  C          -1.54255014606084     -0.89493351225309      3.51744496361287
  C          -2.59993291995171     -1.79862514705011      2.82156181781813
  C          -0.77349921298742     -1.94529966228745      4.30456572627217
  C          -0.77645899879353     -3.07039674859914      3.58083474756736
  C           2.95753638171043     -1.83019437792016      0.71105207074560
  C           3.81474649291066     -0.61892074707657      3.53543120288111
  C           2.15070936759707      0.60951008644389     -1.16258500440064
  C           2.40180950669441      3.28076008985786      0.48143355579201
  C           3.56790709700945      2.55740790771684      3.38776516894060
  F           0.02646457075692     -1.84761969730887     -1.03698405305962
  H           0.38498339342371     -2.27602885335981      1.42283858688852
  H           3.96294920554300     -2.05937006201769      0.33372058910781
  H           2.76835844529276     -2.49354713165136      1.56009405205207
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  H           1.47572448452520      3.32703167426179     -0.10131148690228
  H           2.34704741882642      4.03882185675484      1.26553048312291
  H           4.63122489181968      2.79103274668111      3.24852034148358
  H           3.00844397397013      3.49441942791818      3.34680082743921
  H           3.44542287412755      2.13815534997720      4.38840999075189
  H           4.90089530282627     -0.68661640737812      3.39029037628508
  H           3.63272317291847     -0.13726002124959      4.49851104905357
  H           3.41825244043511     -1.63567511621925      3.58242298425264
  H           0.71741968768523      1.33762049516298      3.57403356571744
  H          -1.90057786255006     -0.02369847823882      4.06602416483306
  H          -3.29549869014786     -2.23372658214928      3.54477474983989
  H          -3.14940432481084     -1.28834834405615      2.02340018854364
  H          -0.24451327094769     -1.75102931152838      5.23139011981514
  H          -0.24037924109983     -3.98825495141303      3.79927882586794
  H          -1.92248626834974     -3.68494621354432      1.76871501125720
  H           0.85274502534252     -0.38827105358886      3.34983573334669

65
T
  C          -0.69312841730277     -0.56357813820143      2.25545713137059
  C          -0.96619534419047      0.57233494637850      1.38582754522623
  C          -0.98810245237395      0.20395303432746      0.00215992106066
  C          -0.60264399823595     -1.85300482746226      1.44706289549763
  C           2.86716581230130     -0.40304032684171      1.09858669678774
  C           3.20986520528203      0.13744421744080      2.39797410738374
  C           2.48541983938743      0.67997469104889      0.28167635097240
  C           3.12854098708909      1.59103066001277      2.32688695399286
  C           2.63817135850383      1.91904013780459      1.04030433646655
  Rh          1.10833221702774      0.67629901423809      2.23747204393053
  C          -1.11588875386490      1.92779209986120      1.78006273359550
  C          -1.08789698250274      1.20099643364376     -0.92375324768790
  C          -1.16658378981693      2.55432351712130     -0.54799206168294
  C          -1.19923592272736      2.91282153390964      0.78739794383297
  F          -1.46180302660344      2.29771210227705      3.02551758541014
  F          -1.32163296383896      4.19941786912414      1.13147459489894
  F          -1.25390388158326      3.50641327236575     -1.47763735281394
  F          -1.15436167856227      0.93536453932052     -2.23870638746302
  B          -0.97415687895522     -1.43025738740113     -0.13164162550605
  C          -2.41166327218589     -2.06094362924157     -0.60256585648168
  C          -3.62392183530128     -1.38782924419079     -0.69321607359042
  C          -2.47300728334234     -3.41727218019896     -0.91937259653094
  C          -4.81165790852275     -1.98762507659295     -1.09581046479864
  C          -3.63338608407718     -4.06012737485972     -1.32963917518340
  C          -4.81464985174956     -3.33588118576364     -1.42124860383770
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  F          -5.94995564097737     -1.28369741527835     -1.16646959263342
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  F          -3.63350673236435     -5.36748454565534     -1.62332406330142
  C          -1.50808902092827     -2.79537296660894      2.30795312777523
  C          -1.51280896464912     -0.87855851004391      3.51793819178875
  C          -2.56477201652961     -1.79815563309460      2.83453107490861
  C          -0.72685745147330     -1.91661856694726      4.30503007396562
  C          -0.72302592722035     -3.04577024801553      3.58793322195502
  C           2.95806675619991     -1.83273309333754      0.69148030896693
  C           3.82424550680322     -0.63739735972283      3.51522594919320
  C           2.14942945779889      0.61523036421987     -1.16681740796261
  C           2.41425486136741      3.28233932918356      0.48208325717137
  C           3.59045604319014      2.53910812246220      3.38401507065939
