134
KTeNTeTHF3 (2-Te*)
Te        0.29557298191999       8.43283858766380       7.49287210856260
Te        0.28662762748205       6.89868238823722      11.14866073773796
K         1.28596212316983      10.27104190495671      10.47386514999285
N         2.40925416090153       7.87984718732903       9.43308649628285
O         2.71843234399789      10.87253293048979      12.69950939518948
C         3.11301850033689       7.43213028257289      10.51697089017311
C         2.36484604705161       6.91554146772046      11.60586560847844
C         3.12440331429315       8.24478401203564       8.32586738432100
C         4.53993902363682       8.32455779633606       8.26364453862948
C        -0.36932766924844       6.22039873874694      13.10565829297968
C         2.39168489034105       8.59466024631414       7.16463139850897
C        -0.22187439830262       9.32498189375608       5.58168454521371
C         4.40529132319291       9.07896091072771       5.92280262072922
C         5.03218239785345       5.97078242048465      14.14101572344478
H         4.45074974210834       6.21221513786515      15.04252725998341
H         6.03704018122783       6.39878112672587      14.26113525495930
H         5.14528350326865       4.87479714095972      14.11524861859648
C         4.36125108041446       6.49005154159724      12.89600958600910
C         5.09184901833962       9.48425865571308       4.64460409071488
H         5.25300171258661       8.62094992293954       3.97830683917907
H         6.07761688880480       9.92842595409779       4.84211622490145
H         4.49509422475230      10.21712676179206       4.08316501171300
C         3.00390271289902       9.00281793837297       5.99138128042199
H         2.40218455595297       9.27881174108487       5.12330878786680
C        -0.31861554635128       7.08749206033103      14.22155631066423
C        -0.16539873723947       8.53023466027891       4.41459310512853
C         4.52676843241732       7.45190437487087      10.63369783800214
C         2.96142219591169       6.46002158731904      12.76982718638517
H         2.34836465235870       6.06704200107341      13.58402414342541
C         5.13761676928435       8.73780127896142       7.06757182319397
H         6.22696177752735       8.81166797891629       7.01756516208985
C         5.38848125150819       8.03940193701707       9.50927918633706
C         5.10810071680749       6.98145340168624      11.81726050871319
H         6.19601094000240       7.00659881339756      11.91950170572454
C        -0.84892357834923       6.64234281969566      15.43949565255875
H        -0.82061120187771       7.29673070100019      16.31095374685740
C         0.29414096765014       7.08062995916798       4.42971021453124
H         0.86735243632178       6.93103288647637       5.35647736852163
C        -0.91337704604915       4.92034634474859      13.22327323079953
C        -1.41054879111777       5.37503982547042      15.56012325872647
C        -0.57300592955797       9.09763921839920       3.19896406503643
H        -0.54187767284858       8.49515434166786       2.29038633095961
O        -0.44381399190708      12.31930458418376      11.02005842337342
C         6.00190311887664       9.37575048578327      10.00075661006008
H         6.61034081740744       9.21849157614700      10.90302465586935
H         5.20394574720355      10.09148128846638      10.24349701394522
H         6.63734463261473       9.82151334220912       9.22183958267457
O         2.76079066514803      12.23358133293358       9.22290214315065
H        -1.82129788699016       5.04797539487558      16.51665784797562
C         4.94508294843551      13.15588294687219       8.93180619905086
C        -0.68833335742667      11.56644136054553       6.74893306006457
H         0.05786399902532      11.16253485689829       7.45239236099677
C        -1.01163190703216      10.41514242109964       3.13025021307045
C        -0.63664635061184      10.67516846799345       5.51856147091583
C        -1.43419865502828       4.52233030384796      14.46299671779554
H        -1.85877432041218       3.52405518739242      14.57071420540697
C         6.53149573033704       7.06208635232374       9.15780211107816
H         7.17349745352548       7.47166391696936       8.36697445279845
H         6.11993622116259       6.10701801436321       8.80825747852419
H         7.16652651381768       6.86505996330797      10.03146874404118
C         0.26596832347743       8.48997297737341      14.13713290194601
H         1.01069420416847       8.47949045507969      13.32804929744599
C        -0.32713611494944      13.02924614005180       6.47189156277042
H         0.61251221267513      13.11207363438429       5.90898554364882
H        -0.20438154813793      13.57001402219502       7.42099094297895
H        -1.10870103340469      13.54966761750914       5.89983060763680
C        -1.03439471391759      11.19754871959344       4.28036311048742
