24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 120), G = -3499.591527424026
Pd	   0.883020220591	  -3.165182698259	  -1.969907896877
P 	   3.194299104969	  -2.311644147588	  -1.502276485583
Cl	   4.155907535309	  -3.454782465045	  -1.736074993762
Cl	   3.227140784646	  -1.851236658195	  -0.062578250760
Cl	   3.461316399136	  -1.165760303515	  -2.451860557539
C 	  -1.476694944232	  -2.446711716703	  -5.183258842668
Cl	  -1.896269908801	  -1.668934198538	  -6.693185977077
C 	  -0.514325841850	  -3.442207842102	  -5.172234659940
C 	  -0.177036402149	  -4.062212613006	  -3.952496502086
C 	  -0.816965855375	  -3.615615196563	  -2.780003678881
C 	  -1.848292135283	  -2.656160868753	  -2.802045705747
C 	  -2.146514453973	  -2.050282077825	  -4.010053606577
H 	  -0.040401745307	  -3.767128250904	  -6.100253744967
H 	   0.467626750069	  -4.946077454046	  -3.948380080678
H 	  -2.365774209009	  -2.375081063981	  -1.883645665680
H 	  -2.898608837198	  -1.260290254606	  -4.054071807909
O 	  -1.389812389655	  -5.042153575920	  -1.649810853515
S 	  -0.807903874133	  -5.143360981397	  -0.258222006221
O 	  -0.368476834988	  -6.474950614567	   0.106142733445
O 	   0.107523776275	  -4.021855279423	   0.049107610677
C 	  -2.286044747907	  -4.778714613483	   0.791854262307
F 	  -2.785578954938	  -3.592619788868	   0.475032048684
F 	  -3.217390600786	  -5.699845914654	   0.610017582575
F 	  -1.933857692748	  -4.768105361598	   2.067637525075
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 130), G = -3499.591659204847
Pd	   0.884165559207	  -3.169772516468	  -1.970166363905
P 	   3.193036828691	  -2.307630470847	  -1.503528482567
Cl	   4.160767396438	  -3.446635534328	  -1.732088613552
Cl	   3.222225011200	  -1.840987146033	  -0.065747481391
Cl	   3.454660031783	  -1.164098509456	  -2.457477863611
C 	  -1.473964450069	  -2.445752909707	  -5.182599542919
Cl	  -1.891655818661	  -1.665866369782	  -6.691958874783
C 	  -0.515865935420	  -3.445496411114	  -5.172783506683
C 	  -0.179764283313	  -4.067052840790	  -3.953611955224
C 	  -0.816275029619	  -3.617869530505	  -2.780299063027
C 	  -1.843567157082	  -2.654037108712	  -2.801030782834
C 	  -2.140699525248	  -2.046652028838	  -4.008644668387
H 	  -0.044286567129	  -3.772198605177	  -6.101378430158
H 	   0.461859799087	  -4.953102678527	  -3.950122916426
H 	  -2.359024806123	  -2.371200659863	  -1.882011854053
H 	  -2.889645080479	  -1.253608754382	  -4.051668944235
O 	  -1.393842651887	  -5.042419271311	  -1.649774611810
S 	  -0.810529520044	  -5.146178073355	  -0.258998546662
O 	  -0.372755181458	  -6.478837301568	   0.103505285317
O 	   0.106932405605	  -4.026400710744	   0.048481585291
C 	  -2.286890316793	  -4.780368835188	   0.793149352633
F 	  -2.785252504295	  -3.593387328438	   0.477846099790
F 	  -3.219654558308	  -5.700168703172	   0.611827067219
F 	  -1.933088503415	  -4.771191641260	   2.068513558268
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 140), G = -3499.591798186336
Pd	   0.885666717555	  -3.173802010879	  -1.970042392721
P 	   3.192449055002	  -2.303060497771	  -1.504484285263
Cl	   4.166131749344	  -3.437785709342	  -1.728786439335
Cl	   3.218453300551	  -1.830814656768	  -0.068475372961
Cl	   3.448270165496	  -1.161500367682	  -2.462384191430
C 	  -1.471599840294	  -2.445239940681	  -5.181919558492
Cl	  -1.888003489202	  -1.663821917532	  -6.690843480956
C 	  -0.517574354606	  -3.449018102638	  -5.173275684560
C 	  -0.182247973987	  -4.071724128556	  -3.954590798372
C 	  -0.815122736192	  -3.619815364608	  -2.780413521000
C 	  -1.838565406066	  -2.651815096788	  -2.799847355124
C 	  -2.135026206028	  -2.043294341087	  -4.007149393995
H 	  -0.048578865206	  -3.777702984004	  -6.102496930943
H 	   0.456448786458	  -4.959858320253	  -3.951649751310
H 	  -2.351929897340	  -2.367184977971	  -1.880180555749
H 	  -2.881027363110	  -1.247412613150	  -4.049212690441
O 	  -1.397268247926	  -5.042692389165	  -1.649920915003
S 	  -0.813097231910	  -5.148679647748	  -0.259710055579
O 	  -0.376480102591	  -6.482189919995	   0.101149355942
O 	   0.105685427802	  -4.030141913696	   0.048192863920
C 	  -2.288310816718	  -4.782474741372	   0.793894504071
F 	  -2.785790380876	  -3.594716242263	   0.480164602972
F 	  -3.222065541674	  -5.701242204069	   0.612392632065
F 	  -1.933531605821	  -4.774925851540	   2.069019860544
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 150), G = -3499.591912593504
Pd	   0.887912762601	  -3.177139803306	  -1.969787655683
P 	   3.192820604709	  -2.297573657165	  -1.503982548821
Cl	   4.172516195543	  -3.427766534130	  -1.724743788644
Cl	   3.215141493093	  -1.820890757544	  -0.069376357684
Cl	   3.443043744291	  -1.157178636710	  -2.464786710374
C 	  -1.470406728330	  -2.445522966059	  -5.181377852259
Cl	  -1.886887696274	  -1.663483315413	  -6.689957644584
C 	  -0.521133555167	  -3.453985917440	  -5.174293685711
C 	  -0.185625418798	  -4.077279500000	  -3.956161322338
C 	  -0.813073212717	  -3.621601999927	  -2.780642047647
C 	  -1.831812168215	  -2.648538314379	  -2.798282292618
C 	  -2.128679206293	  -2.039438709316	  -4.005317219539
H 	  -0.056063641094	  -3.785551623191	  -6.104460076798
H 	   0.449852171853	  -4.967665251331	  -3.953798682656
H 	  -2.341976244335	  -2.361299123046	  -1.877631288707
H 	  -2.871285907852	  -1.240320687458	  -4.046058766703
O 	  -1.400157004896	  -5.042276071997	  -1.650739248338
S 	  -0.815553367719	  -5.150915826106	  -0.260924079502
O 	  -0.380098030796	  -6.485346430462	   0.097951157950
O 	   0.104281757095	  -4.033573115047	   0.047810042537
C 	  -2.290019904282	  -4.784937524414	   0.793799837806
F 	  -2.786790481660	  -3.596440730777	   0.481863711194
F 	  -3.224476494372	  -5.702845149365	   0.611549304731
F 	  -1.934644523730	  -4.779342294964	   2.068777660669
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 160), G = -3499.591959518877
Pd	   0.891265266368	  -3.179830651616	  -1.969513377296
P 	   3.194685684538	  -2.291200126543	  -1.501916408859
Cl	   4.180520443975	  -3.416624402324	  -1.719425694576
Cl	   3.212460799706	  -1.811076801922	  -0.068392125483
Cl	   3.439696368686	  -1.151288747996	  -2.464675226447
C 	  -1.470705587317	  -2.446901311288	  -5.181038551023
Cl	  -1.889072419095	  -1.665543258462	  -6.689448499527
C 	  -0.526651009846	  -3.460507626493	  -5.175864181044
C 	  -0.189712447708	  -4.083549953951	  -3.958276997898
C 	  -0.809916344403	  -3.623001116998	  -2.780953945483
C 	  -1.823324011332	  -2.644203313666	  -2.796323765570
C 	  -2.121940342898	  -2.035325903635	  -4.003184855238
H 	  -0.066973837944	  -3.795986658025	  -6.107312618574
H 	   0.442334796597	  -4.976305204629	  -3.956485019050
H 	  -2.329164262394	  -2.353554645784	  -1.874330995850
H 	  -2.860911200094	  -1.232752303012	  -4.042290822742
O 	  -1.402377352028	  -5.041195095463	  -1.652212009638
S 	  -0.817892052559	  -5.152667127539	  -0.262562589319
O 	  -0.383499055438	  -6.488013293504	   0.094220329234
O 	   0.102599716136	  -4.036339982367	   0.047356497512
C 	  -2.292206179967	  -4.787571502309	   0.792705205283
F 	  -2.788260290376	  -3.598251874534	   0.482920719126
F 	  -3.227134640053	  -5.704654233302	   0.608704211283
F 	  -1.936936899896	  -4.784568804198	   2.067731167457
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 170), G = -3499.591902675919
Pd	   0.896200560746	  -3.181720809552	  -1.968745921422
P 	   3.198737000381	  -2.283504911095	  -1.497857424444
Cl	   4.190853291297	  -3.403856014523	  -1.712663159664
Cl	   3.211541841574	  -1.800821741780	  -0.065143783660
Cl	   3.438516663432	  -1.143474042016	  -2.461831944638
C 	  -1.472977665785	  -2.449525915266	  -5.180617779657
Cl	  -1.895807936417	  -1.670473528408	  -6.688974655470
C 	  -0.534969389217	  -3.469076255703	  -5.177983175844
C 	  -0.194857454867	  -4.090886334622	  -3.961057519447
C 	  -0.805053943178	  -3.623960668260	  -2.781212858942
C 	  -1.812018333606	  -2.638278540130	  -2.793506103993
C 	  -2.114298110153	  -2.030568240714	  -4.000227720142
H 	  -0.082875162054	  -3.809861681653	  -6.111218457686
H 	   0.433380298846	  -4.986231060159	  -3.959934620133
H 	  -2.311818365205	  -2.343094954515	  -1.869631678602
H 	  -2.849150656223	  -1.224106367129	  -4.037120614840
O 	  -1.403649609908	  -5.039309610316	  -1.654793088872
S 	  -0.820305604539	  -5.154155050950	  -0.264904110809
O 	  -0.387279869955	  -6.490560569502	   0.089575559255
O 	   0.100564813978	  -4.038884414751	   0.046910391329
C 	  -2.295389025643	  -4.790561374169	   0.789872562571
F 	  -2.790383411309	  -3.600172818415	   0.482715134450
F 	  -3.230643969534	  -5.706635260542	   0.602512024633
F 	  -1.941430820060	  -4.791193774945	   2.065269392345
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 180), G = -3499.591650283226
Pd	   0.903415145017	  -3.182498989954	  -1.967413336249
P 	   3.205682187531	  -2.273560750693	  -1.490996138723
Cl	   4.204317001645	  -3.388942891566	  -1.701149076719
Cl	   3.211769803348	  -1.787219403372	  -0.059471361412
Cl	   3.441223302878	  -1.134220635212	  -2.456872675525
C 	  -1.478311032542	  -2.454146454945	  -5.180019108978
Cl	  -1.909534645649	  -1.679718543733	  -6.688383494455
C 	  -0.547225269020	  -3.480490955759	  -5.180835217651
C 	  -0.201315332733	  -4.099695872893	  -3.964803443164
C 	  -0.797731946882	  -3.624529091169	  -2.781453008391
C 	  -1.796926625948	  -2.630614593880	  -2.789535418951
C 	  -2.105759872733	  -2.025416156342	  -3.996093971763
H 	  -0.105700201301	  -3.828326177792	  -6.116529716853
H 	   0.422760801549	  -4.997817204994	  -3.964569442549
H 	  -2.288297403247	  -2.329455439496	  -1.863042101139
H 	  -2.836025613956	  -1.214650572878	  -4.029911875273
O 	  -1.403192318874	  -5.036551496694	  -1.658935230259
S 	  -0.822525133571	  -5.155339629098	  -0.268175782048
O 	  -0.391512765956	  -6.493008730249	   0.083965522908
O 	   0.098487193754	  -4.041267010083	   0.046374695991
C 	  -2.299703746696	  -4.793740528535	   0.784501933500
F 	  -2.792718106732	  -3.601713451410	   0.480769821752
F 	  -3.235357817766	  -5.708184840615	   0.591243403031
F 	  -1.948932459468	  -4.799804518189	   2.060765469204
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 190), G = -3499.591071627537
Pd	   0.913832103080	  -3.181078504920	  -1.964361466727
P 	   3.217359782726	  -2.260772102807	  -1.480410654421
Cl	   4.222000773315	  -3.370756693838	  -1.690098993388
Cl	   3.218478609175	  -1.774773672646	  -0.048799037526
Cl	   3.447724875126	  -1.119706379409	  -2.445526230129
C 	  -1.487975893259	  -2.461567200578	  -5.178535948000
Cl	  -1.933558025768	  -1.695014644287	  -6.686759948313
C 	  -0.564747011955	  -3.495618322474	  -5.184218916857
C 	  -0.209079424845	  -4.110380891384	  -3.969617946062
C 	  -0.786437158316	  -3.624687416078	  -2.781418608240
C 	  -1.776220747850	  -2.620960352873	  -2.783573340301
C 	  -2.095974039380	  -2.020073204421	  -3.989756240838
H 	  -0.137937157178	  -3.852607783191	  -6.123284787570
H 	   0.410623974269	  -5.011345862001	  -3.970719894371
H 	  -2.255738054739	  -2.312109146072	  -1.853379292246
H 	  -2.821200768259	  -1.204625468606	  -4.019137107172
O 	  -1.399273135536	  -5.033203450645	  -1.665422987614
S 	  -0.824670229423	  -5.155783461605	  -0.272351971085
O 	  -0.396444594307	  -6.494661591210	   0.078454846126
O 	   0.095508375558	  -4.042648284796	   0.046345571640
C 	  -2.306895185024	  -4.796786161053	   0.774338276044
F 	  -2.797272177197	  -3.603053492476	   0.473439532284
F 	  -3.242206278932	  -5.709578463400	   0.571844437184
F 	  -1.963013468610	  -4.809121388784	   2.052381153865
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 200), G = -3499.589894887855
Pd	   0.928518745219	  -3.177094406906	  -1.959874166810
P 	   3.235818887486	  -2.245461387362	  -1.465626022195
Cl	   4.244894392417	  -3.351587108492	  -1.674221249503
Cl	   3.231884531707	  -1.759751677958	  -0.033958779777
Cl	   3.463115007456	  -1.103350777849	  -2.430253316309
C 	  -1.504323605276	  -2.472379320788	  -5.175282047942
Cl	  -1.972998640404	  -1.717971367061	  -6.682658840834
C 	  -0.588355869217	  -3.513632843308	  -5.187835911844
C 	  -0.217237769140	  -4.121693244400	  -3.975615156417
C 	  -0.770310462456	  -3.624297393179	  -2.781037872837
C 	  -1.750370344544	  -2.610516923606	  -2.775065919414
C 	  -2.087069788235	  -2.016105421998	  -3.980209133769
H 	  -0.180766938754	  -3.881309079163	  -6.131294833515
H 	   0.398556360205	  -5.025108569097	  -3.979099359100
H 	  -2.214651084367	  -2.293134203143	  -1.840013794841
H 	  -2.808119170796	  -1.196767621499	  -4.003363455428
O 	  -1.389588719227	  -5.029886133897	  -1.674969061116
S 	  -0.825917465537	  -5.155362891479	  -0.277493658635
O 	  -0.402489376923	  -6.495452912974	   0.074277725659
O 	   0.092813037627	  -4.043230955645	   0.046659922101
C 	  -2.316968301349	  -4.798169211495	   0.757639271422
F 	  -2.801971671049	  -3.601656184598	   0.459443280134
F 	  -3.252144759685	  -5.707729352187	   0.540526116137
F 	  -1.985431852504	  -4.819264951502	   2.038756711117
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.3, θ = 210), G = -3499.587944620975
Pd	   0.949249115960	  -3.170406615401	  -1.953418468612
P 	   3.264651574597	  -2.229015022756	  -1.445802415525
Cl	   4.275447965484	  -3.333367754410	  -1.655360278067
Cl	   3.257341299988	  -1.745716796130	  -0.013391904459
Cl	   3.490882927070	  -1.085274847123	  -2.408750204264
C 	  -1.529961321797	  -2.487022593005	  -5.167889831679
Cl	  -2.034176817961	  -1.749989938348	  -6.672463812786
C 	  -0.617862553176	  -3.532418400303	  -5.190641396361
C 	  -0.223167339359	  -4.131269436049	  -3.982639515017
C 	  -0.747578307450	  -3.623459351394	  -2.779811512656
C 	  -1.720164482420	  -2.601850009723	  -2.762321215742
C 	  -2.082038154950	  -2.016196237838	  -3.964829582272
H 	  -0.234060452292	  -3.910920961560	  -6.139738190237
H 	   0.390641823567	  -5.035755753734	  -3.990656780987
H 	  -2.166426923796	  -2.277163136933	  -1.820992158291
H 	  -2.802064581111	  -1.195769483761	  -3.979128386514
O 	  -1.368913253301	  -5.029321693919	  -1.689035201772
S 	  -0.825469339706	  -5.153795673320	  -0.283150158024
O 	  -0.410263220648	  -6.494499443014	   0.075747277777
O 	   0.090306910229	  -4.042125839218	   0.048144224684
C 	  -2.332162424490	  -4.795247161754	   0.729299229688
F 	  -2.810196095867	  -3.597131695631	   0.426497760350
F 	  -3.265251925757	  -5.702555800546	   0.494182267937
F 	  -2.021879280149	  -4.820640293685	   2.015580699123
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 120), G = -3499.995389141199
Pd	   0.883865310981	  -3.174370898076	  -1.970363339527
P 	   3.164055610568	  -2.317170909329	  -1.491799379287
Cl	   4.197355197906	  -3.471006815782	  -1.714419073599
Cl	   3.211440661432	  -1.829838835039	  -0.005630486696
Cl	   3.469241162669	  -1.125852538414	  -2.459437175280
C 	  -1.484236238393	  -2.450245370398	  -5.188380402911