  F           0.04271144895618     -1.85126728044585     -1.04079538482365
  H           0.41925128117465     -2.24908598501015      1.42780210705082
  H           3.96300167940097     -2.05677241551794      0.30955788918205
  H           2.77379391051031     -2.50228500626034      1.53673472816092
  H           2.23333545401415     -2.06760009031676     -0.09247144780543
  H           3.08339040880288      0.62191787689994     -1.74568345708696
  H           1.59514433049553     -0.29094395170306     -1.42060111554277
  H           1.56607995945303      1.48115375719613     -1.48910515300386
  H           3.22486900938374      3.55131812049156     -0.20770766306638
  H           1.48070415006278      3.33526257475032     -0.08845337640617
  H           2.37299636892089      4.03891452713607      1.26848516840925
  H           4.65907460789667      2.75263680359985      3.25328772592121
  H           3.04906501420989      3.48647983513542      3.33931859878547
  H           3.45267007576372      2.12210937792521      4.38372362919129
  H           4.90749108015023     -0.71855154996757      3.35591124008663
  H           3.66126278004100     -0.15226282038311      4.47989794667307
  H           3.41597848021449     -1.64918651680268      3.56810502467685
  H           0.70084560770987      1.41492446618769      3.53380130935654
  H          -1.87826899105719     -0.01014330293069      4.06636505939487
  H          -3.25004030197296     -2.23913707093677      3.56403944015693
  H          -3.12586264694636     -1.29767858895597      2.03828557996368
  H          -0.19482236978087     -1.71257333575964      5.22805768134949
  H          -0.17642825214597     -3.95705220573675      3.80780739482933
  H          -1.87191801651645     -3.68029262026460      1.78388628345459
  H           0.92585324709193     -0.26276744045591      3.45665353745402

65
T-U
  C          -1.37494616475333     -0.19032314816923      2.41385423525992
  C          -1.82557693571135      1.05369230880999      1.84618749207468
  C          -1.43550974543348      1.11508053109624      0.46582808284119
  C          -0.65719347638608     -0.99303575151053      1.47144025431481
  C           3.17086928219341     -1.20383871999155      1.28230737999687
  C           3.09194925922430     -0.43663157111493      2.40332465189535
  C           2.81718643189650     -0.37500313717336      0.12821451149024
  C           2.66173317576175      0.95235984732286      1.99910794803829
  C           2.53568887198117      0.91820863069810      0.54091278332389
  Rh          0.49772605889425      0.89344725132437      1.99734309568463
  C          -2.51323724123446      2.11795981335190      2.45736408790468
  C          -1.69608833519520      2.29472267836887     -0.22294274993305
  C          -2.38196944225840      3.33547618024025      0.37822228371732
  C          -2.79889393503562      3.24265367097848      1.71989494229288
  F          -2.86860915199363      2.05398927099516      3.74541674114030
  F          -3.43846015054240      4.27589298072547      2.26786106634210
  F          -2.67860463876526      4.44385418618672     -0.29731667571079
  F          -1.36408839183753      2.41829517278435     -1.51449973055693
  B          -0.98229284309233     -0.39445004130553     -0.04832458655536
  C          -2.22504466359602     -1.27898097043845     -0.65841043205821
  C          -3.56680537507533     -0.91841832856356     -0.68962563328700
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  C          -2.91148585083814     -3.40176069304005     -1.67486228163312
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  F          -2.58615292323615     -4.61308482437664     -2.14289543913653
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  C          -1.81585088327929     -1.06613918145832      3.58309330090388
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  C          -0.56837162779130     -1.60999739309272      4.27139076763789
  C           0.06324744663988     -2.40658744581917      3.40538878773440
  C           3.43927218396376     -2.66742330614579      1.17195694362105
  C           3.38064580391900     -0.79829311952478      3.81841355399719
  C           2.88521553377892     -0.87236226953496     -1.26808387454202
  C           2.38886709658146      2.10844992185668     -0.36176849542312
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  H           4.23976723706521     -2.87554080869370      0.45225445935578
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  H           1.68505062550277      1.90493189344083     -1.17504906557730
  H           2.01776005750443      2.98111706280841      0.18149470133542
  H           4.43209399557608      1.99843310508233      2.56885291074766
  H           3.03934013949576      3.06705678059087      2.29520026902045
  H           3.13504473080886      2.10028210529576      3.77299612500815
  H           4.26242912103277     -0.25604304285196      4.18548640525846
  H           2.54378983357657     -0.53228190940688      4.47420690974182
  H           3.57766389382337     -1.86690711113848      3.93455242163956
  H           0.83331775098361      2.42559746522531      2.19180658111801