H        -1.36187343605664      12.23555075805089       4.21351795997767
C        -2.28604611558505       4.15859355652444      11.26318771105843
H        -3.15659974209929       3.94126116908819      11.89956491771764
H        -2.32022357794214       3.49201185052394      10.38960432111063
H        -2.37913350888185       5.19288418432138      10.90415747596621
C        -0.98027856800856       3.95775140791948      12.04821619925393
H        -0.15067351496912       4.22573430077073      11.37440798786469
C        -2.05773155154709      11.45930088778084       7.43519609235339
H        -2.85755966452627      11.79413921475792       6.75889152656616
H        -2.08768912144013      12.08089399522183       8.34149979238105
H        -2.27078289451971      10.42162381710404       7.72609554518890
C         0.99219659207200       8.92830599224912      15.41228702060873
H         1.47743341548661       9.89937070857543      15.24538669977506
H         1.76361191133053       8.20256235439001      15.70301986457203
H         0.30480690625038       9.05417472356184      16.26078385014001
C        -0.80173781186729       2.48730803949843      12.43893317147755
H         0.09994534838831       2.34086800515987      13.04849013339510
H        -0.70582166985537       1.87315777938642      11.53300764189265
H        -1.66226880091909       2.09877531960629      13.00288933977436
H        -1.32717049211599      10.83801049497906       2.17515310405717
C        -0.03634460753765      13.66644513462890      10.69219720747290
C         1.22210929918737       6.72586640148206       3.26228028129187
H         1.61728819178025       5.70983076836673       3.39879790023078
H         2.07400648679762       7.41681334392315       3.20733522752482
H         0.70088672406430       6.74611007440143       2.29428985051368
C        -0.91779560644699       6.13890805904948       4.48563262511556
H        -1.55122978225155       6.26514000744296       3.59521319098310
H        -1.53069646943608       6.34476909868982       5.37361068144137
H        -0.59107525604392       5.09022668147125       4.53043732612785
C         2.73665480837952      12.09185995813930      13.45892730601068
H         2.13855562334873      11.96269809086898      14.37838964244582
H         2.26345258789963      12.86897243981803      12.84446568721551
H         5.47382200790037      14.11113073757492       9.03880912801337
H         5.66224737051631      12.34242359441395       9.10814970902029
C         4.21752157826991      12.37391451343823      13.79833946483827
H         4.33342441070825      12.60252843072130      14.86511365100677
C         3.80374591367367      10.07053682264165      13.21304772851625
H         4.00647222237975       9.27377550015439      12.48939600184559
H         3.50258940447624       9.60971943301752      14.16911113913065
H         4.60600388464846      13.23044903695398      13.23340620989093
C        -2.31075004747357      13.77397279500170      11.34604234978284
H        -3.35694239313257      13.87106404437213      11.03166146905287
H        -2.20969943228183      14.23324455747981      12.33969198477103
C        -0.81809096534644       9.50984389010601      13.75709557959378
H        -1.59097826090465       9.56583960606349      14.53764858248665
H        -1.30421211575065       9.22680126245019      12.81340265853004
H        -0.37548228772984      10.51007546737926      13.63491430578069
C         4.27707561630129      12.97586242189777       7.56241196598155
H         3.80709995447205      13.91382784163046       7.23112544982236
H         4.97352952875684      12.63967682688723       6.78466393278693
C         3.22505227187080      11.92463314431530       7.87718218689909
H         2.35291660521275      11.94491545775653       7.21295718226468
H         3.65607430142451      10.91355808068231       7.86229373043574
H         0.46990856304004      14.11882705887257      11.56542043280616
H         0.68091107838240      13.60246702095260       9.86290017051703
C        -1.32137021727504      14.41439246636288      10.36352557547288
H        -1.22402823288792      15.49929681952435      10.49400345286363
C        -1.84997433792651      12.31500946823576      11.37981063996210
H        -1.95852030630857      11.85127381179162      12.36988995270870
H        -2.38757073473314      11.69735311229002      10.64318077405972
C         4.94564942906979      11.06382198539388      13.40967330504919
H         5.49858136391379      11.18824851268426      12.46930831046748
H         5.65668442879821      10.73059059395922      14.17536985564509
H        -1.62280063958841      14.21735351008811       9.32497633749012
C         3.76085362190551      13.03709432768740       9.89336192804069
H         4.02660829691933      12.54817009223551      10.84175097871422
H         3.31879230432748      14.02305718583415      10.11892192429547