Cl	  -1.910880732429	  -1.674186443944	  -6.696617210452
C 	  -0.529401723826	  -3.453760653857	  -5.183066815572
C 	  -0.187209290329	  -4.073832325064	  -3.965680994369
C 	  -0.811993554812	  -3.617838452858	  -2.789997633165
C 	  -1.834438761875	  -2.649711942523	  -2.803471346578
C 	  -2.139789639721	  -2.045158158396	  -4.010824247049
H 	  -0.065247464211	  -3.784085736735	  -6.114037221987
H 	   0.456358937639	  -4.958367471540	  -3.962898119266
H 	  -2.341252635683	  -2.362660370584	  -1.881042616042
H 	  -2.886959418747	  -1.250297482317	  -4.050039413915
O 	  -1.390148599133	  -5.043191339588	  -1.652069823691
S 	  -0.808024890780	  -5.147403449627	  -0.261277266501
O 	  -0.371895154110	  -6.479758009461	   0.103628622203
O 	   0.112019040241	  -4.028087910430	   0.043003247056
C 	  -2.282664922520	  -4.776062370761	   0.791441973834
F 	  -2.778215579603	  -3.588615128245	   0.473867531619
F 	  -3.217353380035	  -5.694144996789	   0.612239435473
F 	  -1.927738792572	  -4.765266329788	   2.066302201989
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 130), G = -3499.995529687400
Pd	   0.884616304830	  -3.177800347157	  -1.969777730969
P 	   3.163032408922	  -2.313126245048	  -1.493164764073
Cl	   4.201476653944	  -3.462851402334	  -1.712957167716
Cl	   3.208815559308	  -1.820759232824	  -0.008614776556
Cl	   3.462188723568	  -1.123291861385	  -2.464537743769
C 	  -1.481546968567	  -2.449374849338	  -5.187692949300
Cl	  -1.906389729636	  -1.671587618283	  -6.695549867092
C 	  -0.530624889132	  -3.456721132955	  -5.183270526877
C 	  -0.189593882304	  -4.078055938396	  -3.966317395744
C 	  -0.811272729513	  -3.619612461407	  -2.789995764139
C 	  -1.830000196547	  -2.647558480858	  -2.802479699794
C 	  -2.134301506487	  -2.041755241576	  -4.009575573963
H 	  -0.068568482474	  -3.788736827792	  -6.114687381449
H 	   0.451268464334	  -4.964525298600	  -3.963936145524
H 	  -2.335040618086	  -2.358858179744	  -1.879578143021
H 	  -2.878575554620	  -1.244144750114	  -4.048036437532
O 	  -1.393735195915	  -5.043375290806	  -1.652008247938
S 	  -0.810512539398	  -5.149954529082	  -0.261900260017
O 	  -0.375291837582	  -6.483140505180	   0.101095940480
O 	   0.110776961148	  -4.031831669209	   0.042897447892
C 	  -2.283874030163	  -4.778504402073	   0.792531003258
F 	  -2.778810880851	  -3.590390887284	   0.476552683580
F 	  -3.219400440180	  -5.695738796619	   0.613347680221
F 	  -1.927750451962	  -4.769217991494	   2.067086266360
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 140), G = -3499.995667614824
Pd	   0.885917293384	  -3.181237743456	  -1.969107534873
P 	   3.163003723941	  -2.309020640116	  -1.494703722872
Cl	   4.206607499338	  -3.454420302346	  -1.712495282267
Cl	   3.207568691438	  -1.812091285418	  -0.011639414233
Cl	   3.455602098696	  -1.120323644121	  -2.469500902134
C 	  -1.479104492944	  -2.448892366333	  -5.186905613812
Cl	  -1.902606449738	  -1.669734613815	  -6.694432945062
C 	  -0.531916144765	  -3.459889276055	  -5.183395625153
C 	  -0.191725378378	  -4.082242854181	  -3.966832079448
C 	  -0.810140453568	  -3.621266053179	  -2.789817583588
C 	  -1.825349682693	  -2.645471584957	  -2.801281034947
C 	  -2.128942397850	  -2.038684252162	  -4.008153039978
H 	  -0.072139209704	  -3.793713937789	  -6.115313226034
H 	   0.446422113190	  -4.970640758437	  -3.964850090821
H 	  -2.328559213852	  -2.355101097046	  -1.877872126710
H 	  -2.870524308667	  -1.238513442752	  -4.045854054314
O 	  -1.396899612940	  -5.043608024424	  -1.651943530196
S 	  -0.813177440077	  -5.151961850099	  -0.262227214644
O 	  -0.378432678558	  -6.485712547406	   0.099357473147
O 	   0.108671893091	  -4.034495982145	   0.043181661637
C 	  -2.285885118899	  -4.780910623456	   0.793244989829
F 	  -2.780691009555	  -3.592431320223	   0.478485302807
F 	  -3.221728794641	  -5.697798293517	   0.613850593938
F 	  -1.929085783598	  -4.772751446128	   2.067635446016
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 150), G = -3499.995781625806
Pd	   0.887948350430	  -3.184309113737	  -1.968165904601
P 	   3.163871003195	  -2.303686932502	  -1.495332720890
Cl	   4.212948820764	  -3.444322719457	  -1.711578598725
Cl	   3.206906992609	  -1.802728152871	  -0.013593551166
Cl	   3.449551049399	  -1.115676690287	  -2.473056772899
C 	  -1.477412144213	  -2.449107540501	  -5.186086185533
Cl	  -1.900589482379	  -1.669236565447	  -6.693335689497
C 	  -0.534770344938	  -3.464524984806	  -5.183846870468
C 	  -0.194677421917	  -4.087477779054	  -3.967749812384
C 	  -0.808122428344	  -3.622921566156	  -2.789636477550
C 	  -1.818899137840	  -2.642458691189	  -2.799624710284
C 	  -2.122629083357	  -2.035088027793	  -4.006295865438
H 	  -0.078544091712	  -3.801027095157	  -6.116549801302
H 	   0.440333955843	  -4.978068688874	  -3.966207065949
H 	  -2.319271580940	  -2.349667519443	  -1.875421799503
H 	  -2.860986502124	  -1.231886332642	  -4.042905665181
O 	  -1.399807744284	  -5.043512251502	  -1.652395008529
S 	  -0.816028377475	  -5.154070188950	  -0.262916128042
O 	  -0.382096694533	  -6.488531258926	   0.097073156736
O 	   0.106422002924	  -4.037445570278	   0.043436018199
C 	  -2.288411402129	  -4.783577211997	   0.793209778555
F 	  -2.782748457651	  -3.594515296662	   0.480020675685
F 	  -3.224653604090	  -5.699869721058	   0.612813113457
F 	  -1.931448534588	  -4.777204040262	   2.067576331617
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 160), G = -3499.995827716829
Pd	   0.891217572983	  -3.186869452880	  -1.967136146025
P 	   3.166083715964	  -2.296714843222	  -1.493879700895
Cl	   4.221221827474	  -3.432101027435	  -1.708043824094
Cl	   3.206232638607	  -1.791982850514	  -0.013337010693
Cl	   3.444952905311	  -1.109103258957	  -2.474107826562
C 	  -1.477267054855	  -2.450501432031	  -5.185503517349
Cl	  -1.902090629518	  -1.671302369966	  -6.692639274638
C 	  -0.540424773837	  -3.471549150320	  -5.185079190207
C 	  -0.199076103431	  -4.094251501113	  -3.969515434449
C 	  -0.804772438790	  -3.624347216414	  -2.789640807584
C 	  -1.809631425294	  -2.637660049223	  -2.797444115787
C 	  -2.114989362610	  -2.030510723828	  -4.003989039599
H 	  -0.089914575359	  -3.812286727310	  -6.119033147125
H 	   0.432111066190	  -4.987479355511	  -3.968456379975
H 	  -2.305411624447	  -2.341099840191	  -1.871937739059
H 	  -2.849269077668	  -1.223498284211	  -4.039002504031
O 	  -1.402440121556	  -5.042367268033	  -1.653760615539
S 	  -0.818915673242	  -5.156067241134	  -0.264430197867
O 	  -0.386027777983	  -6.491513493970	   0.093196146106
O 	   0.104104454902	  -4.040494478116	   0.043478274488
C 	  -2.291298614740	  -4.786787699443	   0.792138673911
F 	  -2.784931963503	  -3.596854705564	   0.481316639836
F 	  -3.227941419976	  -5.702259213745	   0.609626948568
F 	  -1.934636401973	  -4.783311756398	   2.066610234824
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 170), G = -3499.995745317193
Pd	   0.896290716416	  -3.188907656870	  -1.965619480207
P 	   3.170607418556	  -2.288081445762	  -1.490665780071
Cl	   4.232242024973	  -3.417748053396	  -1.702718996749
Cl	   3.207309782638	  -1.779703614362	  -0.011300633338
Cl	   3.442257156990	  -1.100753111171	  -2.473279570618
C 	  -1.479051353083	  -2.453264846942	  -5.184689244452
Cl	  -1.908215828365	  -1.676348587262	  -6.691779190435
C 	  -0.548879267753	  -3.480782734472	  -5.186771742515
C 	  -0.204455269645	  -4.102272094905	  -3.971885988533
C 	  -0.799552019880	  -3.625503851895	  -2.789518732031
C 	  -1.797333510008	  -2.631400774835	  -2.794270809772
C 	  -2.106294870661	  -2.025386993353	  -4.000678274815
H 	  -0.106383573102	  -3.827175599214	  -6.122508158008
H 	   0.422435224885	  -4.998425143292	  -3.971482285805
H 	  -2.286693973299	  -2.329900570154	  -1.866893450081
H 	  -2.835970317266	  -1.214081136865	  -4.033449484118
O 	  -1.403981373111	  -5.040670931890	  -1.656200699725
S 	  -0.821944407036	  -5.157821358181	  -0.266503799485
O 	  -0.390390706652	  -6.494333810079	   0.088803547222
O 	   0.101263964342	  -4.043255653781	   0.043665971960
C 	  -2.295465991575	  -4.790312525232	   0.789177600193
F 	  -2.788203266714	  -3.599408508216	   0.480835992820
F 	  -3.232198850029	  -5.704974019831	   0.603022153304
F 	  -1.940506567968	  -4.790400917585	   2.064141501545
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 180), G = -3499.995436832147
Pd	   0.903789877183	  -3.189356144091	  -1.963450457226
P 	   3.178197952466	  -2.276951071336	  -1.483971946865
Cl	   4.246150595090	  -3.400948621434	  -1.694170459531
Cl	   3.210527006523	  -1.766225392694	  -0.005334202313
Cl	   3.443518688986	  -1.089222205386	  -2.467862123264
C 	  -1.484397523644	  -2.458131563127	  -5.183424977461
Cl	  -1.922351893617	  -1.685675105778	  -6.690293719526
C 	  -0.561923794948	  -3.493063751613	  -5.189284195354
C 	  -0.211378223340	  -4.112112384444	  -3.975554495382
C 	  -0.791449400209	  -3.626628718245	  -2.789510800642
C 	  -1.780659107093	  -2.623684328751	  -2.789713078067
C 	  -2.096603700415	  -2.020032292283	  -3.995774390010
H 	  -0.130830880385	  -3.846723169591	  -6.127616425761
H 	   0.410850453221	  -5.011360989969	  -3.976280449126
H 	  -2.260838866188	  -2.315920991024	  -1.859577300615
H 	  -2.821124679626	  -1.203989538099	  -4.025121417039
O 	  -1.402988306119	  -5.038513549101	  -1.660681562164
S 	  -0.824623825543	  -5.159531575048	  -0.269693389242
O 	  -0.395780381304	  -6.497400320316	   0.083742815198
O 	   0.098843355150	  -4.046421303715	   0.043637436466
C 	  -2.300862366207	  -4.793378445223	   0.782823851747
F 	  -2.791348380264	  -3.600963790153	   0.477002451431
F 	  -3.237963681434	  -5.706424970835	   0.590678677840
F 	  -1.949867775636	  -4.798253717295	   2.058860603195
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 190), G = -3499.994719165376
Pd	   0.914534367932	  -3.187636935009	  -1.960175276819
P 	   3.190219211525	  -2.263242524507	  -1.473182878424
Cl	   4.263553800355	  -3.382420949439	  -1.681471318189
Cl	   3.217725895868	  -1.751043284619	   0.005015438085
Cl	   3.450812976637	  -1.075012133105	  -2.457747849043
C 	  -1.494482185890	  -2.465495258386	  -5.181203463310
Cl	  -1.947470432743	  -1.700615334201	  -6.687514475620
C 	  -0.580077415800	  -3.508186611973	  -5.192376193657
C 	  -0.219267612012	  -4.123105082804	  -3.980444430911
C 	  -0.779576746477	  -3.627342701925	  -2.789415055645
C 	  -1.759174336783	  -2.614598321224	  -2.783315054274
C 	  -2.086562808755	  -2.014927199894	  -3.988645522915
H 	  -0.164250592103	  -3.870724952785	  -6.134202288850
H 	   0.398245385826	  -5.025401347446	  -3.983003274731
H 	  -2.227147203226	  -2.299466256042	  -1.849409682392
H 	  -2.805960950365	  -1.194218390444	  -4.013160671556
O 	  -1.398345529570	  -5.035947675738	  -1.667827228034
S 	  -0.826858215875	  -5.161008043216	  -0.274206661684
O 	  -0.402393866479	  -6.500486501220	   0.078290324906
O 	   0.096737895103	  -4.049756107135	   0.043493377859
C 	  -2.308214369148	  -4.795776929076	   0.771711407620
F 	  -2.794522333973	  -3.601021692117	   0.468662587474
F 	  -3.245983729138	  -5.706035768534	   0.569871429201
F 	  -1.964656062232	  -4.807443938859	   2.049687207478
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 200), G = -3499.993425151403
Pd	   0.929350668505	  -3.182989905623	  -1.955481949654
P 	   3.208832767671	  -2.248229463614	  -1.458302449352
Cl	   4.285156450596	  -3.364851644474	  -1.664775153890
Cl	   3.232056988169	  -1.735348813713	   0.019696220367
Cl	   3.467572098914	  -1.059834741119	  -2.443162817537
C 	  -1.511182843163	  -2.476151641151	  -5.177312973997
Cl	  -1.987895856257	  -1.723485374190	  -6.682503350822
C 	  -0.602857989727	  -3.524818293674	  -5.195278709305
C 	  -0.226167902677	  -4.133051222274	  -3.985865199928
C 	  -0.763317256523	  -3.626873400219	  -2.788775397762
C 	  -1.734464842214	  -2.605503728797	  -2.774837817142
C 	  -2.079003898000	  -2.012155779315	  -3.978848621641
H 	  -0.205749236941	  -3.897214901337	  -6.141311209370
H 	   0.387695910987	  -5.037610052143	  -3.991117488172
H 	  -2.188120940585	  -2.282974309579	  -1.836395559158
H 	  -2.795230235839	  -1.188523062925	  -3.997261222958
O 	  -1.387568647656	  -5.033399295129	  -1.677930942805
S 	  -0.827859835693	  -5.161263945592	  -0.279566408843
O 	  -0.409703232080	  -6.502255111600	   0.074517936245
O 	   0.095182676072	  -4.051827108473	   0.043733183842
C 	  -2.318110696999	  -4.796013588874	   0.754103513725
F 	  -2.797697196290	  -3.598060409863	   0.453235712600
F 	  -3.256604603465	  -5.702142473802	   0.537576248511
F 	  -1.987427204144	  -4.816335672074	   2.035294903330
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.4, θ = 210), G = -3499.991386001815
Pd	   0.950237438408	  -3.175099808286	  -1.948878642657
P 	   3.237389128897	  -2.233089162009	  -1.438614054984
Cl	   4.313657736572	  -3.349789264408	  -1.644851412605
Cl	   3.257853040409	  -1.721488905254	   0.039814543275
Cl	   3.497187197762	  -1.044223177682	  -2.422605534417
C 	  -1.537389311339	  -2.490891946019	  -5.169622471820
Cl	  -2.050249917931	  -1.756462139634	  -6.672001679483
C 	  -0.631386254753	  -3.542174748892	  -5.197142202992
C 	  -0.230782448624	  -4.140548864016	  -3.991770241262
C 	  -0.740879282320	  -3.624955999148	  -2.787028600696
C 	  -1.706228640651	  -2.597501427296	  -2.762488108688
C 	  -2.075984948457	  -2.013363694078	  -3.963840605498
H 	  -0.257338566736	  -3.925001685710	  -6.148345247801
H 	   0.381435985207	  -5.045943263642	  -4.001420761816
H 	  -2.143191796484	  -2.268519415690	  -1.818335492898
H 	  -2.792463450850	  -1.189823289033	  -3.973975891595
O 	  -1.365950239771	  -5.032631387765	  -1.692204933033
S 	  -0.826618121104	  -5.159531064088	  -0.285477076020
O 	  -0.417407147092	  -6.501242983037	   0.075836709970
O 	   0.093994736282	  -4.051048111893	   0.044950742317
C 	  -2.332364620066	  -4.792290584693	   0.725323674358
F 	  -2.803662972053	  -3.592042895068	   0.420691119458
F 	  -3.269520982834	  -5.695014038297	   0.489717992337
F 	  -2.023451419816	  -4.818236083910	   2.011698622838
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 120), G = -3500.304381137654
Pd	   0.872700679060	  -3.164854316373	  -1.949577757851
P 	   3.136902965720	  -2.330554714767	  -1.504026702018
Cl	   4.199222600585	  -3.551834933202	  -1.629244129428
Cl	   3.231313085308	  -1.702905959554	  -0.009852891338
Cl	   3.528178784787	  -1.180937693556	  -2.581639662806
C 	  -1.487717704496	  -2.441312563445	  -5.183973081764
Cl	  -1.915324226421	  -1.664285604590	  -6.690780344928
C 	  -0.523126918472	  -3.435714144445	  -5.178599495878
C 	  -0.180550901159	  -4.057059580953	  -3.962373227036
C 	  -0.813186248721	  -3.608786288467	  -2.789195905564
C 	  -1.844929392380	  -2.652215300371	  -2.800932711374
C 	  -2.151998318194	  -2.047151844070	  -4.007937326483
H 	  -0.052044240398	  -3.758317753211	  -6.108739591513
H 	   0.473285164281	  -4.934019276006	  -3.959231586122