  H          -2.59128093778650     -0.64861273260099      4.22500602789560
  H          -2.45836431161547     -3.18201179339593      3.30077307527080
  H          -2.93191119175544     -2.10578114484660      1.93863965751544
  H          -0.24717588997058     -1.31402902213955      5.26281019250197
  H           1.01556204279780     -2.90601498813559      3.54382543972509
  H          -0.52110879810472     -3.22999652056591      1.41448279580642
  H           0.46251577232519      1.24634504175446      3.48881328254622

65
T-V
  C          -0.66725808672742     -0.49441598260784      2.21360699653000
  C          -1.03834883252996      0.61095424013395      1.32616966966875
  C          -0.99570292800927      0.23126351892341     -0.05395874549695
  C          -0.52997884192922     -1.78909931464042      1.41389322956564
  C           2.77788469984284     -0.45710964200109      1.08554803546902
  C           3.09534801374732     -0.01838338958245      2.40125905115681
  C           2.50200084643661      0.70403964455546      0.29485404584829
  C           3.10797013867675      1.44859177844917      2.39829585695417
  C           2.74204150378606      1.88481659865639      1.09060258239781
  Rh          1.05275004033168      0.80492483535635      2.14597059515285
  C          -1.39381579101008      1.93561297306706      1.68068197033904
  C          -1.17177809926792      1.20188914471767     -1.00256263248597
  C          -1.44524238218176      2.52873902653580     -0.64988187018302
  C          -1.57893939967891      2.88933710023622      0.68547508824059
  F          -1.70535345130941      2.28765627908642      2.93772579269154
  F          -1.87961225425934      4.15198229792425      1.00602152362882
  F          -1.62674342840592      3.45651014745242     -1.58759659510749
  F          -1.16616766521944      0.90784597741196     -2.31375430274852
  B          -0.92498534594019     -1.40039563226905     -0.16403830318147
  C          -2.36643497358373     -2.06150011967127     -0.59277484749915
  C          -3.59842611834559     -1.42115606420613     -0.64323374946888
  C          -2.40437644354006     -3.42058576017052     -0.90267339346525
  C          -4.78358306992173     -2.05204095857325     -1.00383121038881
  C          -3.56144527342276     -4.09401413271594     -1.27116039855157
  C          -4.76356680066770     -3.40108319715823     -1.32460754739297
  F          -1.28104135253899     -4.16023909584087     -0.82621242747789
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  F          -3.53820427466480     -5.40227241055454     -1.55966030931231
  C          -1.37827499188501     -2.76689276468567      2.29748643964549
  C          -1.44523845381956     -0.84590364296974      3.49172387706359
  C          -2.46840412446869     -1.82148349045348      2.84782667528532
  C          -0.58335181734754     -1.83602013395899      4.26303806104800
  C          -0.54976979417936     -2.97192703082516      3.55875623744544
  C           2.84462182581299     -1.85886791949008      0.59016135686740
  C           3.52851418580141     -0.89372544616720      3.52816511368019
  C           2.19338546121109      0.70387289533978     -1.16070738700475
  C           2.69727837958996      3.28989600399031      0.58734345112973
  C           3.59882690304716      2.30386165267516      3.51929818028187
  F           0.07112580791175     -1.81345943075224     -1.09753438659184
  H           0.50136796628344     -2.15192013410101      1.39529258584134
  H           3.84258785869424     -2.04668670076126      0.17076059602290
  H           2.69298785854442     -2.57995318851931      1.39825174721995
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  H           3.13713793513303      0.71650168122131     -1.72383069122888
  H           1.62824075605024     -0.18242533730512     -1.45657224109148
  H           1.62905713960049      1.59262163161171     -1.45520692645583
  H           3.61755223653520      3.53767514183463      0.04234442733221
  H           1.86011534170020      3.44259242009168     -0.10027678218239
  H           2.58900768159593      4.00458586764321      1.40626662524766
  H           4.69274203346113      2.38073207571700      3.47478309255589
  H           3.18769005460757      3.31418285042891      3.46557158921537
  H           3.33524862460018      1.88324955713017      4.49238564335594
  H           4.58807442742007     -1.15958989840764      3.41638449335508
  H           3.40674106337396     -0.39720174443131      4.49311091235994
  H           2.94829885768008     -1.82003979629599      3.55019038950531
  H           0.60160609205667      1.86398916868188      3.20718672882051
  H          -1.84128921658083      0.00386476048911      4.04919168806320
  H          -3.10934328482629     -2.29404738421283      3.59798314129663
  H          -3.07618668830366     -1.35372872193742      2.06619889183095
  H          -0.02315544470694     -1.59364430610281      5.15965015824867
  H           0.04704198140696     -3.85395649420421      3.76794915525087
  H          -1.71085221048681     -3.67094290396924      1.78490843259356