134
KSeNSeTHF3 (2-Se*)
Se        3.71842041057287       7.00274047535638      27.49319269032099
Se        3.68630489038488       8.39595189252661      23.60595349062595
K         3.01241083606033       5.20610919786602      24.65869112077901
N         1.75800294911271       7.57963221536974      25.51492813645212
C         1.04067873113281       7.98742959538833      24.42764652491898
C         1.05727298444587       7.26862603588063      26.64505391094616
C         4.31405068568381       8.98983645227090      21.84739210530368
O         1.44826523002112       3.32313515659663      25.90482248269662
C         4.64505175598747      10.75730852026664      20.23354541854721
H         4.50899725337657      11.79362070648776      19.92113527350593
O         1.51583562412032       4.41549244685538      22.44965483313251
C        -0.35798657538256       7.26581823702945      26.75948261199195
C        -0.97707747412250       8.44641131042086      23.15431681606852
H        -2.06838576692447       8.48886636443643      23.09623063865116
C        -0.37776722309953       8.04029972448653      24.35085101065553
C         5.34172364303414       9.88105841838412      19.40835596622248
C         4.44402893156720       4.90426420344034      29.41565621709206
C         1.21033202573407       6.51821279569573      28.98659667098595
H         1.82643894482345       6.23786246654310      29.84348351791719
C        -0.19142183618907       6.50134598596285      29.09493879908365
C         1.77392916072175       8.38530454862826      23.27647256636680
C         4.12074810914735      10.33713194943538      21.46390288571850
C        -0.85587979744558       6.12479368678602      30.39459504162434
H        -0.32766288745817       5.29936664343167      30.89417211495282
H        -1.89720219228432       5.81187032769543      30.23521009511474
H        -0.87381718415638       6.96949200531288      31.10281290545116
C         1.80721700923421       6.89590722848803      27.79507008583930
O         4.79683366982465       3.41801677338692      23.43900926014506
C         4.33848906752125       6.29970452472040      29.21344725804670
C        -0.93956640151536       6.88366511038409      27.97512167381850
H        -2.02953647322671       6.87610085082179      28.06158999098317
C        -2.12242519389143       8.86844744793020      25.96099457439798
H        -2.75833430680442       8.62497229775695      26.82342939593685
H        -2.77563545047543       9.16845096211370      25.12979518868372
H        -1.49265185337180       9.72612488786932      26.22996283002497
C         5.02420837972634       8.08674038120641      21.02042513761793
C         5.02231740930295       4.44795794277875      30.60698227023421
H         5.12089307756565       3.37641707647466      30.78400542313627
C        -1.23766526368947       7.66014926590732      25.56477543874947
C         5.46868096762188       5.34185270160792      31.57703089904671
C         1.15595292619039       8.75838673246463      22.09197893506756
H         1.75640953634981       9.03820648347897      21.22447697176834
C        -0.24509766355729       8.79462099613380      22.01039937853689
C         3.95523001022557       3.90525853844050      28.37743635692863
H         3.15171991389229       4.40447396347834      27.81689762030248
C         5.31810484245824       6.71051209828863      31.38254211449213
H         5.64658394219596       7.40024482647102      32.16074427783882
C        -2.15428441654177       6.46777893745145      25.18957847448146
H        -2.79351331459435       6.17923181813720      26.03552651324100
H        -1.54953540382501       5.59498278848578      24.90716635401573
H        -2.80430543117506       6.72042042750244      24.34019757058346
C         4.74285935076932       7.21809251176337      30.20825294753611
C        -0.93473289155373       9.23537241150992      20.74439305881441
H        -1.28274355354033      10.27934915764040      20.81087470878174
H        -1.81799277894697       8.61640382393170      20.52629053060474
H        -0.25893917187305       9.17379052441031      19.87994102676712
C         5.29216365397447       6.65046103100171      21.44403978338418
H         4.42905130237234       6.34117004502313      22.05383540902432
C         3.36015292169589       2.62814000850484      28.98099508504359
H         4.12105362465218       2.00275433939526      29.46989781580367
H         2.90400686763934       2.02199001377482      28.18563106545924
H         2.58439840262572       2.86077049766445      29.72302437498877
C         4.58778873250681       8.72146584078263      30.03258123006179
H         3.78128276519347       8.87189382167614      29.29897012953294
H         5.92161625735343       4.96737287533611      32.49663086246964
H        -1.29305903205233       3.07175915790078      25.66397775142720
C         2.41334627895413      12.23157371877602      21.59970071425288