H 	  -2.356897342512	  -2.372586257721	  -1.879184416470
H 	  -2.907003245176	  -1.259793603968	  -4.047254401953
O 	  -1.383036085707	  -5.054146674038	  -1.652204342362
S 	  -0.808350245953	  -5.154941480660	  -0.259303320234
O 	  -0.365720308204	  -6.483563375049	   0.110784538454
O 	   0.105642271323	  -4.029535482541	   0.046557480400
C 	  -2.287871214188	  -4.788201740635	   0.788333324330
F 	  -2.786508390281	  -3.602842718238	   0.467881980542
F 	  -3.218209479036	  -5.709918004670	   0.605600873344
F 	  -1.937886147112	  -4.775434629036	   2.064323144340
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 130), G = -3500.304514905175
Pd	   0.880088960124	  -3.174707721468	  -1.959748048919
P 	   3.134258998115	  -2.324094128581	  -1.491238224652
Cl	   4.231916549362	  -3.490389641504	  -1.756844963738
Cl	   3.241739252370	  -1.841435793613	   0.055001626726
Cl	   3.463811863369	  -1.062035182037	  -2.457949866631
C 	  -1.487067165896	  -2.455617736957	  -5.193158307780
Cl	  -1.917009169084	  -1.684369504001	  -6.702273763838
C 	  -0.535031297652	  -3.462477545994	  -5.188172792399
C 	  -0.190755191149	  -4.079849940563	  -3.970850900547
C 	  -0.808200787703	  -3.616089239692	  -2.795795443478
C 	  -1.826883462591	  -2.645344954049	  -2.806199280414
C 	  -2.136264889692	  -2.044437507877	  -4.014877900735
H 	  -0.074997633467	  -3.797063067354	  -6.119609905325
H 	   0.455011781768	  -4.962671468179	  -3.965910817520
H 	  -2.328800872025	  -2.354026627601	  -1.882481322294
H 	  -2.882076852514	  -1.248324489914	  -4.053586754238
O 	  -1.390560601567	  -5.045914947010	  -1.649977322392
S 	  -0.811788260496	  -5.147633719973	  -0.258566673805
O 	  -0.371941425921	  -6.477343107420	   0.110948070493
O 	   0.105738158149	  -4.024471890363	   0.043335448606
C 	  -2.287221715533	  -4.775716388662	   0.792868659514
F 	  -2.784812161386	  -3.590433479524	   0.470846139302
F 	  -3.219682375300	  -5.696410406015	   0.616087304303
F 	  -1.932586558637	  -4.760055451206	   2.067585486039
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 140), G = -3500.304643502852
Pd	   0.881477313234	  -3.181187744569	  -1.957533822633
P 	   3.133412153958	  -2.318455962707	  -1.495813114140
Cl	   4.237788568380	  -3.484385190193	  -1.733511749877
Cl	   3.233627340763	  -1.802091493073	   0.039990206556
Cl	   3.459448020282	  -1.075587314184	  -2.488270962974
C 	  -1.482332721975	  -2.452037198035	  -5.190223740218
Cl	  -1.909166789472	  -1.676653636123	  -6.698099351755
C 	  -0.535561849371	  -3.464001532541	  -5.187181869641
C 	  -0.193322932756	  -4.084426067012	  -3.970947951941
C 	  -0.807050192120	  -3.618608721378	  -2.794832692815
C 	  -1.820900843021	  -2.642817724887	  -2.803220328956
C 	  -2.128379300438	  -2.038905044620	  -4.011015701837
H 	  -0.078024889509	  -3.799814874561	  -6.119418536013
H 	   0.448602214809	  -4.970017115843	  -3.967281698006
H 	  -2.320822877519	  -2.350318844272	  -1.878773788269
H 	  -2.870339612365	  -1.239116051135	  -4.048162137852
O 	  -1.395727606691	  -5.047904275654	  -1.650090749802
S 	  -0.816011740097	  -5.153103561268	  -0.259483509864
O 	  -0.377489900240	  -6.484003961180	   0.107422033343
O 	   0.103185212631	  -4.031603949945	   0.043753331044
C 	  -2.290220957683	  -4.781429854617	   0.793727538251
F 	  -2.786754710914	  -3.595010935089	   0.474315377709
F 	  -3.223794780468	  -5.700804225306	   0.615823973640
F 	  -1.934753976771	  -4.768628661362	   2.068259692323
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 150), G = -3500.304759118106
Pd	   0.884168564709	  -3.186727410543	  -1.956250569757
P 	   3.133670569081	  -2.311371176971	  -1.497105651321
Cl	   4.247270372078	  -3.468997226470	  -1.732031767686
Cl	   3.231441076075	  -1.787956002261	   0.036454866600
Cl	   3.448060796319	  -1.069542356958	  -2.494644801874
C 	  -1.479162768602	  -2.451895392850	  -5.188844788625
Cl	  -1.904898036424	  -1.674780987522	  -6.696140662255
C 	  -0.538944863101	  -3.470206881259	  -5.187683302656
C 	  -0.197323669275	  -4.092015891994	  -3.972220872273
C 	  -0.804435948418	  -3.621519623743	  -2.794627067538
C 	  -1.811901741914	  -2.639037642559	  -2.800865843827
C 	  -2.119065645858	  -2.033778397871	  -4.008237404697
H 	  -0.086089374665	  -3.809432362400	  -6.120992138386
H 	   0.440106375492	  -4.980787715664	  -3.969316832779
H 	  -2.307995898733	  -2.343345095585	  -1.875337672554
H 	  -2.856309882090	  -1.229548799040	  -4.043778013172
O 	  -1.400363750752	  -5.048272338320	  -1.650552461373
S 	  -0.820264736858	  -5.156839215689	  -0.260432402024
O 	  -0.383811242234	  -6.489049687870	   0.104274693216
O 	   0.100804211244	  -4.037254416369	   0.043926235494
C 	  -2.293524137022	  -4.784636124395	   0.793928228564
F 	  -2.788431525130	  -3.596964735728	   0.476730074504
F 	  -3.228490877271	  -5.702375469051	   0.614795936779
F 	  -1.937622723996	  -4.774578988446	   2.068382663934
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 160), G = -3500.304810507776
Pd	   0.888386353636	  -3.189321250470	  -1.957133223517
P 	   3.135975053746	  -2.304348760158	  -1.492182860493
Cl	   4.256931627172	  -3.455657475681	  -1.722813206140
Cl	   3.225778918220	  -1.778729637444	   0.041105399292
Cl	   3.446046539073	  -1.061383944647	  -2.489661566442
C 	  -1.480815297717	  -2.453680197819	  -5.189004800488
Cl	  -1.909770371050	  -1.677671701106	  -6.695957360711
C 	  -0.547726191716	  -3.478857495166	  -5.190543738845
C 	  -0.203687129893	  -4.100209797858	  -3.975914409020
C 	  -0.800470975842	  -3.623053785397	  -2.795868320469
C 	  -1.800517586384	  -2.632829691436	  -2.798889294280
C 	  -2.110573956920	  -2.028018906927	  -4.005945492227
H 	  -0.102516872296	  -3.823324741952	  -6.125614122325
H 	   0.429115921261	  -4.992187746421	  -3.973928480046
H 	  -2.290195268453	  -2.332322764779	  -1.871466561973
H 	  -2.842761305970	  -1.219079579357	  -4.039125975799
O 	  -1.402573309352	  -5.046045336334	  -1.653000256982
S 	  -0.822215015758	  -5.158556238878	  -0.263224533790
O 	  -0.386866635244	  -6.492032332926	   0.098175513156
O 	   0.099580027046	  -4.040280486137	   0.042858379331
C 	  -2.295146456432	  -4.787956729574	   0.792165089882
F 	  -2.789707741681	  -3.599509246001	   0.477564424365
F 	  -3.230366040067	  -5.705081927587	   0.611250012936
F 	  -1.939019142720	  -4.780774165496	   2.066585830866
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 170), G = -3500.304729417177
Pd	   0.894297082210	  -3.191683958698	  -1.956734778813
P 	   3.140615866640	  -2.294949394636	  -1.486643881066
Cl	   4.269834611290	  -3.438421935512	  -1.715713025324
Cl	   3.224321539904	  -1.768059904238	   0.046559312537
Cl	   3.443081027465	  -1.049852201381	  -2.483844358931
C 	  -1.483686248760	  -2.457026867520	  -5.188395424694
Cl	  -1.918082548380	  -1.683338344692	  -6.694990847164
C 	  -0.558641544463	  -3.489896108108	  -5.193255370570
C 	  -0.210678943811	  -4.110111503386	  -3.979675523454
C 	  -0.794470468679	  -3.624975727279	  -2.796545963279
C 	  -1.785967731378	  -2.625932160210	  -2.795602496914
C 	  -2.100619291346	  -2.022241461526	  -4.002277306597
H 	  -0.123139810233	  -3.840748443902	  -6.130537040503
H 	   0.416961307322	  -5.005605666343	  -3.978796707206
H 	  -2.267667854644	  -2.319698143456	  -1.865837719827
H 	  -2.827218621925	  -1.208153327498	  -4.032493932963
O 	  -1.403678483346	  -5.044111214562	  -1.656337028565
S 	  -0.824944797677	  -5.160752038891	  -0.266130055542
O 	  -0.392247614378	  -6.495782898951	   0.092710759785
O 	   0.097997613686	  -4.044393945020	   0.042307785878
C 	  -2.298730035429	  -4.790709389639	   0.788351615068
F 	  -2.791481735690	  -3.600943328987	   0.476102766555
F 	  -3.234747356056	  -5.706327285327	   0.603966470812
F 	  -1.944220819670	  -4.787198689797	   2.063243197058
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 180), G = -3500.304363595646
Pd	   0.902566583486	  -3.192175914082	  -1.955627377593
P 	   3.148768459425	  -2.283146828134	  -1.477895742164
Cl	   4.285610314318	  -3.419054433378	  -1.706688958210
Cl	   3.226397619507	  -1.756952107160	   0.055861254992
Cl	   3.444205552263	  -1.034987094822	  -2.473406564748
C 	  -1.490183675848	  -2.462689191390	  -5.187338218971
Cl	  -1.934606066391	  -1.693856276798	  -6.693518169652
C 	  -0.573807978052	  -3.503798795564	  -5.196520007654
C 	  -0.218824622247	  -4.121401377475	  -3.984344412678
C 	  -0.785674623460	  -3.626608710818	  -2.797160365221
C 	  -1.767548287975	  -2.617762597545	  -2.791065931697
C 	  -2.090146655129	  -2.016616205128	  -3.997213225794
H 	  -0.151159950275	  -3.862598719442	  -6.136687098864
H 	   0.403377399089	  -5.020518693649	  -3.984936116413
H 	  -2.238770708778	  -2.304611819987	  -1.858202536110
H 	  -2.810916457954	  -1.197222490141	  -4.023512677862
O 	  -1.402110741014	  -5.041617005994	  -1.661576892603
S 	  -0.827319689764	  -5.162603832506	  -0.269939138183
O 	  -0.398490560847	  -6.499404422057	   0.086906429805
O 	   0.096633479038	  -4.048467265379	   0.041810907111
C 	  -2.303727740373	  -4.792896316004	   0.781177271784
F 	  -2.793518179217	  -3.601370078784	   0.471220783240
F 	  -3.240625654526	  -5.706401832770	   0.590910916706
F 	  -1.953242672626	  -4.794151930550	   2.057176317056
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 190), G = -3500.303553555995
Pd	   0.913487433440	  -3.190135518325	  -1.953240357053
P 	   3.162009629119	  -2.269692395250	  -1.466018532222
Cl	   4.304316708485	  -3.400302316223	  -1.693566676071
Cl	   3.233954428699	  -1.743675754036	   0.068046691569
Cl	   3.452933214613	  -1.019705730504	  -2.460558855912
C 	  -1.501390498452	  -2.470670001349	  -5.185275318836
Cl	  -1.961841377831	  -1.710047031091	  -6.690854384344
C 	  -0.592538546762	  -3.518948492976	  -5.199663616399
C 	  -0.226631681335	  -4.132028063298	  -3.989284393827
C 	  -0.773838151526	  -3.627181885958	  -2.797272594235
C 	  -1.746678383224	  -2.609184825580	  -2.785088585272
C 	  -2.081251163829	  -2.012359455911	  -3.990426986771
H 	  -0.185308300681	  -3.886568560087	  -6.143228384363
H 	   0.390732213560	  -5.034283412204	  -3.991820213727
H 	  -2.205821573614	  -2.288928937666	  -1.848594194751
H 	  -2.797410531964	  -1.188793180067	  -4.012005810591
O 	  -1.396812204488	  -5.038684965650	  -1.669125627628
S 	  -0.829121464011	  -5.164006711296	  -0.274729379441
O 	  -0.405831135664	  -6.502798625268	   0.081157813286
O 	   0.095750919286	  -4.052492783350	   0.041494535893
C 	  -2.310473450875	  -4.794096025256	   0.769671147982
F 	  -2.795039702476	  -3.599750029783	   0.462615265666
F 	  -3.248807596143	  -5.704004722286	   0.569544616919
F 	  -1.967503641671	  -4.802574516149	   2.047654286408
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 200), G = -3500.302198058370
Pd	   0.928102236158	  -3.184824486786	  -1.949145523405
P 	   3.182235761904	  -2.255221982394	  -1.450166313730
Cl	   4.326912151615	  -3.383735694118	  -1.676019549974
Cl	   3.249365786833	  -1.729546937234	   0.084189721555
Cl	   3.472246748453	  -1.004502903743	  -2.444025645481
C 	  -1.519164135968	  -2.481837980272	  -5.181526877100
Cl	  -2.004130819153	  -1.734275810641	  -6.686017001310
C 	  -0.615408926730	  -3.535112203732	  -5.202297118046
C 	  -0.233163540748	  -4.140957829090	  -3.994328105470
C 	  -0.757966597707	  -3.626142560705	  -2.796607454618
C 	  -1.723424149150	  -2.600607123667	  -2.777189931613
C 	  -2.075445068408	  -2.010586935478	  -3.981199388886
H 	  -0.226600082009	  -3.912429545764	  -6.149779323694
H 	   0.380615231679	  -5.045433301714	  -3.999484210317
H 	  -2.168976485785	  -2.273464781283	  -1.836509381888
H 	  -2.789318845248	  -1.184915329042	  -3.997058244404
O 	  -1.385600582920	  -5.035460180835	  -1.679636050609
S 	  -0.829749268141	  -5.164221770349	  -0.280492425102
O 	  -0.414101495511	  -6.505018924649	   0.076641558215
O 	   0.095582692105	  -4.055501344807	   0.041538940033
C 	  -2.319656855502	  -4.793159445946	   0.751732332941
F 	  -2.796030246877	  -3.594867938445	   0.447485591052
F 	  -3.259772080293	  -5.697721184454	   0.536366485580
F 	  -1.989666285942	  -4.811367744402	   2.032958362553
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.5, θ = 210), G = -3500.300057708180
Pd	   0.948677269450	  -3.176336475905	  -1.943235662140
P 	   3.212865150073	  -2.242676177360	  -1.430622841635
Cl	   4.356011807717	  -3.372776935197	  -1.656117648116
Cl	   3.277253839638	  -1.718902740197	   0.104445669706
Cl	   3.505778069623	  -0.991527613469	  -2.423064960657
C 	  -1.546213234062	  -2.496436117635	  -5.173796295165
Cl	  -2.067499939528	  -1.767631485890	  -6.675419170903
C 	  -0.642637133890	  -3.550316323790	  -5.203445171861
C 	  -0.236403117647	  -4.145809379574	  -3.999276258509
C 	  -0.736519351059	  -3.623002090057	  -2.794503077894
C 	  -1.698559225969	  -2.593657873427	  -2.765443201869
C 	  -2.075631489077	  -2.013286087707	  -3.966782588707
H 	  -0.275440674173	  -3.937229745778	  -6.155603223962
H 	   0.376453515257	  -5.050649594470	  -4.008674567069
H 	  -2.129149100681	  -2.261244241608	  -1.819612694626
H 	  -2.791472023151	  -1.189225060714	  -3.974977176194
O 	  -1.362814591258	  -5.034257538748	  -1.693878794331
S 	  -0.827705813482	  -5.160943456496	  -0.286120437508
O 	  -0.420073207284	  -6.501999764211	   0.078766333638
O 	   0.094129332834	  -4.052299695723	   0.043048969594
C 	  -2.333761778661	  -4.788901110177	   0.722575128351
F 	  -2.803553955904	  -3.589403335687	   0.413029345906
F 	  -3.271157422227	  -5.691769197127	   0.489092414931
F 	  -2.025691783885	  -4.810631898613	   2.009046355315
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 120), G = -3500.531171115118
Pd	   0.870332048467	  -3.168127102513	  -1.951592272825
P 	   3.106632480521	  -2.336231242127	  -1.481878282146
Cl	   4.234768751897	  -3.591524637930	  -1.520661316819
Cl	   3.198637722875	  -1.616477055593	   0.042322899349
Cl	   3.589888258810	  -1.183391487825	  -2.616618916782
C 	  -1.506723853055	  -2.442856941120	  -5.190782909261
Cl	  -1.947823047291	  -1.669360715107	  -6.694767206973
C 	  -0.548303057526	  -3.444126991602	  -5.193944996549
C 	  -0.195914845121	  -4.064576649675	  -3.981214770872
C 	  -0.810433951431	  -3.607446320734	  -2.803421283647
C 	  -1.834141599680	  -2.643447727669	  -2.803070280128
C 	  -2.153037364807	  -2.040170461572	  -4.008507207435
H 	  -0.089779554041	  -3.771975360947	  -6.128432927610
H 	   0.458868246211	  -4.940661134735	  -3.981083455060
H 	  -2.333292516037	  -2.358837850514	  -1.875888797858
H 	  -2.904311312167	  -1.248982796887	  -4.040720424689
O 	  -1.382260228952	  -5.055413104085	  -1.660239162647
S 	  -0.804161449106	  -5.164773318302	  -0.270070382535
O 	  -0.367398402987	  -6.496111125169	   0.096339215891
O 	   0.118958950060	  -4.044830195009	   0.032253578758
C 	  -2.275465154471	  -4.788678749624	   0.785929553597
F 	  -2.767622563895	  -3.600062231668	   0.467992072277