  H           0.67915615909521      0.69321737852748      3.66874175717459

65
V
  C          -0.68489689946704     -0.57853200861543      2.16257309135443
  C          -0.98528801726601      0.54430210943117      1.30544356962510
  C          -1.07810634674022      0.18209651283965     -0.07550413862801
  C          -0.62053311479467     -1.86772642028127      1.35518208933166
  C           2.76360819474663     -0.38152086190352      1.15826541398838
  C           3.14389329150356      0.11054888950942      2.43503199440704
  C           2.38780244869426      0.75180371663086      0.35620338537526
  C           3.11613205924198      1.58188330603202      2.38526185343146
  C           2.67200927205613      1.96835771669037      1.10279911112048
  Rh          1.05330672482899      0.78106172931606      2.17440289894730
  C          -0.95881184318019      1.91028722993807      1.72487244301244
  C          -1.14742842823908      1.19100194994897     -0.98436442405240
  C          -1.07870987678791      2.55444821447375     -0.60403209156840
  C          -1.01417084112399      2.90827839428052      0.72025759069206
  F          -1.40627746559250      2.29942262619094      2.95450336850497
  F          -1.00696653305237      4.19881958553474      1.07832135823621
  F          -1.09986039086853      3.50792877727573     -1.54149466834626
  F          -1.27925578857652      0.95057691861130     -2.29903095140050
  B          -1.05777845731397     -1.45310098282309     -0.21006625004251
  C          -2.47998554840077     -2.13082705845196     -0.64738914454791
  C          -3.70897399292899     -1.48848060809215     -0.73568179001176
  C          -2.51184394960491     -3.49478600123128     -0.93264453776425
  C          -4.88752513124800     -2.12812004969395     -1.10397035000462
  C          -3.66145617351792     -4.17656150280229     -1.30757070988416
  C          -4.86181713872184     -3.48376812142510     -1.39610972387815
  F          -1.38623324310797     -4.22904211951805     -0.82578183677892
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  F          -3.63389823734559     -5.49051359886460     -1.57137475689483
  C          -1.47247111170011     -2.81995218540869      2.26212251887643
  C          -1.43589893294523     -0.90244152937400      3.46652096907277
  C          -2.51178714377680     -1.83471655276171      2.84021414354479
  C          -0.59671419578404     -1.92987158371030      4.21334942966924
  C          -0.62049080427201     -3.06064846628907      3.49959426310274
  C           2.81578723686878     -1.79357527739084      0.69533317920718
  C           3.66859395945029     -0.70919464305535      3.56588104636153
  C           2.04522985216636      0.70345924163780     -1.08978951817274
  C           2.53803856369014      3.34987846448514      0.56134472845214
  C           3.59471286119574      2.48123827600746      3.47617787292387
  F          -0.04321888640184     -1.84342556137793     -1.14399998650579
  H           0.39863748077291     -2.26235865002155      1.29385866680259
  H           3.81339431060783     -2.00620781191187      0.28761978904609
  H           2.64057051029369     -2.49466064980028      1.51630011065935
  H           2.08156702601217     -1.98891353467972     -0.09080583516070
  H           2.98029428815010      0.64704809463235     -1.66487329271798
  H           1.43737185623241     -0.16838521980566     -1.34246173041152
  H           1.51971093876929      1.60455337540540     -1.41422126861769
  H           3.38256272653827      3.58580544339496     -0.09886737539880
  H           1.62479073951344      3.45862072344498     -0.03214978531069
  H           2.51180483560727      4.09650536092360      1.35797933103717
  H           4.67992174781977      2.62271594566064      3.39258340357044
  H           3.12286048367959      3.46497107814744      3.42454498692870
  H           3.39539289646071      2.06035268490505      4.46453764640440
  H           4.74860833506466     -0.86861968060931      3.44861713121980
  H           3.50957594089733     -0.22128460474676      4.53043896990184
  H           3.18499977891228     -1.68857725337831      3.59725285502291
  H           0.64009963165227      1.41510369689206      3.69470077754800
  H          -1.79205236619171     -0.03899557187236      4.03085516477945
  H          -3.15486928946162     -2.28131765252327      3.60459438107309
  H          -3.11520471011011     -1.33976910631465      2.07145824733627
  H          -0.01129670780369     -1.72142942577174      5.10295815490042
  H          -0.05234952763548     -3.96531035888975      3.69097844372831
  H          -1.85185986200556     -3.70949485408181      1.75727099107689
  H           0.66765649744517      0.54780346905839      3.81307515042266

65
V-W
  C          -0.53273392193290      0.21783093122593      1.99294913310744
  C          -1.37644351804175      1.26404426434162      1.36680811738433
  C          -2.15844817503815      0.79918104680418      0.28550758707746
  C          -0.84656892049168     -1.11663297745104      1.27820840096763
  C           3.48989786236981     -0.85693276879151      0.99575952708292