H         2.90068357052290      12.89526237549408      20.87062033379737
H         1.87134280148216      12.86981897552231      22.31136467952312
H         1.67434158962307      11.61856499077001      21.06655454573242
C         1.32240611201145       1.94301377231333      25.49178546990098
H         2.21736686820690       1.38363717078213      25.81162629808467
H         1.27915281872636       1.92629324574336      24.39102626592634
C         5.53003342235653       8.55927072046211      19.80187728965595
H         6.07994424335174       7.88230632921377      19.14771932872904
H         5.74261441578062      10.22913612623812      18.45487684268718
C        -0.64100550807267       5.07236467898287      21.72435804939423
C         0.32270309853179       5.22874830339526      20.54074475542599
H         0.17113545225094       6.16777579105162      19.99437191541286
H         0.21225990441391       4.39259331940250      19.83438967476776
H        -1.62989975391674       4.69692108685279      21.43152739370074
H        -0.76791812352616       6.03409921148602      22.23970156713725
C         6.53479325083513       6.57970560748459      22.34834661946821
H         6.70114416504671       5.54971486326403      22.69442853286070
C         5.41855968284456       5.66126424238097      20.28122258324842
H         6.34233058841564       5.81384312161647      19.70436223476778
H         4.57004014422194       5.73980562908006      19.58788772018490
H         5.44829408017981       4.63571036087610      20.67514868344128
C         5.86733043157844       9.32905566821834      29.43379621534504
H         6.72409103061566       9.17330975425930      30.10639685912144
H         5.74522688512292      10.41036397247326      29.27632039339988
H         6.10440988383567       8.86881395227742      28.46504606674694
C         3.42146916973781      11.35487942871208      22.35446271129217
H         2.86124665793742      10.79843959115506      23.11718232121601
H         6.42254768342852       7.22371321501862      23.23090308463585
H         7.42910011215548       6.91090755620595      21.80045390299527
C         0.11443011818858       4.09578166385843      22.61450032374888
H        -1.42537204032023       2.52569302487597      27.35209963415807
C         4.18226626081915       9.44761140420329      31.32116740300734
H         3.29351230222122       8.98913688771570      31.77562552539467
H         3.94712091910307      10.49708155493361      31.09584937999610
H         4.98693907642569       9.45006486907636      32.07109621122051
C         4.46697736760017      12.21106869388452      23.08913524012877
H         5.13883106059008      11.57964756112750      23.68612827855685
H         3.97405349139696      12.92308282732163      23.76656798938138
H         5.07878839721563      12.78313044632527      22.37570888463115
H        -0.12705464372218       4.19109066926930      23.68211301465641
H        -0.05811595212461       3.04745314667755      22.30584947105676
C         0.41209449506829       3.61829245349841      26.87684530513296
H         0.16973412682167       4.68409549721789      26.79627308048684
H         0.78978100807710       3.42345364856115      27.89480039621840
C         0.03573547098334       1.39871751831070      26.13516414473101
H        -0.52515285156320       0.74733896487257      25.45341454243472
H         0.27494442087166       0.81720757896486      27.03663879867263
C         5.07122476401074       3.56044259114862      27.37827558177020
H         5.47255805961291       4.47153681994545      26.91268135125136
H         4.68701714771457       2.89934976513855      26.58636112207173
H         5.90245493343187       3.04471885879655      27.88144692887808
C         1.68913665866195       5.18676572381001      21.22466823349594
H         2.46585103657104       4.69904472615428      20.61770026731182
H         2.02679752918236       6.19713259625545      21.50120106580265
C         5.87275024874535       1.39313304213173      24.04905764536376
H         6.74333696229747       0.81657098258654      23.71235467689185
H         5.71851648870542       1.17245768799493      25.11270436292136
C         4.59535183862890       1.07493970540539      23.22527815866371
H         3.77877632790189       0.75421930374102      23.88459598343253
H         4.75727450231700       0.28275127368934      22.48359889809702
C         4.25312256534708       2.41523434364457      22.56018540146857
H         4.73792306525722       2.49799962921860      21.56886814812159
H         3.18203975801815       2.62243636186930      22.44813133235215
C         6.08162447873008       2.90225899087469      23.82845774042480
H         6.40447362494984       3.44751698393347      24.72329089799571
H         6.80985906701776       3.08649430035826      23.01699840599671
C        -0.72652512052853       2.67639104845126      26.52001699247931