F 	  -3.212370378040	  -5.704361624875	   0.607779472617
F 	  -1.918162037577	  -4.778489114258	   2.059708247633
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 130), G = -3500.531352463375
Pd	   0.871583886102	  -3.173876565736	  -1.950576922028
P 	   3.104301235438	  -2.330211093062	  -1.483050826799
Cl	   4.243855244716	  -3.574841170960	  -1.529930499405
Cl	   3.195267852138	  -1.613683456237	   0.042735656071
Cl	   3.572230719809	  -1.169442882577	  -2.616155056375
C 	  -1.502125910664	  -2.442793109797	  -5.190267205972
Cl	  -1.940383889143	  -1.667142207651	  -6.693975643526
C 	  -0.550041637384	  -3.450293194171	  -5.194418715664
C 	  -0.199538700430	  -4.072290304606	  -3.982129092409
C 	  -0.809088105902	  -3.610759452698	  -2.803521258466
C 	  -1.826743985264	  -2.640345156123	  -2.802010448879
C 	  -2.143909857170	  -2.035496173361	  -4.007277807273
H 	  -0.094906746140	  -3.781291559194	  -6.129464821025
H 	   0.450932772621	  -4.951534910591	  -3.982271601440
H 	  -2.323092863062	  -2.352699268220	  -1.874230391848
H 	  -2.890509997075	  -1.239853350626	  -4.038620658744
O 	  -1.388302214734	  -5.055691888659	  -1.659917497993
S 	  -0.808407818457	  -5.169107557620	  -0.270905077926
O 	  -0.375203545016	  -6.502320857205	   0.092997812006
O 	   0.118664869199	  -4.052505507099	   0.031651602168
C 	  -2.276989166674	  -4.790001107670	   0.787772566522
F 	  -2.766456080009	  -3.599812726316	   0.471604138949
F 	  -3.216594057041	  -5.703063534521	   0.610375986555
F 	  -1.917656863192	  -4.781856904846	   2.061016209778
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 140), G = -3500.531523979145
Pd	   0.873621585159	  -3.179383790947	  -1.949997887638
P 	   3.102701787527	  -2.323794926552	  -1.483184400380
Cl	   4.253390864832	  -3.557908637439	  -1.535306123158
Cl	   3.190733068108	  -1.608754716678	   0.043476040549
Cl	   3.556902482102	  -1.156542868361	  -2.615265799252
C 	  -1.498482025995	  -2.443133291292	  -5.189951980834
Cl	  -1.934938861413	  -1.665966828776	  -6.693405147297
C 	  -0.553380525897	  -3.457427285899	  -5.195447721915
C 	  -0.204038074792	  -4.080598235072	  -3.983662804032
C 	  -0.807143314596	  -3.613797395459	  -2.803883361412
C 	  -1.817980229497	  -2.636213768540	  -2.800768950956
C 	  -2.134240527457	  -2.030200093103	  -4.005864613247
H 	  -0.102769145185	  -3.792298419748	  -6.131321777081
H 	   0.441671796906	  -4.963289083207	  -3.984190783332
H 	  -2.310574757792	  -2.344864953281	  -1.872107275663
H 	  -2.875738510610	  -1.229742306675	  -4.036026240947
O 	  -1.394130017911	  -5.055104037727	  -1.659978124454
S 	  -0.812418394377	  -5.172896772905	  -0.272140279569
O 	  -0.382144166974	  -6.507925818574	   0.088675912710
O 	   0.117976276609	  -4.059273103512	   0.030999302366
C 	  -2.278555297664	  -4.792049854132	   0.789270770053
F 	  -2.765991024739	  -3.600455440531	   0.475356351336
F 	  -3.220297477584	  -5.702970181091	   0.612153156100
F 	  -1.917290366101	  -4.786322130057	   2.062002184332
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 150), G = -3500.531670770481
Pd	   0.876166877424	  -3.184575296070	  -1.950114385848
P 	   3.099528950966	  -2.312649025716	  -1.479084070328
Cl	   4.262262999778	  -3.535757589343	  -1.520675968772
Cl	   3.174198340340	  -1.588676299250	   0.044073576202
Cl	   3.546658085624	  -1.146468707233	  -2.615102828298
C 	  -1.496629353148	  -2.444306269595	  -5.190054686223
Cl	  -1.932895887627	  -1.666300203237	  -6.693139360475
C 	  -0.561727119156	  -3.468419675904	  -5.198092833806
C 	  -0.212361721336	  -4.092458369503	  -3.987239420269
C 	  -0.804336316428	  -3.617590638237	  -2.805105411742
C 	  -1.804790634769	  -2.629212785465	  -2.798972518010
C 	  -2.121521512622	  -2.022259828890	  -4.003777713183
H 	  -0.119109044054	  -3.809480287329	  -6.135565518869
H 	   0.426683763374	  -4.979872492193	  -3.988548398808
H 	  -2.290752218264	  -2.331940042373	  -1.868646532373
H 	  -2.855514553347	  -1.214823531217	  -4.031651089135
O 	  -1.401590160775	  -5.053606375857	  -1.662491683207
S 	  -0.816310679574	  -5.181528878821	  -0.277023707283
O 	  -0.395339815848	  -6.521297247567	   0.077331481616
O 	   0.123702449874	  -4.076416994027	   0.026992334068
C 	  -2.276504961386	  -4.793677031986	   0.790106007933
F 	  -2.756467462275	  -3.597694158914	   0.481339091530
F 	  -3.225114871630	  -5.697466507296	   0.613092480065
F 	  -1.911350012492	  -4.794435703526	   2.061781601494
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 160), G = -3500.531715421862
Pd	   0.880507808431	  -3.189663904661	  -1.949657954655
P 	   3.099111820147	  -2.301266791211	  -1.475350070713
Cl	   4.274354313886	  -3.512549444341	  -1.509518231076
Cl	   3.162466958047	  -1.569950358476	   0.044809559927
Cl	   3.536721706683	  -1.134904127269	  -2.614923610082
C 	  -1.495728718483	  -2.446150483228	  -5.189469467416
Cl	  -1.933571756635	  -1.668059591578	  -6.692063556882
C 	  -0.571332406810	  -3.480221560362	  -5.200598906020
C 	  -0.220718390853	  -4.104734810538	  -3.990880441585
C 	  -0.799804240095	  -3.621167384050	  -2.805988596053
C 	  -1.789454422710	  -2.621789317823	  -2.796166709634
C 	  -2.108081033281	  -2.014377568596	  -4.000561445909
H 	  -0.138053398172	  -3.827905384333	  -6.140031242067
H 	   0.411411362088	  -4.996965229056	  -3.993232493473
H 	  -2.267661952447	  -2.318172736205	  -1.863812652218
H 	  -2.834439263453	  -1.199951856711	  -4.025649640645
O 	  -1.407310357125	  -5.052166414677	  -1.665059150999
S 	  -0.820569563542	  -5.188311679926	  -0.280992503278
O 	  -0.406641322984	  -6.531648239725	   0.068186769232
O 	   0.125908271538	  -4.089478724161	   0.024690648134
C 	  -2.277341249165	  -4.796417013740	   0.789360434052
F 	  -2.751534001591	  -3.597032987549	   0.485091734212
F 	  -3.230723559837	  -5.694796836036	   0.610665838023
F 	  -1.910631460991	  -4.803231495303	   2.060582135402
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 170), G = -3500.531587363570
Pd	   0.887440746673	  -3.193636017729	  -1.949060450559
P 	   3.103355057434	  -2.291530566089	  -1.471485889548
Cl	   4.289194591039	  -3.492513396330	  -1.499560434147
Cl	   3.157368333223	  -1.553747422204	   0.045895770926
Cl	   3.532365207811	  -1.125304708658	  -2.614475338063
C 	  -1.497549505479	  -2.448869636870	  -5.188131484036
Cl	  -1.940534135420	  -1.672466874262	  -6.690113288382
C 	  -0.582272399720	  -3.491416248947	  -5.202891177739
C 	  -0.228010965345	  -4.115353127519	  -3.994448754732
C 	  -0.793206232724	  -3.623429904567	  -2.806457609426
C 	  -1.773293313260	  -2.614528399602	  -2.792327237932
C 	  -2.096294221963	  -2.007729338354	  -3.996136058607
H 	  -0.159373498801	  -3.845623485412	  -6.144627313145
H 	   0.397898639157	  -5.011823351427	  -3.998229704262
H 	  -2.242959835493	  -2.304923278751	  -1.857559794562
H 	  -2.816241333015	  -1.187541453906	  -4.018008920275
O 	  -1.409243923187	  -5.050522989356	  -1.668031041677
S 	  -0.824119954025	  -5.191304861944	  -0.283714039014
O 	  -0.413001111784	  -6.536301755298	   0.062471520541
O 	   0.123572534323	  -4.094647744527	   0.024766017293
C 	  -2.281674145574	  -4.800213327096	   0.785938142307
F 	  -2.753603489348	  -3.599189375621	   0.484846029632
F 	  -3.236167019716	  -5.696595384492	   0.603109672281
F 	  -1.916764882149	  -4.811701290585	   2.057661829402
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 180), G = -3500.531178652048
Pd	   0.897418337217	  -3.195283203522	  -1.948574367699
P 	   3.113277395909	  -2.283349973965	  -1.466083381612
Cl	   4.305774916231	  -3.477838766062	  -1.486784786411
Cl	   3.159049034676	  -1.538913500589	   0.048321644422
Cl	   3.538209230261	  -1.119148171687	  -2.612689458277
C 	  -1.503846215644	  -2.452950386077	  -5.185943977366
Cl	  -1.957329202471	  -1.680771128471	  -6.687007187513
C 	  -0.595709562312	  -3.502095788509	  -5.205298244031
C 	  -0.234153598393	  -4.123962864132	  -3.998466154928
C 	  -0.783950444451	  -3.624167388900	  -2.806725632990
C 	  -1.756121380291	  -2.607445091502	  -2.787250043521
C 	  -2.087191303525	  -2.002696921839	  -3.990102458815
H 	  -0.184793533009	  -3.862815021395	  -6.149874997109
H 	   0.386702228633	  -5.023799474885	  -4.004312849448
H 	  -2.216060750146	  -2.292382297991	  -1.849440162584
H 	  -2.802500658030	  -1.178358087880	  -4.007975485620
O 	  -1.406171904260	  -5.048371705576	  -1.672200351259
S 	  -0.826239875851	  -5.189990946325	  -0.285674670871
O 	  -0.413717704317	  -6.534710384265	   0.059942116615
O 	   0.117176616757	  -4.091246646380	   0.026802189082
C 	  -2.289305976309	  -4.804688321048	   0.778685171449
F 	  -2.762573390909	  -3.603859280658	   0.479241978073
F 	  -3.240989806098	  -5.702645727278	   0.588851995708
F 	  -1.930067311009	  -4.819422860622	   2.051989560995
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 190), G = -3500.530326224236
Pd	   0.909688176328	  -3.193551960367	  -1.946770882080
P 	   3.128196841139	  -2.273795304409	  -1.457466129661
Cl	   4.323631632309	  -3.465423772117	  -1.467747168054
Cl	   3.166189940794	  -1.520794686547	   0.052883514646
Cl	   3.553762485372	  -1.114780676388	  -2.609071791471
C 	  -1.515136460149	  -2.459334484061	  -5.182813037769
Cl	  -1.985096629871	  -1.694931246461	  -6.682844970304
C 	  -0.612462768203	  -3.513578618303	  -5.207473029438
C 	  -0.239669166656	  -4.131267413062	  -4.002559223725
C 	  -0.771926724064	  -3.623439931910	  -2.806405787221
C 	  -1.737368160469	  -2.600069446659	  -2.780870596835
C 	  -2.080506892085	  -1.999289787179	  -3.982528071155
H 	  -0.215731726435	  -3.881562988847	  -6.155305984600
H 	   0.377086052272	  -5.033744234178	  -4.010830219117
H 	  -2.186378083438	  -2.279664424883	  -1.839565064470
H 	  -2.792830714507	  -1.172280061731	  -3.995763215626
O 	  -1.398941393873	  -5.045695390942	  -1.678715392804
S 	  -0.827326410803	  -5.188118767319	  -0.288640755694
O 	  -0.415169978072	  -6.532810949903	   0.057448427926
O 	   0.111781057630	  -4.087780500183	   0.029004924578
C 	  -2.298286830637	  -4.808057980059	   0.766956432263
F 	  -2.770253159210	  -3.606166420102	   0.470083536680
F 	  -3.247894070786	  -5.705742149174	   0.565655826304
F 	  -1.948471873925	  -4.829032744763	   2.042769103909
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 200), G = -3500.528944240218
Pd	   0.925898202935	  -3.188181947018	  -1.943310431496
P 	   3.151176065653	  -2.263826536147	  -1.444767601022
Cl	   4.346622332905	  -3.455428686147	  -1.452694476765
Cl	   3.185727382215	  -1.509998069207	   0.065211881504
Cl	   3.577867343735	  -1.105572714379	  -2.596708908478
C 	  -1.533551006226	  -2.469541988085	  -5.177840041931
Cl	  -2.028956703042	  -1.718159408725	  -6.676331574057
C 	  -0.632994979417	  -3.525946297923	  -5.208949026934
C 	  -0.243222831437	  -4.136442085022	  -4.006517693871
C 	  -0.755734798787	  -3.621095288670	  -2.805049442718
C 	  -1.717097700762	  -2.593528106976	  -2.772392681021
C 	  -2.078093407627	  -1.999497877580	  -3.972330253669
H 	  -0.253065209584	  -3.901838901350	  -6.160529141992
H 	   0.371306533401	  -5.040222841733	  -4.017869640050
H 	  -2.154158334502	  -2.268401216405	  -1.827090399135
H 	  -2.790513421362	  -1.172504069728	  -3.979943679002
O 	  -1.384093598485	  -5.043415555219	  -1.688282517128
S 	  -0.826777981136	  -5.184029742652	  -0.291934786594
O 	  -0.416681939582	  -6.528176905825	   0.058490002497
O 	   0.106599563259	  -4.081425893353	   0.031982462710
C 	  -2.310459998384	  -4.808130996655	   0.747649363567
F 	  -2.778921035328	  -3.604808507104	   0.451275539474
F 	  -3.257387053604	  -5.704814668187	   0.529835343032
F 	  -1.976602282183	  -4.835925635464	   2.027528149365
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.6, θ = 210), G = -3500.526770077048
Pd	   0.948590014054	  -3.180212645618	  -1.938069275300
P 	   3.186099038484	  -2.253553223459	  -1.427004360094
Cl	   4.377520047007	  -3.449175032945	  -1.429562529155
Cl	   3.217685649883	  -1.496726379313	   0.081473859648
Cl	   3.618825714624	  -1.099450972010	  -2.580836211474
C 	  -1.562875605208	  -2.483392189106	  -5.167417932440
Cl	  -2.097117514775	  -1.750127789049	  -6.661629041105
C 	  -0.660310233588	  -3.538293264764	  -5.209162510800
C 	  -0.244626797224	  -4.139072558357	  -4.011520902670
C 	  -0.732872009237	  -3.618291460897	  -2.802323935801
C 	  -1.693262956990	  -2.589379591943	  -2.758354787609
C 	  -2.081059045322	  -2.004266495497	  -3.954486449989
H 	  -0.301938540319	  -3.921982084969	  -6.165920171310
H 	   0.370189628923	  -5.042351881282	  -4.028677955854
H 	  -2.115531579481	  -2.261149709876	  -1.807358755600
H 	  -2.797176599243	  -1.180455052922	  -3.953041902536
O 	  -1.354965034750	  -5.045514018436	  -1.703047956611
S 	  -0.823113234583	  -5.178034654258	  -0.295559287008
O 	  -0.417817337885	  -6.520132310217	   0.067658137325
O 	   0.101562113960	  -4.071362362979	   0.035957338765
C 	  -2.328185459716	  -4.803619478798	   0.713922217797
F 	  -2.793923355289	  -3.601940572967	   0.406559012598
F 	  -3.267977447004	  -5.703108296792	   0.477474165294
F 	  -2.020834313668	  -4.829321913093	   2.000359680211
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 120), G = -3500.688773909428
Pd	   0.866846640384	  -3.178040020605	  -1.946410825093
P 	   3.079163279245	  -2.342615374583	  -1.469488605263
Cl	   4.292848604863	  -3.615752156640	  -1.478314035323
Cl	   3.197176980231	  -1.564116704240	   0.103323202861
Cl	   3.615198942060	  -1.148447509020	  -2.644640115245
C 	  -1.517016741470	  -2.444733873377	  -5.196418744837
Cl	  -1.965481962860	  -1.673445444988	  -6.698552974648
C 	  -0.566194708771	  -3.454091908157	  -5.205338159864
C 	  -0.208480475641	  -4.074328913790	  -3.995072782761
C 	  -0.807889842592	  -3.607022547896	  -2.815234023844
C 	  -1.822769692718	  -2.635479623920	  -2.805409306058
C 	  -2.148879559530	  -2.033321114898	  -4.010142147140
H 	  -0.118058636869	  -3.787740454457	  -6.142744890374
H 	   0.445502514052	  -4.950877570676	  -3.996225605147
H 	  -2.311371263468	  -2.345398133494	  -1.874354504270
H 	  -2.895290425772	  -1.237405689841	  -4.037525791632
O 	  -1.387950909000	  -5.060189100628	  -1.663185730025
S 	  -0.808213103724	  -5.174137972478	  -0.275373028676
O 	  -0.373983062157	  -6.506010669164	   0.091472062885
O 	   0.121180140730	  -4.056579096937	   0.022581185589
C 	  -2.273234261566	  -4.789965847376	   0.786521173215
F 	  -2.761490559052	  -3.600037267165	   0.467854219969
F 	  -3.214191500227	  -5.702312880793	   0.613546713854
F 	  -1.910535253498	  -4.778864064423	   2.058563158114
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 130), G = -3500.688954618468
Pd	   0.867878081930	  -3.182509869718	  -1.946147519223
P 	   3.076052458317	  -2.335972527558	  -1.468722147096
Cl	   4.298366863165	  -3.600830605488	  -1.474170458647
Cl	   3.187498441834	  -1.552765685800	   0.102245325104