  C           3.19878033432596     -0.75273227741748      2.42141997977002
  C           3.37671969257094      0.42450017602243      0.42274820988148
  C           2.88722504004002      0.59272219097781      2.71720352244950
  C           2.91325543561560      1.33545474429904      1.47066559382915
  Rh          1.34461154568403     -0.03833715290521      1.16898982237103
  C          -1.41016293948728      2.60094334998067      1.72130008737521
  C          -2.89741055532891      1.71425182174605     -0.44558197175404
  C          -2.92866862024247      3.05932284697747     -0.09445586630668
  C          -2.18302888045651      3.49989194034495      0.99700672693078
  F          -0.65605373313211      3.07333988897928      2.73974776100803
  F          -2.20341498707454      4.79535712848508      1.32666439633172
  F          -3.65261915342666      3.94125615244225     -0.79470531831227
  F          -3.59737510407976      1.33733115357632     -1.52769154636749
  B          -1.85975964865678     -0.73038962689325      0.07787865487317
  C          -2.84393005506368     -1.82153611730703     -0.49848724069552
  C          -4.23166353591031     -1.68841911892427     -0.46628984626764
  C          -2.36934334796887     -3.04671334004278     -0.96922938027114
  C          -5.09689673230192     -2.67714822191246     -0.91949143177507
  C          -3.19790391075897     -4.05296047392848     -1.44218004171778
  C          -4.57465431258308     -3.86303102025952     -1.41734128759384
  F          -1.04714407316964     -3.29575021758662     -0.97068771987988
  F          -4.79723406458016     -0.58692780924558      0.05011503791516
  F          -6.42143094505189     -2.50512819653095     -0.87104894995321
  F          -5.38992315365748     -4.82211134907701     -1.85704852033182
  F          -2.69471133813043     -5.20352226522887     -1.90273832416631
  C          -1.39285932257027     -2.01014859542521      2.45516059596264
  C          -0.86727103240377     -0.07081173832631      3.49046675803160
  C          -2.14398869413520     -0.93627849605091      3.28046520221290
  C           0.08351376619694     -1.14042385398459      3.99084327005776
  C          -0.22835996967932     -2.28793452439570      3.38050193184378
  C           3.92907635708386     -2.11087927763743      0.31553185227184
  C           3.37255542866686     -1.88799530763086      3.37273184930162
  C           3.70887467974757      0.81753076081266     -0.97858459777477
  C           2.79454378156476      2.81827882440544      1.35876883585243
  C           2.63812965084993      1.22153313566345      4.04811913147660
  F          -0.60627433995357     -0.57679097316506     -1.34373098737438
  H           0.06539952959620     -1.64087724145817      0.84102735609625
  H           4.99782997752288     -2.29307216203787      0.49149137727639
  H           3.38300575747115     -2.98124614516278      0.69059195492539
  H           3.77325480620011     -2.05604372286626     -0.76417618615294
  H           4.76158583589056      1.12199092559172     -1.04533586431007
  H           3.55252123902934     -0.00793458823410     -1.67716901719170
  H           3.09721230089277      1.65863491430134     -1.31217826407637
  H           3.75947083191298      3.29633631282614      1.57859065226288
  H           2.49068026163215      3.12012507206328      0.35387287092574
  H           2.05443419519226      3.20676337108119      2.06284832351488
  H           3.43421850462401      1.94185865265248      4.27522124167448
  H           1.68857226306186      1.76602228795081      4.06222936227951
  H           2.62228384261309      0.48475570343709      4.85312988003253
  H           4.42936515331689     -2.18270860548879      3.41177588658622
  H           3.06134849228838     -1.62854719368342      4.38559888400921
  H           2.80054970019104     -2.76669187557063      3.05975595618814
  H           0.12397681792359     -0.09599388631935     -0.81199687336559
  H          -0.97029325869407      0.82150864359842      4.11078153220649
  H          -2.54800642346987     -1.32997992231824      4.21832177271619
  H          -2.92956723926326     -0.42033048483048      2.71699335898500
  H           0.90621407424761     -0.96336265326400      4.66974154121019
  H           0.29713160355080     -3.23475475242597      3.44444415978815
  H          -1.96229562711819     -2.87762373069331      2.11301630844204
  H           0.73323677197949      0.74604942388440     -0.08621816884742

65
W
  C          -0.58541309538835      0.26893726542516      2.09565593477088
  C          -1.43162231955264      1.28354556586810      1.43171090925834
  C          -2.23576896165044      0.76586355966958      0.37821180860337
  C          -0.93134884461987     -1.09259467005426      1.44103145608836
  C           3.36297953447613     -0.88718848236599      0.93183344975945
  C           3.20723283533942     -0.80577452847563      2.38259268757334
  C           3.26133653051606      0.41204417240515      0.39237182353158
  C           2.96052753612169      0.53416015144837      2.72483748482975
