This file contains Cartesian coordinates of optimized geometries. The structures are named as follows: (reactants)_(reaction)_(linkage)_(struct) where (reactants) refers to the reactant(s) (G-G, GG-GG, G, etc.), (reaction) is either c (coupling) or t (transfer), (linkage) refers to the regiochemistry of radical coupling (55, BO4, etc.) and (struct) is either rc (reacting complex), ts (transition state) or pc (products). G-G_c_5O4_rc O 0.43183485114183 -2.52021290991445 1.81581309761714 H -0.02548161996136 -3.37303291098580 1.74183196188202 O 4.53509056263039 4.84038001764373 -0.50331287411007 H 0.48865423919634 3.83875698880349 1.54900854015757 C 4.12379367201985 3.68220819152856 -0.36115812727168 C 0.97333158946732 -2.18604302556273 0.55067583767754 C 4.73719563301583 2.53873433617278 -1.01947443108895 H 0.75997191620379 -0.06045471028401 1.03426559374013 O 2.42571654707040 4.45178882700339 1.08049613036971 C 2.95337353592167 3.37592457174864 0.49610370261010 C 1.46209641000986 -0.77461663324762 0.58935748755280 C 1.37709470609104 4.29747530290692 2.01647904958944 H 0.19733654706132 -2.24407296923743 -0.24510362733758 C 4.26182624057614 1.26422144074775 -0.84789036874969 C 2.49072014065662 2.08047649015871 0.63790047956529 C 3.11896044247267 1.00030083637000 -0.03314826364502 H 1.70710397355047 3.68342109963865 2.87611283842769 C 2.63346107329014 -0.36294991741259 0.05536795294726 H 4.75128971056194 0.42187438822597 -1.34715663507709 H 1.80218706774444 -2.86746668408633 0.26005279562808 H 3.28558829559225 -1.12148045295200 -0.39819216488632 H 1.12312255579503 5.31150430919258 2.35700189576174 H -0.53866188596264 -1.80257060913218 -2.64947492257675 O -0.31405924252711 -0.90283602847369 -2.36638029097492 C 0.88123099086209 -0.50745379133024 -3.00861226085982 H 0.83771145239021 -0.72206266933392 -4.10044467894382 H 2.08029006473172 1.31655736389333 -3.22707792380543 C 1.13226323820492 0.95353067702652 -2.81396332471352 H 4.25764268774116 4.76385487480957 -2.98285331340129 C 0.73311221084425 6.01525349233032 -1.31659087574854 C -0.37315357497874 5.21119634642170 -0.81878031875789 C 0.29070301845525 1.78530326971010 -2.16098469976342 C 1.71050152278933 5.29453704619595 -2.17378285965194 C -0.49278140740918 3.87838510181198 -1.11476631379423 H 1.75488182573605 -1.07247126073150 -2.61369685523810 C 0.47452988334929 3.20239311062404 -1.92015298421034 O 2.68009202620610 6.07521353386232 -2.64077837436421 C 1.56869074856692 3.94299189125500 -2.44020582741461 C 3.66700612277098 5.53992251135457 -3.49786496754260 H 3.20990533045583 5.12523569666026 -4.41759857695061 H 4.32808050910274 6.37852111403075 -3.76208719844338 H 2.30686826739068 3.43274269583245 -3.05926810293494 H 1.62427953133511 1.87514995375689 1.26673130694324 O 0.85297079710619 7.21752788824820 -1.06357787594865 H -0.62303914254856 1.34366134652851 -1.75077850470614 H -1.10359254424599 5.73578500506091 -0.19621012621470 H -1.34047821535272 3.30099775064005 -0.73129644674845 H 5.61232569487814 2.75182910248989 -1.63963455459508 G-G_c_5O4_ts O 1.77408211817762 -3.31783662166519 1.52961960154435 H 1.71105616761854 -4.27715896276718 1.39162088841486 O 2.66704050140944 5.26248152596537 0.14097953043964 H -0.71832701566243 2.62118598552269 1.64232926035223 C 2.76366703004198 3.96178074932870 0.18442770045804 C 1.96187060421074 -2.68935445545709 0.27332411957602 C 3.73868890890557 3.25662376157398 -0.56106519408965 H 1.02549160424220 -0.83923735566437 0.98722981879158 O 0.93458029645757 3.89434921036840 1.66188366292764 C 1.83254688256939 3.17764891154184 0.95111661637178 C 1.91661795360704 -1.20765030494208 0.46759353227763 C -0.09666331353468 3.21472470131363 2.34133987001015 H 1.14807725111546 -2.98492028880809 -0.43162873014540 C 3.79333031253323 1.86914495967617 -0.56858583589462 C 1.87019879768663 1.78781027928039 0.90731926211064 C 2.83216267213004 1.10890366347107 0.13029673733353 H 0.30439280114405 2.54043173280385 3.12279675256515 C 2.85603335298699 -0.35238756330473 0.02423230717467 H 4.56181206136788 1.35328938186036 -1.15386590639369 H 2.92165222222731 -2.98359389334282 -0.20420162592144 H 3.72591175102579 -0.76607110501500 -0.50506605098883 H -0.71844235892916 3.98872068933870 2.81796604311503 H -0.92866842388720 -0.96383932166880 -1.12573024299661 O -0.60588297070279 -0.05795802686937 -1.25232349962976 C 0.25967380585340 -0.04065765340171 -2.37026492613582 H -0.25828010162403 -0.41214567302763 -3.28484174614638 H 1.62555290269223 1.40837045259782 -3.30341118090404 C 0.77557097023342 1.34371492981439 -2.61418551972944 H 4.51501596803998 3.90322648822202 -4.08515223730510 C 2.09394119500032 6.37974829088550 -1.94144696969756 C 1.17294672131349 5.87069628949248 -0.88256575504945 C 0.28446353091270 2.44034368238291 -2.00490548281769 C 2.56430157236418 5.32521339988304 -2.89487601472238 C 0.37849758750266 4.72695324873171 -1.14753049378602 H 1.13303770661194 -0.70677674516195 -2.20558554763448 C 0.84832843520612 3.77997437831157 -2.04112271395451 O 3.59325608819748 5.72145387112615 -3.65871071354378 C 1.95813488634755 4.10711845821293 -2.92854875087072 C 4.12466721343188 4.80752279797360 -4.59157991987855 H 3.36343561680002 4.49965146513509 -5.33577415001434 H 4.94886585634445 5.32699955725633 -5.10365035030383 H 2.30711488885859 3.33532908959194 -3.61310843511384 H 1.13495222399200 1.20381516623069 1.45791708062638 O 2.45274132137223 7.53744584503942 -2.01083465174149 H -0.54916675852939 2.29556366117805 -1.31210260569900 H 0.83453992057034 6.62817374579794 -0.17434229566798 H -0.44461933142063 4.47504574264609 -0.47739872999002 H 4.44338857318787 3.85606185854116 -1.14268650732296 G-G_c_5O4_pc H 4.502656 4.258112 -0.617915 O 2.493842 -3.312348 1.330952 H 2.552952 -4.268034 1.167688 O 2.324857 5.372111 0.322890 H -0.803061 2.166653 1.159908 C 2.617573 4.031499 0.363918 C 2.739556 -2.630439 0.109781 C 3.800848 3.541997 -0.183547 H 1.445453 -0.947582 0.665967 O 0.600289 3.669027 1.522632 C 1.703848 3.124955 0.958043 C 2.459679 -1.174550 0.314715 C -0.420007 2.807831 1.978257 H 2.071807 -3.020515 -0.691930 C 4.062250 2.168453 -0.221418 C 1.960556 1.755126 0.899493 C 3.123179 1.253369 0.278969 H -0.069245 2.164121 2.808662 C 3.352955 -0.189573 0.115759 H 4.984342 1.800872 -0.682310 H 3.784384 -2.770736 -0.241908 H 4.356187 -0.464293 -0.238166 H -1.229153 3.457331 2.347253 H -2.385655 -0.153787 -1.456635 O -1.806385 0.622067 -1.509174 C -0.704196 0.308832 -2.334619 H -1.041598 -0.081771 -3.322453 H 1.115466 1.324256 -3.036899 C 0.158812 1.517799 -2.537424 H 4.481711 3.217191 -3.888908 C 2.494681 6.171327 -1.910544 C 1.527589 5.865067 -0.755152 C -0.157200 2.737273 -2.072344 C 2.784813 5.018737 -2.820362 C 0.454413 4.893330 -1.137033 H -0.073326 -0.489448 -1.880898 C 0.717228 3.912222 -2.037106 O 3.905734 5.188020 -3.542173 C 1.931331 3.964286 -2.866721 C 4.293336 4.165356 -4.430513 H 3.521818 3.988178 -5.205139 H 5.222621 4.505626 -4.912937 H 2.118520 3.132013 -3.545707 H 1.245306 1.052516 1.324305 O 3.030967 7.247978 -2.037304 H -1.111495 2.842435 -1.547310 H 1.129358 6.822136 -0.389427 H -0.438007 4.844904 -0.510315 G-G_c_55_rc O 2.66894431982869 -2.08601894466833 -5.43323244834492 H 2.33969818904505 -2.98740963166946 -5.58823268916464 O 3.90845424818400 6.31783553154581 -4.27366220543960 H 3.82591878828914 2.83723720349562 -1.24481675376055 C 3.40191638788005 5.22144291729538 -4.53059615570961 C 1.55821056518574 -1.17842486899108 -5.37263705838444 C 2.56208163055467 4.98851550338114 -5.69808797667866 H 2.67235215013234 0.11389739603289 -4.00192010836684 O 4.43797618069435 4.27927247647013 -2.62302775082810 C 3.63975263344444 4.03678115635637 -3.66851941411590 C 2.05798120077016 0.14985613771933 -4.90734448297069 C 4.74070684583087 3.22716150373027 -1.73018619043167 H 0.80206198083697 -1.56998096600866 -4.65876854607999 C 2.05218996715456 3.75011283891546 -5.98680673645924 C 3.09307206834344 2.80599445005738 -3.97584098420945 C 2.30919136524163 2.62591939150525 -5.14419866095301 H 5.25268003267081 2.39369125723023 -2.24821000271224 C 1.82031512226320 1.32040623871945 -5.54285691141562 H 1.07379077542161 -1.09082355752908 -6.36495364543892 H 1.22711346589619 1.30291451950526 -6.46721009261216 H 5.40855026031502 3.65270251274175 -0.96596061942328 H 3.29686923711545 1.94407023408247 -3.34199234264900 H 1.46181665104017 3.60109238471689 -6.89666723965929 O 4.46891429934535 -1.40472004100552 -3.37643979966872 O 4.35250097962649 5.14831621461431 -8.89883568318604 H 3.88134665640530 -1.79276096854998 -4.06121236958659 C 4.72904463902740 4.27346598403976 -8.11116461059313 O 3.55472524237248 2.63844471491294 -9.35350259143209 C 4.33013409034661 2.85519069497696 -8.28237174807122 H 2.49280875365133 1.39297017292635 -10.53445863266220 C 5.55946625825699 4.55315949695143 -6.94889509836416 C 4.71884494859664 1.88682720195383 -7.37767005211990 C 5.91477495240432 3.57211983266018 -6.05954801561025 C 5.49759578077066 2.21887030335411 -6.23773690627273 C 3.10713455637173 1.32952292424644 -9.62335772790533 C 5.81636295537527 1.24452007727317 -5.21182231816490 H 2.49273356060617 0.93399503905938 -8.79063725033396 C 5.39162553585282 -0.03882624770293 -5.15241055986009 H 4.40207240443239 0.85333319384834 -7.50942308483435 H 6.49789889672714 3.82850537852972 -5.16933066287392 C 5.66258433538543 -0.97849308502634 -4.01187474073854 H 6.43265340033387 1.62257606227968 -4.38494476027656 H 4.75124122130413 -0.44590185562379 -5.94466292332486 H 6.27830485206673 -0.48200546905634 -3.24168820769706 H 3.95610155845696 0.64098551676585 -9.79944580194316 H 6.24489466278719 -1.85365189881079 -4.37946398303618 H 2.39966391823880 5.84587449560327 -6.35594541071446 H 5.84244747511910 5.59749657714548 -6.79676804492206 G-G_c_55_ts O 2.61725105330122 -2.10639644092222 -5.44558031582700 H 2.22283620404067 -2.98502917380059 -5.57907044379065 O 3.84081279861964 6.39227968556607 -4.21526399661740 H 3.27537843712545 3.12768177731257 -1.03352869896771 C 3.49932513178369 5.25585851662737 -4.49849914986626 C 1.56968801862045 -1.14773227828795 -5.23038708516445 C 3.03434961362654 4.87336019593012 -5.86145643883572 H 2.76290776180386 0.11838669673269 -3.87651358215364 O 4.14971541749364 4.47792594396341 -2.36036318951385 C 3.57493128442217 4.13014632375382 -3.52361836745507 C 2.15834522009794 0.15512840471089 -4.78864127039209 C 4.26848153709303 3.50064518523554 -1.35159293328530 H 0.87948065018579 -1.52956773254038 -4.44844628210137 C 2.37280506398408 3.64116966550225 -6.06462357045390 C 3.09624774073443 2.89374939247111 -3.84511013850473 C 2.47838774028717 2.62433510790034 -5.12989652649453 H 4.87896689246214 2.64065162944904 -1.69206405045073 C 1.96342646863221 1.30637253718576 -5.46492898536699 H 0.98512277504028 -1.00820938942145 -6.16060184660379 H 1.39371550009801 1.26339194439409 -6.40303688797458 H 4.76581035268631 3.98912238642622 -0.50001102018256 H 3.15552671674030 2.07384822771461 -3.12878182823234 H 1.88674929937763 3.44660544587405 -7.02475247587929 O 4.56992516427989 -1.63385886285221 -3.53755047942174 O 4.37871857968796 5.21757474732606 -8.81481906569753 H 3.89447244531633 -1.94740301596317 -4.17759723920906 C 4.59738241698327 4.31330846859011 -8.02637165531413 O 3.82149325090847 2.71100169714470 -9.58518367471124 C 4.37485778313711 2.87941659516046 -8.37152599393769 H 3.13160930886226 1.49060714519484 -11.03779017542994 C 5.05220672185950 4.55643020662623 -6.62787132062354 C 4.71673925644402 1.88859002263755 -7.49886047866395 C 5.57640445022803 3.49382849705241 -5.85948897367786 C 5.33097607660695 2.17729029314108 -6.21559722580490 C 3.58006588949580 1.39956737884332 -10.03690341331568 C 5.69158373321071 1.11855643668710 -5.28519063639209 H 2.87853237436231 0.86426868699839 -9.36583187913182 C 5.33720806925796 -0.18168568442868 -5.34241185240540 H 4.54874713930703 0.84257691858867 -7.75658091968292 H 6.06108165088257 3.71381662949908 -4.90444423721707 C 5.69100778328609 -1.18367409112358 -4.27514127211033 H 6.26416489309129 1.45514205229659 -4.41029890561211 H 4.72785617873284 -0.56094105859470 -6.17142683145305 H 6.38827567277909 -0.72940373643373 -3.54949520879407 H 4.51997487379248 0.81714252700251 -10.10520615678477 H 6.22363859007490 -2.04191647297203 -4.74462335465418 H 2.85830215338601 5.71356103787367 -6.53792257752157 H 5.34203386577047 5.58853952992796 -6.41443738831932 G-G_c_55_pc O 2.50960480282049 -1.99313604316310 -5.36866875496562 H 2.14247906326227 -2.88761895609690 -5.47012664682073 O 4.16854248122917 6.30453318968635 -4.15870528048696 H 3.30934172553290 3.17068176068334 -0.92317084026832 C 3.74355062028103 5.20128925060527 -4.42899680207126 C 1.44735740339107 -1.08104721342089 -5.04545156630652 C 3.32914460357721 4.83135891494154 -5.85026764741145 H 2.74350777764403 0.18663576192668 -3.80232969550608 O 4.30604800833972 4.40810705843149 -2.27342331967852 C 3.70328711369834 4.09237785314115 -3.43186441611027 C 2.04190001023974 0.23059495944281 -4.64312164308773 C 4.33313996143428 3.44117834498911 -1.24752623606898 H 0.84631249109211 -1.49892759671522 -4.21050536125380 C 2.44707114495772 3.63950222455126 -5.96972330533832 C 3.10201354133355 2.91000094059110 -3.73228448436179 C 2.43220121128439 2.67770058582596 -5.01190147608925 H 4.85748779315024 2.52162560874232 -1.57413907062405 C 1.80976259386965 1.38219805585701 -5.29730321771860 H 0.77688024826938 -0.95051324560951 -5.91738709281962 H 1.15887781859575 1.36399673068594 -6.18207382237443 H 4.87627469431970 3.89502908783285 -0.40480799097897 H 3.07588550431239 2.10582148987902 -2.99632459259735 H 1.92647644470865 3.47876668905259 -6.91852080355156 O 4.65807019891097 -1.53315543462432 -3.63210666558746 O 3.96866805185864 5.15751640639489 -8.84819514415622 H 3.93120575794793 -1.80876568196987 -4.23217336483316 C 4.31202743853257 4.27317140037025 -8.09191140053218 O 3.69466056463998 2.62888075712198 -9.67505430295730 C 4.25342436947847 2.83173158438362 -8.46781616909145 H 3.12840155528517 1.36953611970743 -11.14800092955660 C 4.72114981900034 4.56786454923023 -6.65160115330197 C 4.73564206470803 1.87386546412763 -7.63077604378958 C 5.48792454020346 3.49226476629000 -5.96694990673655 C 5.38358696557287 2.19677914836938 -6.35876111454875 C 3.60398283217132 1.30898758587136 -10.15738327515777 C 5.84092083150768 1.12716921097440 -5.46487979740721 H 2.98538125896132 0.67658804832817 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