Cl	   3.604545054246	  -1.140517347681	  -2.646026166940
C 	  -1.513790903982	  -2.444566319101	  -5.196357807031
Cl	  -1.960261310815	  -1.671481271526	  -6.698166037866
C 	  -0.569943321946	  -3.460680652822	  -5.206619752588
C 	  -0.213499555816	  -4.082260106658	  -3.996926672102
C 	  -0.806625124428	  -3.609946789253	  -2.815957725652
C 	  -1.814635479853	  -2.631255973698	  -2.804530780668
C 	  -2.139709975614	  -2.027729300490	  -4.009057824803
H 	  -0.126154971101	  -3.797962315934	  -6.144802984134
H 	   0.435868864732	  -4.962167938626	  -3.998501043777
H 	  -2.299528105321	  -2.337547331888	  -1.872645981958
H 	  -2.880944646417	  -1.226953722670	  -4.035242314037
O 	  -1.394123730181	  -5.059755410781	  -1.663761716727
S 	  -0.811534878558	  -5.179530686545	  -0.277709750671
O 	  -0.381923536229	  -6.514018556554	   0.085137799486
O 	   0.123209616931	  -4.066570351455	   0.020555806877
C 	  -2.272578603666	  -4.791789756735	   0.788347279432
F 	  -2.757449774472	  -3.599738756160	   0.472478442471
F 	  -3.217089498239	  -5.700667586234	   0.616480180563
F 	  -1.906740821858	  -4.783695076178	   2.059532296276
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 140), G = -3500.689123763129
Pd	   0.868878797440	  -3.187573974825	  -1.944891828392
P 	   3.071099210492	  -2.324685991793	  -1.466579511360
Cl	   4.304585257750	  -3.578599750184	  -1.464091498959
Cl	   3.172814624375	  -1.532145715120	   0.100360017372
Cl	   3.590612952727	  -1.130231887435	  -2.648932783131
C 	  -1.509864150507	  -2.444772526782	  -5.196067693206
Cl	  -1.954040829055	  -1.669647078920	  -6.697509600233
C 	  -0.576075321637	  -3.470539459678	  -5.208289401345
C 	  -0.221046004095	  -4.093703232527	  -3.999451099580
C 	  -0.804606728244	  -3.614025002190	  -2.816727968394
C 	  -1.802579457527	  -2.625033832404	  -2.802928127917
C 	  -2.126641773570	  -2.019842189484	  -4.007224683838
H 	  -0.138926459506	  -3.813223436402	  -6.147659042279
H 	   0.421841837307	  -4.978251488765	  -4.001549803043
H 	  -2.281935980341	  -2.325951566161	  -1.869834157043
H 	  -2.860388327047	  -1.212134567456	  -4.031600251763
O 	  -1.402480844829	  -5.059542177278	  -1.665394674065
S 	  -0.816105463181	  -5.189559681154	  -0.281965007436
O 	  -0.396695129205	  -6.528969448198	   0.074758087545
O 	   0.129265802450	  -4.085917179055	   0.016948599662
C 	  -2.270537683926	  -4.793491913423	   0.790073196485
F 	  -2.747038388142	  -3.596790830206	   0.479047366665
F 	  -3.222642745938	  -5.694482080559	   0.618811147320
F 	  -1.900608053128	  -4.791798929558	   2.060129163221
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 150), G = -3500.689214171162
Pd	   0.871307342208	  -3.193048814605	  -1.943354776341
P 	   3.068070236234	  -2.313379400088	  -1.464784473619
Cl	   4.314052818724	  -3.554802976051	  -1.456757055994
Cl	   3.160695027791	  -1.512848164674	   0.098654337116
Cl	   3.575925219372	  -1.118429730974	  -2.651733848089
C 	  -1.506306535267	  -2.445480734990	  -5.195403631502
Cl	  -1.949230645278	  -1.668903574130	  -6.696476312896
C 	  -0.583038514841	  -3.481147880069	  -5.209856737155
C 	  -0.228745394543	  -4.105603030591	  -4.001947497310
C 	  -0.801427934624	  -3.617933299191	  -2.817246069363
C 	  -1.788812468462	  -2.618303652560	  -2.800722501238
C 	  -2.112695685917	  -2.011829744836	  -4.004759146228
H 	  -0.153538767329	  -3.829686548773	  -6.150628650559
H 	   0.407178459008	  -4.995057688039	  -4.004700542229
H 	  -2.261773167555	  -2.313379044118	  -1.866195756390
H 	  -2.838666314324	  -1.197055303859	  -4.027070616003
O 	  -1.410148218361	  -5.059006712124	  -1.667005587107
S 	  -0.821175588837	  -5.198202754054	  -0.285667130047
O 	  -0.410279573282	  -6.541772120996	   0.065478706481
O 	   0.132643442845	  -4.102336043833	   0.014456052773
C 	  -2.270542140296	  -4.796111008307	   0.791006497013
F 	  -2.739970232049	  -3.595389515480	   0.484741868404
F 	  -3.228794306652	  -5.690431381543	   0.619124158143
F 	  -1.897841915919	  -4.800774815665	   2.060279158430
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 160), G = -3500.689205590896
Pd	   0.875017732568	  -3.197494779339	  -1.941282416762
P 	   3.067792418249	  -2.302331252941	  -1.463127153143
Cl	   4.325587500552	  -3.531684970588	  -1.451645222653
Cl	   3.153050035762	  -1.495170991022	   0.097324719536
Cl	   3.563308175118	  -1.106341066787	  -2.654247468619
C 	  -1.504530223855	  -2.447138310345	  -5.194131720725
Cl	  -1.948327906974	  -1.670352613922	  -6.694857332576
C 	  -0.590565103997	  -3.491416351440	  -5.210971756555
C 	  -0.235545979914	  -4.116368556968	  -4.004006746968
C 	  -0.797105163189	  -3.621176410604	  -2.817177050872
C 	  -1.775088814056	  -2.612266501696	  -2.797774280672
C 	  -2.100288777965	  -2.005288343056	  -4.001515808182
H 	  -0.169048948604	  -3.845570702341	  -6.153279902726
H 	   0.394068866052	  -5.010178597752	  -4.007559343361
H 	  -2.241569061241	  -2.301975321570	  -1.861699992596
H 	  -2.819556491372	  -1.184527719763	  -4.021648691147
O 	  -1.415350790583	  -5.058772915848	  -1.669000414076
S 	  -0.825783036784	  -5.205559530538	  -0.288768135793
O 	  -0.422614690478	  -6.552613625543	   0.058254754984
O 	   0.134790604427	  -4.116240333306	   0.013059979906
C 	  -2.272125530770	  -4.798431321743	   0.790179006273
F 	  -2.734649460656	  -3.593944227089	   0.488144720616
F 	  -3.235712042129	  -5.686560709313	   0.615878254505
F 	  -1.898868167503	  -4.809508786035	   2.059282447892
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 170), G = -3500.689062524724
Pd	   0.880835758545	  -3.199919944532	  -1.939887432839
P 	   3.071830734533	  -2.293759591258	  -1.459590750815
Cl	   4.338329249147	  -3.514076307203	  -1.446708495129
Cl	   3.150707118896	  -1.483850122370	   0.099765504927
Cl	   3.558548875581	  -1.095439631427	  -2.652013760995
C 	  -1.506173774206	  -2.449899106527	  -5.192921192438
Cl	  -1.954588296239	  -1.675158110197	  -6.693360020965
C 	  -0.599943809087	  -3.501248521639	  -5.212454455767
C 	  -0.241661306600	  -4.125262937298	  -4.006421071941
C 	  -0.791302894225	  -3.622752194938	  -2.817164479761
C 	  -1.761258347955	  -2.605978958380	  -2.794556986162
C 	  -2.090291296521	  -1.999880142211	  -3.997941402237
H 	  -0.187403767259	  -3.861196775379	  -6.156559032941
H 	   0.382417758805	  -5.022826986801	  -4.010979661784
H 	  -2.220577342757	  -2.290546028345	  -1.856604735643
H 	  -2.804228715670	  -1.174414501573	  -4.015651622925
O 	  -1.417057218613	  -5.057005859879	  -1.671827902055
S 	  -0.829017825988	  -5.208556658732	  -0.291431130677
O 	  -0.429552390201	  -6.557448469613	   0.052723583393
O 	   0.133599981544	  -4.122098281778	   0.012924559280
C 	  -2.275765162526	  -4.801163731536	   0.786942335349
F 	  -2.735472015651	  -3.594949352882	   0.487666953679
F 	  -3.240896792694	  -5.686893274952	   0.608972216777
F 	  -1.904193378210	  -4.816588450103	   2.056509427948
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 180), G = -3500.688663274424
Pd	   0.889630099979	  -3.200463952095	  -1.938596906806
P 	   3.080912650011	  -2.286016123095	  -1.454104550212
Cl	   4.353743420842	  -3.499674351277	  -1.439822758375
Cl	   3.153885859323	  -1.474740855100	   0.104833761292
Cl	   3.561791260018	  -1.085620864032	  -2.646836155289
C 	  -1.512055844052	  -2.454413188365	  -5.191071800109
Cl	  -1.970253841593	  -1.684411489183	  -6.691045549219
C 	  -0.611756286040	  -3.511167982304	  -5.214061602099
C 	  -0.246740979064	  -4.132627564185	  -4.009190238224
C 	  -0.782986203494	  -3.623036816052	  -2.816918049626
C 	  -1.746379567721	  -2.599850581244	  -2.790306450574
C 	  -2.082724774769	  -1.996159865014	  -3.993063301292
H 	  -0.209841153999	  -3.877191762175	  -6.160420935059
H 	   0.372757524298	  -5.033229489639	  -4.015250563079
H 	  -2.197512381010	  -2.279619879032	  -1.849973582994
H 	  -2.792992245242	  -1.167465691979	  -4.007721561857
O 	  -1.414430051711	  -5.054625368845	  -1.676043109686
S 	  -0.831052690752	  -5.208572060020	  -0.293808223837
O 	  -0.433415102839	  -6.558264312022	   0.049314553327
O 	   0.130399465949	  -4.122567907842	   0.014207643923
C 	  -2.281911618058	  -4.803478578417	   0.780066253721
F 	  -2.739320010960	  -3.595807553866	   0.483514597117
F 	  -3.247011137642	  -5.687690119177	   0.594584777353
F 	  -1.915851248814	  -4.824217584583	   2.051144197888
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 190), G = -3500.687794837755
Pd	   0.905552315396	  -3.199772938344	  -1.939277613876
P 	   3.100925787533	  -2.282856942491	  -1.448510785401
Cl	   4.376045328966	  -3.494086703341	  -1.434192434040
Cl	   3.170467204532	  -1.472646100559	   0.111122148639
Cl	   3.580078865741	  -1.080605110826	  -2.640069049736
C 	  -1.524828721220	  -2.460771219028	  -5.187273322321
Cl	  -2.001916502953	  -1.699006076924	  -6.685618687333
C 	  -0.627118602790	  -3.519877508081	  -5.216033483830
C 	  -0.249206521084	  -4.136922803449	  -4.013223380328
C 	  -0.769545598792	  -3.621283495000	  -2.816723067286
C 	  -1.729214245930	  -2.594461840133	  -2.783660910744
C 	  -2.079116030854	  -1.995090238228	  -3.984696610572
H 	  -0.238613550532	  -3.891690450324	  -6.165721451313
H 	   0.367513610795	  -5.039290831624	  -4.022390967435
H 	  -2.169964823211	  -2.270591687471	  -1.839672936154
H 	  -2.788688217900	  -1.165724305526	  -3.994467728835
O 	  -1.402407282567	  -5.051814768836	  -1.680961556398
S 	  -0.830839454216	  -5.197387583997	  -0.292648247386
O 	  -0.421787676396	  -6.542326476426	   0.055556467101
O 	   0.114277470859	  -4.099455299856	   0.021214659301
C 	  -2.296750615524	  -4.808643219496	   0.766945097954
F 	  -2.763863982868	  -3.605303325826	   0.468536638650
F 	  -3.250563192043	  -5.702574777711	   0.569563522111
F 	  -1.943550422289	  -4.828730236059	   2.041634145516
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 200), G = -3500.686361006748
Pd	   0.923329399443	  -3.193782253446	  -1.936760412492
P 	   3.125305582774	  -2.275408718306	  -1.437023673243
Cl	   4.399689662845	  -3.487405961293	  -1.424293288086
Cl	   3.193169379249	  -1.468584049912	   0.124395025361
Cl	   3.605762610068	  -1.071179838328	  -2.626033386224
C 	  -1.544075610237	  -2.471249136796	  -5.182073555610
Cl	  -2.047904811078	  -1.723436713197	  -6.678754242289
C 	  -0.646737294304	  -3.530899774259	  -5.217064683209
C 	  -0.251101908641	  -4.140164602746	  -4.016634221443
C 	  -0.752866614639	  -3.617846991414	  -2.815181215071
C 	  -1.710293309820	  -2.588641438024	  -2.775314657922
C 	  -2.078670560588	  -1.996581119171	  -3.974525740010
H 	  -0.274471984232	  -3.910142869209	  -6.170280462119
H 	   0.364065895397	  -5.043394052663	  -4.028899374511
H 	  -2.139905561433	  -2.260856925176	  -1.827563619573
H 	  -2.789771831493	  -1.168482905470	  -3.978897306417
O 	  -1.385177412504	  -5.049181028386	  -1.690078201501
S 	  -0.829418052504	  -5.190339198211	  -0.294535456079
O 	  -0.419648843458	  -6.533529291423	   0.059413300860
O 	   0.106628958143	  -4.087501930759	   0.026253840458
C 	  -2.310442974383	  -4.808741225608	   0.746929376110
F 	  -2.776561020011	  -3.605167464691	   0.448033946233
F 	  -3.259257720098	  -5.704069571444	   0.532125334297
F 	  -1.974760835832	  -4.834326879615	   2.026193118764
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.7, θ = 210), G = -3500.684101850170
Pd	   0.948743605789	  -3.185250144319	  -1.932000802749
P 	   3.160980696524	  -2.266783754981	  -1.419618116369
Cl	   4.431728047060	  -3.482621597093	  -1.410951239351
Cl	   3.229312853472	  -1.466020989531	   0.144845161300
Cl	   3.645261609493	  -1.059974425514	  -2.604445425982
C 	  -1.575126247381	  -2.485819192385	  -5.169630934096
Cl	  -2.120382966411	  -1.756504432798	  -6.660981436879
C 	  -0.673812794437	  -3.542151068747	  -5.216434091994
C 	  -0.250363800832	  -4.141573341986	  -4.021499938065
C 	  -0.728094486104	  -3.615444773185	  -2.811980728151
C 	  -1.686504741498	  -2.586866102430	  -2.759653330468
C 	  -2.083453130668	  -2.003734406872	  -3.954251759542
H 	  -0.323316379648	  -3.928206817500	  -6.175077548443
H 	   0.366132880351	  -5.043564568490	  -4.040528093555
H 	  -2.101405689378	  -2.257373835855	  -1.805892769101
H 	  -2.799769186146	  -1.180179804280	  -3.948645136995
O 	  -1.349885556452	  -5.054223199755	  -1.705761971674
S 	  -0.824241966206	  -5.182862070512	  -0.296864130700
O 	  -0.419665381813	  -6.522716211433	   0.074678069997
O 	   0.101005285624	  -4.074407565548	   0.031681375273
C 	  -2.330372777226	  -4.801524775646	   0.708593255090
F 	  -2.796676443179	  -3.602932207232	   0.390439780300
F 	  -3.268810092129	  -5.703827458689	   0.478140082019
F 	  -2.024398196143	  -4.816351194776	   1.995270176424
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 120), G = -3500.790080124161
Pd	   0.858137429988	  -3.169222960783	  -1.935930334932
P 	   3.060817535733	  -2.362417229526	  -1.460010214600
Cl	   4.339832862998	  -3.677813994435	  -1.521720627992
Cl	   3.259340841430	  -1.593525382262	   0.195020349684
Cl	   3.651166697578	  -1.083724891156	  -2.637629629229
C 	  -1.532914573274	  -2.452664834697	  -5.206225301491
Cl	  -1.991952567129	  -1.693395007463	  -6.710370947171
C 	  -0.571197528475	  -3.452041715217	  -5.212882458279
C 	  -0.206199740515	  -4.064426620888	  -4.001233042526
C 	  -0.807936602603	  -3.595670879776	  -2.825141572228
C 	  -1.832336406772	  -2.636541030184	  -2.813916734450
C 	  -2.167390474881	  -2.043307885181	  -4.020984216215
H 	  -0.120977368712	  -3.784867171015	  -6.149494997070
H 	   0.459414910555	  -4.932184686628	  -3.998869860966
H 	  -2.321200539029	  -2.347671005081	  -1.882714871241
H 	  -2.922769900645	  -1.256040355431	  -4.050187736217
O 	  -1.379962680891	  -5.065260031691	  -1.659954979553
S 	  -0.807633100773	  -5.163251414673	  -0.269672135899
O 	  -0.354615254916	  -6.484649962864	   0.111336264269
O 	   0.105650511601	  -4.028947729800	   0.022692300713
C 	  -2.279725511994	  -4.788635574181	   0.785834330210
F 	  -2.781561880684	  -3.607605488089	   0.455880036356
F 	  -3.208498163747	  -5.714062188289	   0.617178791106
F 	  -1.920603352179	  -4.762985900240	   2.058428034009
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 130), G = -3500.790271750710
Pd	   0.859675170213	  -3.173703208668	  -1.935739901594
P 	   3.059353403235	  -2.358322490357	  -1.459950721751
Cl	   4.345893949295	  -3.666687179268	  -1.513489859900
Cl	   3.251174417551	  -1.579172620936	   0.191075647543
Cl	   3.643626612748	  -1.082177399999	  -2.643390518257
C 	  -1.530384148086	  -2.451741635432	  -5.205658156024
Cl	  -1.988054044536	  -1.690501159539	  -6.709223359098
C 	  -0.574380257174	  -3.456763585574	  -5.213864801240
C 	  -0.210170829038	  -4.070601768781	  -4.002888217042
C 	  -0.806559725211	  -3.597928611239	  -2.825682220663
C 	  -1.825511535719	  -2.632992808725	  -2.812712640322
C 	  -2.159902819358	  -2.038252333442	  -4.019360562070