  C           2.90224005341680      1.30625101298211      1.49006456280504
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  C          -2.93975162425311      3.01691841892925     -0.15804168201852
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  H           0.61847798866157      0.81502362060118      0.07324412270756

63
X
  C          -0.55550185637495     -0.58311412594590      2.02919573201088
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  Rh          1.08632879582872      0.73155259692341      1.95633758159662
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  C          -1.34905425187327      1.25506098486035     -1.02189152640975
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  C          -0.46388924345029     -3.10074307496961      3.31320013892493
  C           2.87725849550073     -1.82498675315661      0.81734633926266
  C           3.50764354421766     -0.63832267203128      3.74447313043139
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  H           2.64188556001384      4.10040415133574      1.28571849274845
  H           4.42483650260453      2.51010068655249      3.81738658149414
  H           3.05406793577838      3.53559578991678      3.35368456071794
  H           2.81961766610669      2.17914106554091      4.46800421987816
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  H          -1.93176201237313     -3.63975484915138      1.72226977948928

63
Y
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  C           3.62810695941694     -1.62895523096760      1.66647396571456
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  C           2.30571429773832      1.91696082304058      1.40869901135276
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  H           0.90140011437918     -2.38082040359552     -0.42759609774030

63
Y-AA
  C          -0.65000177392077     -0.76476481526052      0.53962536260618
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  C          -0.65760811689156      0.58159310306385     -2.84090536225650
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  H          -1.18269692974369     -4.04859878157361      0.71126924120929
  H           1.25050664431556     -2.73644892395669      0.11312811924232

63
Y-Z
  C          -0.76055527767462     -0.61862434963933      0.76317196265148
  C          -0.88012853861820      0.39439583196286     -0.28937524925676
  C          -0.82806452881905     -0.21339041921653     -1.57237841616821
  C          -0.68135302806439     -1.92697447754245      0.18445557136517
  C           3.28766688375033     -1.62084997096804      0.04534850999077
  C           3.44037019646641     -1.76473883279879      1.45409603104176
  C           2.78887029185632     -0.27898140898930     -0.20288338812108
  C           3.08794844150810     -0.50640972210792      2.07627545774524
  C           2.71687410652011      0.41505306949486      1.05299700912970
  Rh          1.25985688063191     -1.34544173115879      1.04628352290150
  C          -0.96847570335288      1.76822448215704     -0.16546720549498
  C          -0.81767293989281      0.60390816702201     -2.67857619459055
  C          -0.90512333050042      1.99302919620270     -2.56359335464501
  C          -0.98642648886027      2.57278557828589     -1.30280003606161
  F          -1.02618812455813      2.35855962156068      1.04680420371146
  F          -1.07230212693173      3.90302948692176     -1.18823867354708
  F          -0.91603827871878      2.77409424158569     -3.65039753475562
  F          -0.73049132972432      0.08759347074985     -3.91808043429673
  B          -0.74984180131834     -1.81935269263835     -1.40942344637232
  C          -1.72829095791911     -2.81444222893047     -2.18370993494554
  C          -2.86800214784938     -2.41944730996954     -2.88164770233873
  C          -1.52260046412210     -4.19334199348572     -2.11515170019588
  C          -3.72860469289802     -3.31894585963881     -3.50125431225466
  C          -2.35243116065000     -5.12364701138735     -2.72311906936299
  C          -3.46691714642105     -4.67954298221704     -3.42342294608099
  F          -0.47277361651050     -4.68102203104840     -1.42363960075273
  F          -3.20102438190550     -1.12135662625581     -2.97238935637073
  F          -4.80823422256011     -2.89000952973282     -4.16377901035077
  F          -4.28536256156501     -5.55675031296911     -4.00787840626598
  F          -2.10193435606212     -6.43536975637610     -2.63416553242046
  C          -1.13765126309909     -2.89083963046264      1.27839043810936
  C          -1.27004377749355     -0.80678728031980      2.19593085880597
  C          -2.19893691909917     -2.03468187312985      2.01750533304331
  C          -0.00613779155397     -1.47049459461827      2.77550347048604
  C           0.08162452970091     -2.76144089339513      2.20542285639778
  C           3.75826154783422     -2.59212376223048     -0.98943182791334
  C           3.98432323876818     -2.96040702654405      2.16357404497954
  C           2.60623353380215      0.35793029239342     -1.53999501310132
  C           2.37149657295481      1.85613520138290      1.22721126058474
  C           3.21596984566264     -0.20836477833144      3.53320769562883
  F           0.76080668544494     -2.28719116497507     -1.78086546214724
  H           4.84217899143666     -2.48657510475290     -1.13018463605406
  H           3.55990829298341     -3.62656054405487     -0.69679124535943
  H           3.27992042083794     -2.41987762992626     -1.95509833851947
  H           3.54410622789945      0.82764510236274     -1.86505465734570
  H           2.30844476848989     -0.36607945688712     -2.30088169438005
  H           1.83945932212107      1.13606947107678     -1.50597789797268
  H           3.26464006372955      2.48422918217751      1.11132535875922
  H           1.64383446078718      2.18294712673200      0.47976769568662
  H           1.94635395519452      2.05708253590835      2.21372453757709
  H           4.24549160489697      0.08825982430916      3.77223272272494
  H           2.55699729811688      0.60862860165005      3.83815615694730
  H           2.98103059979057     -1.08342380444432      4.14667241419910
  H           5.06676803826530     -2.86102013683723      2.32026011014213
  H           3.52367691441201     -3.09151324411079      3.14735060781746
  H           3.81324803209792     -3.87429769520194      1.58930742789157
  H          -1.65052832518218      0.06774204589389      2.72260650470370
  H          -2.51131805900500     -2.47276805062421      2.97371722376608
  H          -3.07375172988483     -1.81543051062108      1.39321018899370
  H           0.50692743303203     -1.12287415968804      3.66526078319223
  H           0.65510965574047     -3.59909179546814      2.58536666423089
  H          -1.41282239225042     -3.89867764841617      0.96915980048083
  H           1.05350062833221     -2.19295549771957     -0.66558014624285

63
Z
  C          -0.72458840178762     -0.64449504769044      0.89744046771829
  C          -0.93180808832839      0.43523377134491     -0.07168035895775
  C          -1.08242345983178     -0.10425086737403     -1.38293286305288
  C          -0.71430844174780     -1.93237637129310      0.21702782212202
  C           3.31968358561669     -1.75785580714929      0.11412512710587
  C           3.41405460098538     -1.71769320808553      1.53511746898104
  C           2.82708128329170     -0.46545396622063     -0.31951052899047
  C           3.04634004783139     -0.39018922244295      1.98256403036136
  C           2.71269602061653      0.38424153902429      0.83312797461746
  Rh          1.25776048594303     -1.35640844900359      1.05679029924582
  C          -0.92740252273292      1.79920826696296      0.12782114459839
  C          -1.12593752708411      0.77158891008837     -2.45118937802183
  C          -1.09985354467478      2.15351053214353     -2.25416952677216
  C          -1.01528435524726      2.66371506554191     -0.96352149357893
  F          -0.80932377111801      2.32696573327792      1.36219010228460
  F          -0.99641448485811      3.98610934891072     -0.77652865900627
  F          -1.15746257680653      2.99528583703498     -3.29257213091578
  F          -1.19052117277734      0.33248231009710     -3.71600559626650
  B          -1.16524727063309     -1.66966080709703     -1.23410326687668
  C          -1.90575674798999     -2.68997927972238     -2.15383525165404
  C          -2.97637945699788     -2.32433434504363     -2.97755223676415
  C          -1.60639935586915     -4.05810413041730     -2.13464722959475
  C          -3.67030506912749     -3.23086564622657     -3.76680310102860
  C          -2.26616924555234     -4.98926595351017     -2.92145427615821
  C          -3.30743838845691     -4.57113604051650     -3.74174369960247
  F          -0.63456670564838     -4.52937462757813     -1.34035421223891
  F          -3.41093358988966     -1.05736532779714     -3.00140984297440
  F          -4.69231044993226     -2.83636469793429     -4.53165235177687
  F          -3.96513353143743     -5.45599393122847     -4.48866229333429
  F          -1.92756080694713     -6.28205650382728     -2.88918549713658
  C          -1.08841449304568     -2.94503433775731      1.30816335432797
  C          -1.20307922869799     -0.90989770423728      2.32905605048438
  C          -2.12773633684329     -2.13524075564430      2.12626695360305
  C           0.08481128623441     -1.58092425310924      2.83566970516358
  C           0.16274923448289     -2.83813693738222      2.19574894991563
  C           3.84081456809440     -2.86628841739806     -0.74510427953487
  C           3.92285998256511     -2.81594624879624      2.40970386167054
  C           2.68320371337816      0.02675961857090     -1.72307594336934
  C           2.39227166803457      1.83920810930889      0.80244988409619
  C           3.14440099348036      0.11335026022361      3.38433919615323
  F           1.14196060034080     -2.61695181615672     -2.15845456148568
  H           4.93802398164934     -2.88292037721194     -0.70144648292059
  H           3.48305972036034     -3.84520109939987     -0.41292264462488
  H           3.54514774603287     -2.74597404533860     -1.78734843769922
  H           3.51552789789434      0.69873189764489     -1.97047468489761