H 	  -0.127928682367	  -3.792395002492	  -6.151293302761
H 	   0.451542497884	  -4.941292911051	  -4.001264732521
H 	  -2.311174382737	  -2.341398082138	  -1.880655142148
H 	  -2.911116431342	  -1.246956161560	  -4.047255179652
O 	  -1.384543769861	  -5.065264287960	  -1.660493644720
S 	  -0.810371561846	  -5.166878817513	  -0.271298959314
O 	  -0.359182494840	  -6.489741276186	   0.106839163915
O 	   0.105363931847	  -4.034711114084	   0.021600949644
C 	  -2.280178148415	  -4.791324343968	   0.787014938338
F 	  -2.780851356964	  -3.609247750058	   0.459131431583
F 	  -3.210507857106	  -5.715293053923	   0.618928760956
F 	  -1.918926795517	  -4.767566336657	   2.059061473374
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 140), G = -3500.790481084388
Pd	   0.862558961340	  -3.180446243545	  -1.936063046937
P 	   3.057293126594	  -2.351784176977	  -1.458988956804
Cl	   4.354858577735	  -3.649772928172	  -1.494520876594
Cl	   3.235313389994	  -1.554154823142	   0.184732733055
Cl	   3.635651528535	  -1.082212298548	  -2.652420308019
C 	  -1.527669557145	  -2.450585794806	  -5.204785277716
Cl	  -1.984349184292	  -1.686759893817	  -6.707342776509
C 	  -0.580498703487	  -3.464226817685	  -5.215766310511
C 	  -0.216755221832	  -4.080095855083	  -4.005974506673
C 	  -0.804132409688	  -3.601309049973	  -2.826771025228
C 	  -1.814448843756	  -2.627283262261	  -2.810664297548
C 	  -2.148630198090	  -2.030461676224	  -4.016553127364
H 	  -0.140509890656	  -3.804313491656	  -6.154668660766
H 	   0.438988660766	  -4.955219728431	  -4.005696326607
H 	  -2.294602668817	  -2.331350465498	  -1.877076050851
H 	  -2.893394827572	  -1.232999885722	  -4.042093766061
O 	  -1.391206321639	  -5.064959582294	  -1.661896411098
S 	  -0.814039986003	  -5.172785843142	  -0.274489302023
O 	  -0.366548010049	  -6.498276475448	   0.098896054731
O 	   0.106313317388	  -4.044627934523	   0.019237840435
C 	  -2.280089014386	  -4.795132816555	   0.788253009425
F 	  -2.778208857715	  -3.611033148854	   0.463902449801
F 	  -3.213390671638	  -5.716208526149	   0.620710719806
F 	  -1.915618052934	  -4.774913221045	   2.059468666339
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 150), G = -3500.790547093377
Pd	   0.866650729087	  -3.205836039838	  -1.932115987395
P 	   3.039369042611	  -2.317970479409	  -1.457207990826
Cl	   4.379509178297	  -3.571749327364	  -1.418794326421
Cl	   3.166111670839	  -1.444511958545	   0.152348038024
Cl	   3.593268425425	  -1.082167427009	  -2.696850772187
C 	  -1.512563923328	  -2.445034266987	  -5.199582572302
Cl	  -1.960151544451	  -1.668434831562	  -6.698341160442
C 	  -0.598574356864	  -3.489817586108	  -5.219763900852
C 	  -0.240499401016	  -4.115510251260	  -4.014656785886
C 	  -0.797633279609	  -3.616976559218	  -2.829171500669
C 	  -1.774984800052	  -2.610082420509	  -2.802450377771
C 	  -2.104724165960	  -2.003339447115	  -4.005644093591
H 	  -0.179490263217	  -3.843523453207	  -6.163245790459
H 	   0.393821053877	  -5.005961917626	  -4.018711580310
H 	  -2.237024633736	  -2.299673226687	  -1.864291123054
H 	  -2.824477860784	  -1.183009142378	  -4.023151920023
O 	  -1.419546261058	  -5.070540754584	  -1.667443872498
S 	  -0.830017212015	  -5.212859338751	  -0.289092937728
O 	  -0.420731650353	  -6.555930295955	   0.065459798942
O 	   0.130073289948	  -4.118822324608	   0.006431961391
C 	  -2.272770569589	  -4.801779110426	   0.793116993667
F 	  -2.737970897620	  -3.599851563157	   0.485226717992
F 	  -3.235240521545	  -5.692489182538	   0.626499355108
F 	  -1.895516906232	  -4.805043034704	   2.060864273564
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 160), G = -3500.790507871493
Pd	   0.870846299219	  -3.211534501500	  -1.930975018011
P 	   3.039948314983	  -2.309313442638	  -1.454912129146
Cl	   4.393810409334	  -3.548358572162	  -1.421938914119
Cl	   3.159484983905	  -1.438016594539	   0.156359400106
Cl	   3.577878587673	  -1.064268992186	  -2.692338456486
C 	  -1.510728877801	  -2.446895505012	  -5.198678141274
Cl	  -1.959245007148	  -1.670039701694	  -6.697063022284
C 	  -0.606427378936	  -3.500427504009	  -5.221222274662
C 	  -0.247587487325	  -4.126674155909	  -4.017049941272
C 	  -0.793316108905	  -3.620529011774	  -2.829509494411
C 	  -1.760960956081	  -2.604215219087	  -2.799981041158
C 	  -2.091966393948	  -1.996895392366	  -4.002807349442
H 	  -0.195601391318	  -3.859815273426	  -6.166215166325
H 	   0.379865408118	  -5.021859561986	  -4.022018102691
H 	  -2.216127173508	  -2.288336681018	  -1.860212848323
H 	  -2.804720364012	  -1.170418610532	  -4.018158363393
O 	  -1.424921036660	  -5.069494290007	  -1.669325179055
S 	  -0.834777547392	  -5.218496427480	  -0.291961686567
O 	  -0.432453487591	  -6.564665333072	   0.058961783444
O 	   0.131340606761	  -4.130326155919	   0.004813530216
C 	  -2.274756112868	  -4.802859219835	   0.792253009961
F 	  -2.734041601029	  -3.597822148437	   0.487717662655
F 	  -3.241763773009	  -5.688301406548	   0.623877842891
F 	  -1.896894769815	  -4.811350238403	   2.059814345627
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 170), G = -3500.790308277638
Pd	   0.876563224940	  -3.214335850527	  -1.929800132514
P 	   3.044318869804	  -2.301509511085	  -1.451032862458
Cl	   4.408171727877	  -3.529694857388	  -1.425179380263
Cl	   3.158834675862	  -1.435579744622	   0.163501385312
Cl	   3.569863545078	  -1.046894362086	  -2.684123772874
C 	  -1.512456328213	  -2.450404340545	  -5.197627743146
Cl	  -1.965614950376	  -1.675706607835	  -6.695779561791
C 	  -0.615157903808	  -3.510199148828	  -5.222516591313
C 	  -0.253020206357	  -4.135383598643	  -4.019166370307
C 	  -0.787717989285	  -3.622611672789	  -2.829458971567
C 	  -1.748198064083	  -2.599370154555	  -2.797216338872
C 	  -2.082930432238	  -1.992989948579	  -3.999683916644
H 	  -0.212721464276	  -3.874920318841	  -6.169092649815
H 	   0.369160645897	  -5.034124246243	  -4.025107957770
H 	  -2.196838404409	  -2.278956704730	  -1.855792056317
H 	  -2.790970472675	  -1.162423940818	  -4.012904826281
O 	  -1.426217108907	  -5.067956901673	  -1.672239268684
S 	  -0.837900482263	  -5.221296098198	  -0.294481429164
O 	  -0.440770912687	  -6.569523341680	   0.054535996684
O 	   0.131441453803	  -4.136821268913	   0.004168567016
C 	  -2.278078166876	  -4.803193562859	   0.788650826342
F 	  -2.732462157861	  -3.595657113844	   0.486783388056
F 	  -3.247999768663	  -5.684646304266	   0.616165793694
F 	  -1.902414187642	  -4.816714340018	   2.056828318962
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 180), G = -3500.789894133813
Pd	   0.885109313427	  -3.214358730442	  -1.928666676181
P 	   3.054019659024	  -2.294418447108	  -1.445392122442
Cl	   4.424266148806	  -3.515558095561	  -1.427752031753
Cl	   3.165575917716	  -1.436561626086	   0.173634739878
Cl	   3.570947584044	  -1.030308409227	  -2.672368462301
C 	  -1.518637407077	  -2.455873603595	  -5.196069790182
Cl	  -1.981606006309	  -1.686398558942	  -6.693971986380
C 	  -0.626463038361	  -3.520243529175	  -5.223796343014
C 	  -0.257586824140	  -4.142455997451	  -4.021360199030
C 	  -0.779821673026	  -3.623051094491	  -2.829001398170
C 	  -1.734680464436	  -2.594336864703	  -2.793549478795
C 	  -2.076615695243	  -1.990724638506	  -3.995516884203
H 	  -0.234022383297	  -3.890821021255	  -6.172300729518
H 	   0.360295896639	  -5.044027946268	  -4.028553036588
H 	  -2.175923948467	  -2.269553726244	  -1.850097308127
H 	  -2.781690502498	  -1.157596569446	  -4.006174609241
O 	  -1.423098307161	  -5.065231348372	  -1.676494989984
S 	  -0.839548117052	  -5.220200967661	  -0.296672390387
O 	  -0.444462926991	  -6.569102409834	   0.052013834070
O 	   0.128752572155	  -4.136107856802	   0.005043798583
C 	  -2.284011904020	  -4.803678297733	   0.781563516341
F 	  -2.735961195956	  -3.594805824181	   0.481681213568
F 	  -3.253944742790	  -5.683686482195	   0.601902652973
F 	  -1.914006812320	  -4.821811894270	   2.051329127166
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 190), G = -3500.789092613982
Pd	   0.900066941826	  -3.211463200778	  -1.929355029972
P 	   3.074628879753	  -2.292036401192	  -1.439066422205
Cl	   4.443361017155	  -3.514829538289	  -1.418425939699
Cl	   3.182662304392	  -1.434943013806	   0.180595095443
Cl	   3.595703449219	  -1.028180491944	  -2.664548107043
C 	  -1.532684189316	  -2.462507362415	  -5.192475624821
Cl	  -2.014923554919	  -1.702145739567	  -6.689021355934
C 	  -0.641229591510	  -3.527539118413	  -5.225151315948
C 	  -0.259332016921	  -4.144675235523	  -4.024453700996
C 	  -0.767610183700	  -3.620416180216	  -2.828277859397
C 	  -1.720620236497	  -2.589763031936	  -2.787487486421
C 	  -2.076082728070	  -1.991038493815	  -3.987897430561
H 	  -0.260937847732	  -3.903344323590	  -6.176529914614
H 	   0.356698240817	  -5.047382726957	  -4.034437646244
H 	  -2.153043245913	  -2.262211189476	  -1.840939064108
H 	  -2.781957929605	  -1.158542280832	  -3.994307065058
O 	  -1.410354612431	  -5.061461681167	  -1.682327192419
S 	  -0.838080586501	  -5.208592985786	  -0.296509956723
O 	  -0.432205631437	  -6.553067584363	   0.056574328133
O 	   0.114609400551	  -4.113029483147	   0.010830934301
C 	  -2.297264534472	  -4.807866571642	   0.768041210712
F 	  -2.758126891614	  -3.602830897167	   0.466975036200
F 	  -3.256610438980	  -5.696944047191	   0.576289453406
F 	  -1.939780871445	  -4.826102360340	   2.041335500250
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 200), G = -3500.787686857976
Pd	   0.917641338332	  -3.202726130801	  -1.927719718365
P 	   3.100203713482	  -2.285063744517	  -1.426827740521
Cl	   4.463759500362	  -3.513505978629	  -1.400296375961
Cl	   3.204811964132	  -1.427427813774	   0.192736648321
Cl	   3.630882581334	  -1.024519827888	  -2.651588632149
C 	  -1.554051526983	  -2.473322630208	  -5.187501475855
Cl	  -2.064440569867	  -1.728304619503	  -6.682490171659
C 	  -0.660890424528	  -3.537064197872	  -5.225914766420
C 	  -0.260480392088	  -4.145494627742	  -4.027391750956
C 	  -0.751598845051	  -3.615499874998	  -2.826576343608
C 	  -1.704394757083	  -2.584321079787	  -2.779649681128
C 	  -2.079018863836	  -1.993777302271	  -3.978303224363
H 	  -0.296017193738	  -3.919870179242	  -6.180496797431
H 	   0.355043242881	  -5.048357903283	  -4.040281093616
H 	  -2.126786226116	  -2.253592250574	  -1.829711449676
H 	  -2.788081979709	  -1.163981734243	  -3.979711998647
O 	  -1.391072596784	  -5.057583171389	  -1.692105984975
S 	  -0.834852413081	  -5.200654761114	  -0.298795949200
O 	  -0.428183483817	  -6.543523653756	   0.059219976232
O 	   0.108291718420	  -4.100110449501	   0.016403986545
C 	  -2.309809555714	  -4.808129975793	   0.747359775662
F 	  -2.769641844281	  -3.602693333720	   0.446646829162
F 	  -3.264012574098	  -5.698577850443	   0.537020783910
F 	  -1.970415669521	  -4.832810848515	   2.025405600985
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.8, θ = 210), G = -3500.785271326996
Pd	   0.945130230051	  -3.192792902009	  -1.924836904986
P 	   3.138467298711	  -2.278077700448	  -1.410210015325
Cl	   4.494188917754	  -3.514994918294	  -1.377645973968
Cl	   3.241379784674	  -1.419430542785	   0.208859725479
Cl	   3.681437155241	  -1.022643154122	  -2.634817334481
C 	  -1.587909095618	  -2.487428632246	  -5.173427230644
Cl	  -2.142159050000	  -1.761162569099	  -6.662074681977
C 	  -0.688939937160	  -3.546157127302	  -5.224810941669
C 	  -0.258885787877	  -4.144631404378	  -4.032447552854
C 	  -0.726033158120	  -3.612204234056	  -2.823211038747
C 	  -1.681699014323	  -2.583539052076	  -2.762702200426
C 	  -2.086666691404	  -2.002019771267	  -3.955974224408
H 	  -0.346070199982	  -3.934855757330	  -6.185072345727
H 	   0.358832991962	  -5.045640941359	  -4.053023040577
H 	  -2.089361150855	  -2.252380625336	  -1.806440963746
H 	  -2.802406920905	  -1.178063151791	  -3.946538189781
O 	  -1.350473608505	  -5.063530353782	  -1.708534709302
S 	  -0.827616089650	  -5.191496808133	  -0.300168954707
O 	  -0.425159305972	  -6.530139602888	   0.077407483159
O 	   0.101857908005	  -4.083529916862	   0.024439247404
C 	  -2.331086134304	  -4.801015269630	   0.705982525744
F 	  -2.794762915752	  -3.603156270471	   0.381421564507
F 	  -3.271601059001	  -5.702442490404	   0.481159736055
F 	  -2.023579024320	  -4.809580743492	   1.992096467265
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 120), G = -3500.847672893389
Pd	   0.850109943273	  -3.173652379675	  -1.917149084604
P 	   3.031060975453	  -2.366463728056	  -1.455527024085
Cl	   4.398309334329	  -3.706684898740	  -1.573328567990
Cl	   3.318960498171	  -1.587256945416	   0.273255158618
Cl	   3.644859330737	  -1.002967267712	  -2.657200331291
C 	  -1.535061850083	  -2.456560905779	  -5.211995017556
Cl	  -1.996126143272	  -1.701404450511	  -6.716516859290
C 	  -0.574169558765	  -3.457632595903	  -5.218851299997
C 	  -0.207464950301	  -4.067820349365	  -4.007436017844
C 	  -0.804654928445	  -3.591313705575	  -2.834583774567
C 	  -1.827732360376	  -2.633762119947	  -2.818488541265
C 	  -2.166154670455	  -2.043558332368	  -4.026934161620
H 	  -0.126445677583	  -3.793283168528	  -6.155584284438
H 	   0.462384799170	  -4.932229510007	  -4.002567324552
H 	  -2.313224477930	  -2.342476344139	  -1.886331637495
H 	  -2.921608406063	  -1.256407292393	  -4.055893917549
O 	  -1.386060143925	  -5.080837267555	  -1.655163342082
S 	  -0.819012591191	  -5.172654923348	  -0.265165351698
O 	  -0.363275205975	  -6.489360034430	   0.128382552769
O 	   0.094692310094	  -4.034448327332	   0.021382684136
C 	  -2.290268596849	  -4.789347182671	   0.788590757886
F 	  -2.791440888630	  -3.610587451814	   0.449546027985
F 	  -3.219270497427	  -5.715616421031	   0.626116343034
F 	  -1.931521101300	  -4.754588337259	   2.060873459783
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 130), G = -3500.847869864338
Pd	   0.852324781263	  -3.180213189926	  -1.916906410377
P 	   3.029401348595	  -2.362038610581	  -1.455400085021
Cl	   4.408625683703	  -3.690711072667	  -1.563754355765
Cl	   3.308319936296	  -1.569270112377	   0.268686893028
Cl	   3.632320486948	  -1.000366111988	  -2.664669326502
C 	  -1.531715633293	  -2.455450725763	  -5.211137010673
Cl	  -1.991046568344	  -1.697647332451	  -6.714857080358
C 	  -0.578438519133	  -3.464025211404	  -5.220086404454
C 	  -0.212717603374	  -4.076170358826	  -4.009577149683
C 	  -0.802764157010	  -3.594458529883	  -2.835257259550
C 	  -1.818600082653	  -2.629187551133	  -2.816796225089
C 	  -2.156175183867	  -2.036956837558	  -4.024653570127
H 	  -0.135780991502	  -3.803393948510	  -6.157919959891
H 	   0.451923216896	  -4.944541002282	  -4.005732992878
H 	  -2.299719574431	  -2.334179640003	  -1.883493638288
H 	  -2.906055741228	  -1.244407558960	  -4.051839104098
O 	  -1.391718371193	  -5.081095398922	  -1.655863548646
S 	  -0.822555846872	  -5.177252324237	  -0.267097382435
O 	  -0.369202871669	  -6.495797881360	   0.123076853705
O 	   0.094259275295	  -4.041725730649	   0.020111560746
C 	  -2.291105622747	  -4.792549698661	   0.789867024454
F 	  -2.790679936123	  -3.612464811614	   0.453187258683
F 	  -3.222080912056	  -5.716945542970	   0.627995017987
F 	  -1.929931970850	  -4.760064756823	   2.061547341521
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 140), G = -3500.848065761507
Pd	   0.856721596678	  -3.192630314586	  -1.917038283612
P 	   3.025896887372	  -2.353214130121	  -1.453746659464
Cl	   4.428073472824	  -3.658585998921	  -1.549105902270
Cl	   3.287008592523	  -1.542519311057	   0.264784095272
Cl	   3.608358811917	  -0.990159298207	  -2.671505918384
C 	  -1.525940867388	  -2.454176491847	  -5.210144419690
Cl	  -1.982793661034	  -1.692125091428	  -6.712480853178
C 	  -0.587635764947	  -3.477109846718	  -5.223038117643
C 	  -0.223402695953	  -4.092641809595	  -4.014253483644
C 	  -0.798878932951	  -3.600574877263	  -2.837121131606
C 	  -1.799931745838	  -2.620002516647	  -2.814079084706
C 	  -2.136534244996	  -2.024452547390	  -4.020893966127
H 	  -0.155349248205	  -3.823889126597	  -6.163012136585
H 	   0.431116020031	  -4.968538307373	  -4.012228753264
H 	  -2.271893816519	  -2.317371915842	  -1.878506188196
H 	  -2.875353292153	  -1.221487290255	  -4.044648571694
O 	  -1.403180379959	  -5.080318811009	  -1.657427680294
S 	  -0.829323223724	  -5.185933243691	  -0.271426683974
O 	  -0.381807370481	  -6.508587359195	   0.111563064273
O 	   0.094893733535	  -4.056755146182	   0.016954496990
C 	  -2.292029314301	  -4.797599439803	   0.792212185282
F 	  -2.787626683625	  -3.614493713276	   0.460528562613
F 	  -3.227565559193	  -5.717568009516	   0.631416666989
F 	  -1.925937170951	  -4.770179343021	   2.062629209197
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 150), G = -3500.848104976298
Pd	   0.865471737387	  -3.225075450883	  -1.921182003072
P 	   3.011404848454	  -2.327855502617	  -1.449765076202
Cl	   4.463338974925	  -3.581111058727	  -1.435856248136
Cl	   3.189875481359	  -1.418587560033	   0.229609632661
Cl	   3.579203412349	  -1.008465022386	  -2.721407806941
C 	  -1.515385967888	  -2.446490189751	  -5.205193597850
Cl	  -1.967025428310	  -1.670058277381	  -6.701792743655
C 	  -0.613192541273	  -3.502380244336	  -5.230936691372
C 	  -0.251751339027	  -4.129387240566	  -4.028422521969
C 	  -0.791476484596	  -3.617145880045	  -2.843137698865
C 	  -1.756540373296	  -2.601508126814	  -2.805601483005
C 	  -2.091577099783	  -1.994566097607	  -4.008086474086
H 	  -0.206220672521	  -3.862824255173	  -6.177112959393
H 	   0.378567767968	  -5.022528644997	  -4.033533426579
H 	  -2.205651175270	  -2.284035800308	  -1.863516920642
H 	  -2.803166987294	  -1.167112881417	  -4.020974224423
O 	  -1.430814467089	  -5.083441136247	  -1.664182430409
S 	  -0.842652916746	  -5.222546260568	  -0.287752549895
O 	  -0.429362922941	  -6.562059502096	   0.075065298619
O 	   0.118413346114	  -4.125083700949	   0.001899787314
C 	  -2.281628292903	  -4.805156731417	   0.797039794871
F 	  -2.748254716870	  -3.605635040773	   0.482365603111
F 	  -3.243757455014	  -5.697609552106	   0.638351782297
F 	  -1.900931585079	  -4.800249782353	   2.063553403902
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 160), G = -3500.848078065341
Pd	   0.869748811436	  -3.229142585045	  -1.921236396794
P 	   3.013639041737	  -2.322121346401	  -1.447229456429
Cl	   4.474215490946	  -3.565121951391	  -1.424091368769
Cl	   3.180247226142	  -1.405103042638	   0.229159533703
Cl	   3.575925887924	  -1.003308036792	  -2.721923014797
C 	  -1.516244122575	  -2.447611558873	  -5.203979144623
Cl	  -1.970483573263	  -1.671051752042	  -6.699768420366
C 	  -0.620692674860	  -3.509351518038	  -5.232359181277
C 	  -0.257209676039	  -4.136762184331	  -4.030955418806
C 	  -0.787645740636	  -3.619540473696	  -2.843616679267
C 	  -1.746169421284	  -2.597668404020	  -2.803186246930
C 	  -2.083554452990	  -1.990227554240	  -4.004932418207
H 	  -0.220581269586	  -3.873585935372	  -6.180028887964
H 	   0.368192246319	  -5.033256057785	  -4.037527273599
H 	  -2.189713081441	  -2.276835579965	  -1.859548157918
H 	  -2.790542147331	  -1.158789637436	  -4.015525405637
O 	  -1.433088655896	  -5.082846175674	  -1.666716944274
S 	  -0.845093156662	  -5.226716230187	  -0.290661776262
O 	  -0.437151370232	  -6.568577536163	   0.069734019315
O 	   0.120300144782	  -4.133534710813	   0.000134880041
C 	  -2.282557062841	  -4.805992323989	   0.794976373336
F 	  -2.744543082317	  -3.603980925214	   0.482913311438
F 	  -3.248090459255	  -5.694421197295	   0.634230379342
F 	  -1.902023759425	  -4.805367222154	   2.061568141029
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 170), G = -3500.847923827832
Pd	   0.875871689742	  -3.229446714840	  -1.921920099362
P 	   3.020486304329	  -2.317769197896	  -1.442468492394
Cl	   4.483454188926	  -3.557628240110	  -1.406018737471
Cl	   3.175432419887	  -1.393315303809	   0.230963077566
Cl	   3.586835070901	  -1.002912204226	  -2.719461593230
C 	  -1.521868864766	  -2.450232979265	  -5.202892250176
Cl	  -1.983266135043	  -1.676498787390	  -6.698012157221
C 	  -0.630437392334	  -3.515579733429	  -5.234064317573
C 	  -0.261818321936	  -4.141437077915	  -4.033685795061
C 	  -0.782563479602	  -3.619708180346	  -2.843991948109
C 	  -1.736781810296	  -2.593665903477	  -2.800572417674
C 	  -2.079619734217	  -1.987619992338	  -4.001569489688
H 	  -0.237937911150	  -3.883732746986	  -6.183412966745
H 	   0.360183538001	  -5.040193056801	  -4.041830770531
H 	  -2.174546699005	  -2.269965462292	  -1.855179475680
H 	  -2.784189766042	  -1.154096211228	  -4.009729452799
O 	  -1.431121139147	  -5.080401491323	  -1.670621522317
S 	  -0.845240408977	  -5.226338013554	  -0.293683846527
O 	  -0.438235530077	  -6.568884915966	   0.065173674062
O 	   0.119482955217	  -4.133462775114	  -0.000818502589
C 	  -2.284708855537	  -4.807585641165	   0.790175642519
F 	  -2.745558405007	  -3.604594084599	   0.480449649204
F 	  -3.250233996876	  -5.695214349985	   0.625079330894
F 	  -1.906732574330	  -4.810630875497	   2.057522907189
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 180), G = -3500.847487748549
Pd	   0.885136126676	  -3.227387639048	  -1.922172083394
P 	   3.033002080109	  -2.313577652404	  -1.436000256234
Cl	   4.496207938213	  -3.553041769388	  -1.397275243497
Cl	   3.182426091389	  -1.391942617781	   0.239473606601
Cl	   3.602145724474	  -0.996261579884	  -2.709169810718
C 	  -1.531411151368	  -2.455613728987	  -5.201273779140
Cl	  -2.005114350824	  -1.688124635415	  -6.695838323949
C 	  -0.642312727322	  -3.523021179139	  -5.235517665281
C 	  -0.265223963674	  -4.145218175852	  -4.036159610765
C 	  -0.774808376718	  -3.618669963759	  -2.843715282196
C 	  -1.726113812250	  -2.589674611751	  -2.797055405725
C 	  -2.077814523911	  -1.987069344566	  -3.997239830429
H 	  -0.259074674860	  -3.895906602428	  -6.186804773724
H 	   0.354261809405	  -5.045596059644	  -4.045992579444
H 	  -2.157252372069	  -2.263000074398	  -1.849629318221
H 	  -2.781655872585	  -1.152901653303	  -4.002662220074
O 	  -1.424737775152	  -5.076821835413	  -1.675746802247
S 	  -0.844500705632	  -5.221266889735	  -0.295908878381
O 	  -0.434782848522	  -6.562732399738	   0.063738118232
O 	   0.114531214999	  -4.124729394520	   0.000106438741
C 	  -2.290695554522	  -4.808812713533	   0.781583576165
F 	  -2.753311035839	  -3.606352366619	   0.472837510768
F 	  -3.252803295575	  -5.698736606813	   0.609044491478
F 	  -1.919212801783	  -4.814454445429	   2.050808567722
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 190), G = -3500.846556714836
Pd	   0.896861087876	  -3.220990781946	  -1.921511482518
P 	   3.051154168221	  -2.307848968660	  -1.426191674518
Cl	   4.509681925574	  -3.552590587177	  -1.381105430872
Cl	   3.195547851556	  -1.387314700575	   0.250312886212
Cl	   3.630431769531	  -0.992337288155	  -2.696624209802
C 	  -1.546562297507	  -2.463554686928	  -5.198928687308
Cl	  -2.039121252738	  -1.706922670450	  -6.693019120561
C 	  -0.657731392235	  -3.531306506497	  -5.236593391703
C 	  -0.268139705033	  -4.147121550747	  -4.038353744211
C 	  -0.764587941288	  -3.615227180981	  -2.842645101417
C 	  -1.714459523967	  -2.584526193456	  -2.792441547422
C 	  -2.079152562935	  -1.987922390571	  -3.991748317567
H 	  -0.285939068007	  -3.910152983603	  -6.190052734181
H 	   0.349785690832	  -5.048426828466	  -4.049915056124
H 	  -2.138113661589	  -2.254614859715	  -1.842773250612
H 	  -2.784249719476	  -1.154802567877	  -3.994058595482
O 	  -1.413933833847	  -5.071458127646	  -1.683411132002
S 	  -0.842302906373	  -5.214920268639	  -0.299351432161
O 	  -0.431112502553	  -6.555633071553	   0.061177628398
O 	   0.110416837151	  -4.114973642835	   0.001666400898
C 	  -2.297874752472	  -4.809689036282	   0.768520061651
F 	  -2.760229896393	  -3.606582932169	   0.462379881794
F 	  -3.256816121010	  -5.700519351283	   0.583492977556
F 	  -1.936667050664	  -4.821476763343	   2.040605518233
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 200), G = -3500.845169205577
Pd	   0.912980132727	  -3.211344001971	  -1.919244546461
P 	   3.076220790296	  -2.299302125924	  -1.412579418039
Cl	   4.528507453120	  -3.551206512285	  -1.364901704161
Cl	   3.218167782564	  -1.382950230384	   0.266384913058
Cl	   3.665982516108	  -0.984392033776	  -2.678766265945
C 	  -1.567990558967	  -2.475287050427	  -5.194357838946
Cl	  -2.088142272470	  -1.734782814961	  -6.687269859663
C 	  -0.677595813832	  -3.541865641609	  -5.236784229583
C 	  -0.270148692133	  -4.148438799325	  -4.040379144224
C 	  -0.749913539037	  -3.610542687536	  -2.840392040411
C 	  -1.699364293998	  -2.578955073972	  -2.785337870574
C 	  -2.082492447984	  -1.990955996388	  -3.983158688576
H 	  -0.320904874060	  -3.928286957650	  -6.192930916664
H 	   0.346838252850	  -5.050187123423	  -4.054288932522
H 	  -2.113723915699	  -2.245390087445	  -1.832883356053
H 	  -2.790662755280	  -1.160462079785	  -3.981103810670
O 	  -1.396208891778	  -5.065964611885	  -1.694403589346
S 	  -0.839002127795	  -5.208134714146	  -0.303590153333
O 	  -0.430263217878	  -6.548676678468	   0.060023324062
O 	   0.107730287111	  -4.106086472978	   0.004700975726
C 	  -2.308223642934	  -4.808219659480	   0.747964894595
F 	  -2.766186817869	  -3.602947911614	   0.444153440447
F 	  -3.264854065778	  -5.697408093753	   0.544081622542
F 	  -1.963864144625	  -4.829126580361	   2.024493641023
24
TS_CO-PdL1 (VL_PAr3, r0 = 1.9, θ = 210), G = -3500.842797207650
Pd	   0.940311691617	  -3.201491190912	  -1.916566262251
P 	   3.114810340319	  -2.290587106161	  -1.396205324609
Cl	   4.558827625357	  -3.551781991905	  -1.342624077639
Cl	   3.254589498100	  -1.374628708545	   0.283105625749
Cl	   3.717696048244	  -0.980522856392	  -2.661213065485
C 	  -1.602065100615	  -2.489617167338	  -5.179128140373
Cl	  -2.165567281462	  -1.767208448157	  -6.665229091961
C 	  -0.705637861652	  -3.550922771542	  -5.234672623683
C 	  -0.268726204056	  -4.147829973642	  -4.044700782385
C 	  -0.724953030719	  -3.608155429035	  -2.836298304192
C 	  -1.677629006977	  -2.579405882055	  -2.767735154293
C 	  -2.090837433855	  -2.000078404668	  -3.959840413943
H 	  -0.370756355690	  -3.942911305814	  -6.196344163290
H 	   0.350203315687	  -5.047863715616	  -4.066535552278
H 	  -2.077751707704	  -2.245889233043	  -1.809139210346
H 	  -2.805866658078	  -1.175613015571	  -3.946814196119
O 	  -1.354317360117	  -5.072883023974	  -1.712133745263
S 	  -0.831263042254	  -5.200603680258	  -0.305773230869
O 	  -0.430166786821	  -6.537755196458	   0.077758289127
O 	   0.104216342372	  -4.093270839000	   0.012132979664
C 	  -2.329005422611	  -4.799314040344	   0.704885556134
F 	  -2.789158829721	  -3.601523854638	   0.375335205521
F 	  -3.273194771566	  -5.698553050504	   0.487538065593
F 	  -2.016872865148	  -4.802503053988	   1.989628063481
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 120), G = -3500.872716654458
Pd	   0.850696890934	  -3.199137829594	  -1.908364939413
P 	   2.998667490683	  -2.365597478150	  -1.442987216286
Cl	   4.486483449440	  -3.706600020326	  -1.537764526799
Cl	   3.318853807132	  -1.504198353968	   0.339111890224
Cl	   3.638519312469	  -0.945986102271	  -2.706696362595
C 	  -1.537789997720	  -2.454544226452	  -5.215878948600
Cl	  -2.002801796348	  -1.694330248061	  -6.715449615067
C 	  -0.596742188459	  -3.475633688338	  -5.233729483712
C 	  -0.225916751950	  -4.091177857917	  -4.027517939904
C 	  -0.796743925941	  -3.595941523808	  -2.852002705607
C 	  -1.799848708869	  -2.620823317575	  -2.818656494834
C 	  -2.144162960345	  -2.026284564679	  -4.024445598039
H 	  -0.167836908156	  -3.821146830957	  -6.175623520663
H 	   0.435171597483	  -4.962075539274	  -4.026782176164
H 	  -2.266821423569	  -2.319605952313	  -1.880237105405
H 	  -2.885501518617	  -1.225604523797	  -4.044350330239
O 	  -1.400422719948	  -5.099656509863	  -1.654672692338
S 	  -0.832970151092	  -5.193929864795	  -0.267886736284
O 	  -0.380878487261	  -6.510115997891	   0.131290861136
O 	   0.089374628448	  -4.058532806840	   0.012980963331
C 	  -2.296579593914	  -4.796715617099	   0.791531656926
F 	  -2.791849349171	  -3.616522627095	   0.448949401182
F 	  -3.231603602555	  -5.718138630266	   0.636618443097
F 	  -1.932411950017	  -4.758613828209	   2.061993622327
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 130), G = -3500.872890415123
Pd	   0.853139779050	  -3.206839748228	  -1.907709226801
P 	   2.996236494998	  -2.359843391577	  -1.442029075240
Cl	   4.499749842342	  -3.682954702121	  -1.540091650635
Cl	   3.309139120330	  -1.494495722952	   0.339462534010
Cl	   3.616579959230	  -0.932002264796	  -2.706214903606
C 	  -1.532695342473	  -2.454468230338	  -5.216016516767
Cl	  -1.995212307759	  -1.692158051547	  -6.715308608690
C 	  -0.602419955077	  -3.485707835617	  -5.235513636869
C 	  -0.233303785106	  -4.102940946215	  -4.029954944031
C 	  -0.794156131157	  -3.599603474786	  -2.853109871505
C 	  -1.786585108868	  -2.613639127629	  -2.817647360004
C 	  -2.129677100119	  -2.017545400242	  -4.023248554210
H 	  -0.180489476752	  -3.836989382871	  -6.178464569061
H 	   0.420388227783	  -4.979323846751	  -4.029674459028
H 	  -2.247217331747	  -2.306378448928	  -1.877998987233
H 	  -2.863018920674	  -1.209483394571	  -4.041620175119
O 	  -1.409462840724	  -5.098065281024	  -1.654829941748
S 	  -0.838350353293	  -5.198790810661	  -0.270137456562
O 	  -0.388975238054	  -6.517562784776	   0.123621050446
O 	   0.088163056942	  -4.067059508103	   0.011773353526
C 	  -2.297941232872	  -4.800601467178	   0.794372195583
F 	  -2.792082786978	  -3.619026199621	   0.455122717577
F 	  -3.235013798386	  -5.720185754440	   0.640814019183
F 	  -1.929909627988	  -4.765248164576	   2.063834513061
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 140), G = -3500.872978071561
Pd	   0.857427308863	  -3.219014194598	  -1.907510657079
P 	   2.993510989456	  -2.352435361991	  -1.441186109403
Cl	   4.519788689055	  -3.649171797892	  -1.539603542872