  H           2.66883658635934     -0.78895278038909     -2.44536444191262
  H           1.75490308797799      0.59396039508512     -1.84903640984012
  H           3.30656180215782      2.42761343904834      0.64669877628935
  H           1.70984724526727      2.07960621799342     -0.01744374988099
  H           1.93108270306849      2.17504011409209      1.73401648205181
  H           4.14149728720116      0.53461718605446      3.56862946290302
  H           2.40999911654235      0.89891061268098      3.58263675953666
  H           2.99199257127328     -0.68717683453370      4.11361517847557
  H           4.99858101038999     -2.69838804377424      2.59656227399847
  H           3.42147133372853     -2.82166567899285      3.38252976443983
  H           3.77023622616940     -3.79386674975609      1.94607438275338
  H          -1.57422605978551     -0.06031724896248      2.90186083733157
  H          -2.39948935745534     -2.61834570658538      3.07343225308875
  H          -3.02773429319272     -1.89829710654741      1.54554877724032
  H           0.62390428615239     -1.26883147584797      3.72316054420353
  H           0.76764949084893     -3.68343167017811      2.50408983783619
  H          -1.36743395574347     -3.94595507487962      0.98290646364623
  H           1.07905052627109     -2.47497657209210     -1.22322875537568
50
CpSRh_CFact_HC6F52
  Rh         -1.49651279143846      0.78837197338348     -0.51701160167687
  C          -2.89773717827646     -0.79057466661684     -1.36676954791458
  C          -2.06165753530680     -0.14892309050596     -2.36908442389454
  C          -3.64362652807432      0.22286778922115     -0.73471324786254
  C          -2.43104347493104      1.25059775547973     -2.46130850557723
  C          -3.35349140657487      1.50300742765180     -1.40871443845602
  C          -2.92185990581023     -2.25974074726031     -1.10913072318132
  H          -3.56259247916743     -2.50843740474457     -0.26281175431602
  H          -3.30425030693752     -2.78484646718491     -1.99345820001680
  H          -1.92278395666086     -2.64982873928741     -0.89378583543122
  C          -1.12954740657881     -0.87298459188874     -3.27909827244435
  H          -0.34939859245120     -0.21216561462818     -3.66505108469512
  H          -0.64716953092174     -1.70794976337977     -2.76397049656618
  H          -1.67909787874098     -1.28136453658574     -4.13774311064150
  C          -1.91201443191591      2.22601915910743     -3.46286317611379
  H          -0.86839174640583      2.01985834276112     -3.71550934965138
  H          -2.49488372369091      2.16971790604429     -4.39133112775177
  H          -1.96777146651145      3.25094391220137     -3.08979437979103
  C          -4.00317522885120      2.79933471707472     -1.06758414805492
  H          -4.09072208713234      2.92025629169420      0.01525753232295
  H          -3.42945420662718      3.64583349149948     -1.45103389188253
  H          -5.01369126245451      2.84669236267297     -1.49483126021197
  C          -4.58790163995327      0.08292294511936      0.41029142371639
  H          -4.50602796693708     -0.89926120348258      0.87909467157884
  H          -4.38570385969953      0.83814276912260      1.17713302595934
  H          -5.62350807325543      0.22358379040230      0.07552643324911
  B          -0.15081408973413     -0.53205389802116      0.87344197939047
  C           0.64818575125931      0.57982521839625      0.09265999848108
  C           0.11310867458870      1.84978102234966     -0.21271306611616
  C           1.94291251391206      0.34373318223793     -0.42845612638117
  C           0.83019947765493      2.91489559039527     -0.72971679794792
  C           2.69844575446452      1.37925415815901     -0.93133008771999
  C           2.13559849930081      2.66433946163935     -1.09418777946450
  C          -0.74674553408443     -0.31318238924865      2.30043992742088
  C          -0.26865978464942      0.63373401600813      3.21288845063785
  C          -1.80928325357280     -1.09839480196567      2.75041323006296
  C          -0.82230432060026      0.80633454105977      4.47277512516059
  C          -2.40504554328614     -0.93896344460928      3.99039734701495
  C          -1.90275270212191      0.02221434067578      4.85970260851615
  F          -2.32785557920827     -2.04080487806621      1.93705502969161
  F          -3.45036935290530     -1.69223287913027      4.35808548572063
  F          -2.45491587608267      0.18841465427095      6.06282634348801
  F          -0.33048798880601      1.71393771823127      5.32277885362121
  F           0.80249936895836      1.37836848742527      2.91452237245980
  F           2.53580738174464     -0.84456611920530     -0.25982804927051
  F           3.98379377786879      1.20337838731007     -1.25613051145324
  F           2.85793115564254      3.59465441403502     -1.71837615830442
  F           0.24236397478059      4.07317652808459     -1.05648128260794
  F          -1.22174857484047      2.16370300337301      1.15183647330729
  H          -0.00526837497799     -1.65915990127584      0.49726984359741
