Cl	   3.293023910633	  -1.479560394270	   0.338944021583
Cl	   3.587522133558	  -0.914759526447	  -2.706910845643
C 	  -1.526494040963	  -2.454142319918	  -5.215223035824
Cl	  -1.986485200997	  -1.688316127909	  -6.713530894337
C 	  -0.610309934429	  -3.498280864293	  -5.237819851656
C 	  -0.242811962172	  -4.118371497269	  -4.033631232696
C 	  -0.790152995090	  -3.605450334202	  -2.854638800774
C 	  -1.768604748627	  -2.605735782958	  -2.815445978450
C 	  -2.110652424567	  -2.006917548953	  -4.020294216123
H 	  -0.197972385122	  -3.856298511671	  -6.182504479764
H 	   0.401055739401	  -5.001880308418	  -4.034726254444
H 	  -2.220590787696	  -2.291472614444	  -1.873834184167
H 	  -2.833509078775	  -1.189407067477	  -4.035933180921
O 	  -1.420626545755	  -5.097586622383	  -1.655518736870
S 	  -0.845563258466	  -5.206784090083	  -0.273349518029
O 	  -0.402621788848	  -6.529482806517	   0.114606658701
O 	   0.088572404518	  -4.081577754587	   0.009426959149
C 	  -2.299600500708	  -4.803742549477	   0.796844330351
F 	  -2.789472490796	  -3.619391179881	   0.461177651471
F 	  -3.241293687710	  -5.718883873148	   0.644903666706
F 	  -1.927254202115	  -4.772250810756	   2.065188677380
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 150), G = -3500.873000195086
Pd	   0.865458509502	  -3.240995350430	  -1.909426619439
P 	   2.991037537226	  -2.346104659251	  -1.442050600171
Cl	   4.555557409511	  -3.596663446890	  -1.536480848676
Cl	   3.264023030459	  -1.461627724810	   0.336658380279
Cl	   3.543511703848	  -0.893284591153	  -2.709274975716
C 	  -1.518251126001	  -2.452846071893	  -5.212763235972
Cl	  -1.975304682713	  -1.680453763186	  -6.708652369461
C 	  -0.620014196810	  -3.512796127345	  -5.240809060458
C 	  -0.254339006853	  -4.138172785533	  -4.039191967205
C 	  -0.784395661809	  -3.615089670088	  -2.856841468981
C 	  -1.745345217117	  -2.598803714589	  -2.811518960990
C 	  -2.086107531724	  -1.994793692175	  -4.014452205205
H 	  -0.220018949905	  -3.877745204474	  -6.188174390365
H 	   0.376500874733	  -5.030891337310	  -4.043442696574
H 	  -2.186185207216	  -2.277242719690	  -1.866975444468
H 	  -2.795587042321	  -1.165549689269	  -4.025479296546
O 	  -1.434928183792	  -5.099004193974	  -1.656573354391
S 	  -0.855653577894	  -5.219260583954	  -0.277424743081
O 	  -0.426004228358	  -6.548015494874	   0.105015180264
O 	   0.092253386871	  -4.105653162605	   0.005175338097
C 	  -2.301473356546	  -4.803859497450	   0.799168935953
F 	  -2.780497803417	  -3.613760413248	   0.468115315267
F 	  -3.252949229479	  -5.709060116429	   0.648502593191
F 	  -1.924402307544	  -4.779239928926	   2.066326940919
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 160), G = -3500.872786546715
Pd	   0.869671698669	  -3.246556789389	  -1.911742956863
P 	   2.991951220180	  -2.341173360153	  -1.438863950055
Cl	   4.570616326024	  -3.574524518630	  -1.523314429276
Cl	   3.246362029682	  -1.452248802916	   0.340406870979
Cl	   3.535172566412	  -0.883204862788	  -2.704169785972
C 	  -1.517217143168	  -2.454669598515	  -5.215159513116
Cl	  -1.974916936060	  -1.683284012510	  -6.711425177710
C 	  -0.629314902697	  -3.523579371055	  -5.244197620416
C 	  -0.263204908961	  -4.148511320807	  -4.042772355622
C 	  -0.781552210383	  -3.616593827277	  -2.859104953766
C 	  -1.732310191001	  -2.590690184152	  -2.812558369395
C 	  -2.074028361122	  -1.987109756936	  -4.015598925702
H 	  -0.237720051205	  -3.895174039631	  -6.192513239556
H 	   0.359828778034	  -5.046597255298	  -4.047139497781
H 	  -2.166004194570	  -2.262648386233	  -1.866931857628
H 	  -2.776190485341	  -1.151624841835	  -4.025477425237
O 	  -1.444885227658	  -5.091364674073	  -1.657587587571
S 	  -0.859864555466	  -5.221219940120	  -0.281710398487
O 	  -0.432926455177	  -6.553527262153	   0.091537864914
O 	   0.092803741182	  -4.112245235436	   0.002256290287
C 	  -2.300055811514	  -4.807839993572	   0.803359012111
F 	  -2.775915783266	  -3.613515465586	   0.483451406286
F 	  -3.255406362928	  -5.708443079008	   0.649408088428
F 	  -1.918007637011	  -4.794567361478	   2.069278957429
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 170), G = -3500.872554597376
Pd	   0.875796174126	  -3.245257731662	  -1.913226334173
P 	   2.998809945519	  -2.337195557847	  -1.432875508206
Cl	   4.578810242824	  -3.569772696329	  -1.502120609610
Cl	   3.239047920813	  -1.444268065910	   0.346371670174
Cl	   3.550474500897	  -0.881526133641	  -2.697158398227
C 	  -1.524860558598	  -2.458097972838	  -5.214748917720
Cl	  -1.991037567302	  -1.690610913933	  -6.710456574230
C 	  -0.640154951669	  -3.529779317059	  -5.246416262748
C 	  -0.267951057165	  -4.152351014922	  -4.045923300549
C 	  -0.776616497907	  -3.616034802477	  -2.859978395436
C 	  -1.724032420088	  -2.586919011417	  -2.810648423553
C 	  -2.072128470530	  -1.985441786664	  -4.012997373344
H 	  -0.256233618637	  -3.905324536054	  -6.196316720535
H 	   0.352374134957	  -5.052211708817	  -4.051760796830
H 	  -2.152203274870	  -2.256471659577	  -1.863309595087
H 	  -2.772736277005	  -1.148631443281	  -4.020597172526
O 	  -1.442251743778	  -5.088253795404	  -1.662129506093
S 	  -0.858834310580	  -5.221022076528	  -0.285683103673
O 	  -0.434633892849	  -6.554651873713	   0.085848975292
O 	   0.094968774567	  -4.113807588251	  -0.000048164862
C 	  -2.299972194625	  -4.807533108284	   0.798135979505
F 	  -2.773292318086	  -3.611757060330	   0.480152521807
F 	  -3.256546903612	  -5.706207600650	   0.640681007761
F 	  -1.919910493748	  -4.797786483961	   2.064635449145
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 180), G = -3500.872449757703
Pd	   0.884458134592	  -3.240534888359	  -1.913509651973
P 	   3.010276416850	  -2.331749504864	  -1.424105261635
Cl	   4.587096350989	  -3.569207702243	  -1.476521218755
Cl	   3.237680789227	  -1.435486215438	   0.355149524951
Cl	   3.576670294274	  -0.880781440587	  -2.687239767572
C 	  -1.538397482670	  -2.463818151628	  -5.212236453885
Cl	  -2.019485592219	  -1.703275676714	  -6.706837927851
C 	  -0.653814149827	  -3.535682260315	  -5.247749701031
C 	  -0.271238467686	  -4.154064788421	  -4.048735803658
C 	  -0.769109693145	  -3.614540146607	  -2.859570752994
C 	  -1.715799004748	  -2.584529868703	  -2.806267125484
C 	  -2.074539185514	  -1.986813324373	  -4.007456326899
H 	  -0.279010733618	  -3.914999414999	  -6.199773659013
H 	   0.348318295586	  -5.054335520607	  -4.056887815033
H 	  -2.138101120310	  -2.252152088027	  -1.856908158328
H 	  -2.776176260855	  -1.150848799388	  -4.011757152292
O 	  -1.431650664157	  -5.087982917550	  -1.670012304246
S 	  -0.855238175664	  -5.221341925734	  -0.290331237151
O 	  -0.437159693454	  -6.556151396412	   0.083718646217
O 	   0.099968560140	  -4.116520439908	  -0.002281651011
C 	  -2.301124093622	  -4.803932840782	   0.785864250883
F 	  -2.767908309797	  -3.605810445284	   0.467070931163
F 	  -3.260169619705	  -5.698587903428	   0.621230519240
F 	  -1.928661452013	  -4.797766279174	   2.054578542643
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 190), G = -3500.871381836645
Pd	   0.896257890125	  -3.232448103688	  -1.912755608585
P 	   3.027658883389	  -2.325243222448	  -1.412786700309
Cl	   4.597578053858	  -3.571753546425	  -1.456703869368
Cl	   3.248310653012	  -1.432942836324	   0.369283035208
Cl	   3.609795293038	  -0.875967949134	  -2.670657154318
C 	  -1.556027123389	  -2.472682976010	  -5.209507781900
Cl	  -2.057937296185	  -1.723965377451	  -6.703328362996
C 	  -0.670181266775	  -3.543608151536	  -5.248752147796
C 	  -0.273709339255	  -4.154901949684	  -4.051064096099
C 	  -0.758656541038	  -3.610808916925	  -2.858490193089
C 	  -1.705405140073	  -2.580468778371	  -2.801396076334
C 	  -2.078441197720	  -1.989293613195	  -4.001495693463
H 	  -0.306803031229	  -3.928516671785	  -6.202957786981
H 	   0.345477531140	  -5.055288808177	  -4.061223253491
H 	  -2.120610714054	  -2.245423404254	  -1.849821456291
H 	  -2.782547163108	  -1.155394168588	  -4.002439181020
O 	  -1.418099898656	  -5.084155841839	  -1.679242499881
S 	  -0.851210735362	  -5.216639715178	  -0.295018985613
O 	  -0.435411482827	  -6.551395429595	   0.081530215498
O 	   0.100632449716	  -4.110718654091	  -0.002665649579
C 	  -2.305958658176	  -4.801611200502	   0.770428647080
F 	  -2.769581759203	  -3.602246763071	   0.451788533804
F 	  -3.263846271755	  -5.695369210917	   0.594454698816
F 	  -1.944397992813	  -4.800068650364	   2.042251812985
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 200), G = -3500.870004661507
Pd	   0.911668907413	  -3.221399962414	  -1.910193670169
P 	   3.051174037599	  -2.315000287473	  -1.397545896268
Cl	   4.612503325206	  -3.572523203964	  -1.432643041953
Cl	   3.265951849028	  -1.425604908495	   0.386657642621
Cl	   3.650347099397	  -0.869315752852	  -2.651508773719
C 	  -1.578794285513	  -2.485070795250	  -5.205344805177
Cl	  -2.108814411207	  -1.753266806947	  -6.697956693492
C 	  -0.691373185150	  -3.554841815465	  -5.249020846508
C 	  -0.276576065592	  -4.156103658251	  -4.053118957385
C 	  -0.744336433726	  -3.605498208720	  -2.856462860599
C 	  -1.690708912614	  -2.574306002720	  -2.794967304221
C 	  -2.082630660493	  -1.992365486474	  -3.993606969802
H 	  -0.343478517735	  -3.947892987634	  -6.205634698074
H 	   0.341753884857	  -5.056874785032	  -4.065405034512
H 	  -2.096568910764	  -2.235096737990	  -1.840871090819
H 	  -2.789847537924	  -1.161132016597	  -3.990338344795
O 	  -1.400968202205	  -5.077828591678	  -1.691470025265
S 	  -0.846991309444	  -5.211413950469	  -0.301442308847
O 	  -0.436457442384	  -6.547209197961	   0.076897428568
O 	   0.102220031244	  -4.105972607686	  -0.002334165948
C 	  -2.313164922584	  -4.799019763880	   0.749800988440
F 	  -2.769354943131	  -3.595827612177	   0.435210411921
F 	  -3.271414990576	  -5.688435579363	   0.554910791782
F 	  -1.967253261045	  -4.808913220063	   2.025818670504
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.0, θ = 210), G = -3500.867678368306
Pd	   0.937108039001	  -3.210281999897	  -1.906443198332
P 	   3.088839577313	  -2.305309418089	  -1.380070522640
Cl	   4.639121353073	  -3.576500618149	  -1.411778697232
Cl	   3.302431876461	  -1.421170293440	   0.406837310323
Cl	   3.704358664194	  -0.862839812368	  -2.629787678342
C 	  -1.613338695956	  -2.500231078836	  -5.190078464647
Cl	  -2.185561578250	  -1.786832500933	  -6.676104583243
C 	  -0.719013731324	  -3.564004493864	  -5.245869034672
C 	  -0.275236626930	  -4.154878511899	  -4.056062574275
C 	  -0.721087173159	  -3.602913932678	  -2.851525566422
C 	  -1.671639572712	  -2.575319380750	  -2.777854266054
C 	  -2.092998130069	  -2.002610967320	  -3.970984602288
H 	  -0.391911183212	  -3.962678679222	  -6.207399490088
H 	   0.345416243567	  -5.053681028107	  -4.075686801744
H 	  -2.064455084324	  -2.236176914578	  -1.818230562843
H 	  -2.807687755902	  -1.177926730074	  -3.957491059539
O 	  -1.359726521627	  -5.084364478236	  -1.710759683987
S 	  -0.838461711264	  -5.204601076841	  -0.305914741188
O 	  -0.437863868984	  -6.537539514442	   0.092001490378
O 	   0.102437403125	  -4.095724404204	   0.001407378488
C 	  -2.331220903483	  -4.787912611183	   0.706173932963
F 	  -2.788978504360	  -3.592670512351	   0.364268109936
F 	  -3.278179051320	  -5.686992837754	   0.501077786286
F 	  -2.015467921201	  -4.777752144328	   1.989705965456
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 120), G = -3500.874264457571
Pd	   0.856899559165	  -3.238594155282	  -1.903544933583
P 	   2.968921934484	  -2.373058145092	  -1.432777413954
Cl	   4.597037052589	  -3.693289275789	  -1.434729351870
Cl	   3.278121900315	  -1.363512217766	   0.377912919806
Cl	   3.638165016232	  -0.929218554988	  -2.797428072016
C 	  -1.539822569336	  -2.444698126579	  -5.217225267294
Cl	  -2.010016097948	  -1.674212928149	  -6.708659514316
C 	  -0.626383012336	  -3.491740636613	  -5.251381339031
C 	  -0.250622540305	  -4.117355164649	  -4.053099856590
C 	  -0.786434391708	  -3.600974516739	  -2.873008758052
C 	  -1.761565955417	  -2.602276264430	  -2.816005231520
C 	  -2.112828643409	  -1.999148006175	  -4.016742945274
H 	  -0.223141558770	  -3.847965465906	  -6.200565343263
H 	   0.394998135145	  -4.999493890020	  -4.060389185848
H 	  -2.202720808267	  -2.289704450714	  -1.868821419518
H 	  -2.833848830456	  -1.179948399338	  -4.023378029586
O 	  -1.422037764677	  -5.122464376189	  -1.654641817337
S 	  -0.850582087195	  -5.222640855244	  -0.273399007603
O 	  -0.402421676763	  -6.539389294925	   0.128296347184
O 	   0.082911512151	  -4.091895558816	   0.001818450877
C 	  -2.302409284539	  -4.811374473054	   0.796998659098
F 	  -2.791825011500	  -3.628793823058	   0.454377362827
F 	  -3.244793732402	  -5.726775574797	   0.651287825237
F 	  -1.928716002405	  -4.772389785240	   2.064536367899
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 130), G = -3500.874236957004
Pd	   0.860301594091	  -3.248667727013	  -1.905669643329
P 	   2.968093635424	  -2.372311559345	  -1.432656895222
Cl	   4.614313313727	  -3.669845886167	  -1.434169709114
Cl	   3.261098013940	  -1.360433831956	   0.379433248765
Cl	   3.619621096180	  -0.917431510340	  -2.794168493144
C 	  -1.536269679814	  -2.444389563341	  -5.217394175283
Cl	  -2.004843988016	  -1.671452581291	  -6.708104461794
C 	  -0.631028193239	  -3.498634353239	  -5.253417789556
C 	  -0.256396344058	  -4.126199721781	  -4.055950806477
C 	  -0.784522180902	  -3.604733796564	  -2.874638030831
C 	  -1.751717520722	  -2.598467408681	  -2.815497898352
C 	  -2.102141772853	  -1.993474243118	  -4.015663098814
H 	  -0.233145323413	  -3.858396867939	  -6.203544361490
H 	   0.383150320323	  -5.012700232203	  -4.064249377128
H 	  -2.187959089668	  -2.282250568889	  -1.867176383902
H 	  -2.817111392562	  -1.168968814960	  -4.020733773468
O 	  -1.429979941894	  -5.121135705907	  -1.654678562166
S 	  -0.854945598475	  -5.227025897933	  -0.275472219205
O 	  -0.411635857588	  -6.546645812103	   0.122248048205
O 	   0.084521159827	  -4.101220759994	  -0.000482337477
C 	  -2.301973886842	  -4.811441277985	   0.799683846034
F 	  -2.788095582528	  -3.626801183896	   0.459521103387
F 	  -3.248063163808	  -5.723349264602	   0.656039940338
F 	  -1.924384474477	  -4.774935370298	   2.066172276309
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 140), G = -3500.874336007374
Pd	   0.863269768373	  -3.254408444779	  -1.907387977045
P 	   2.968747121479	  -2.370967405229	  -1.431591880991
Cl	   4.626721318835	  -3.653386560159	  -1.438576740323
Cl	   3.251438551891	  -1.364843905276	   0.385341624497
Cl	   3.607461115147	  -0.903322411384	  -2.785450438180
C 	  -1.534946295203	  -2.445535591581	  -5.218025810796
Cl	  -2.003383689096	  -1.671985612709	  -6.708493758141
C 	  -0.635537477471	  -3.504862827010	  -5.255170372602
C 	  -0.260901981510	  -4.132926206526	  -4.058101499472
C 	  -0.782653745814	  -3.607104620291	  -2.875859558693
C 	  -1.744325109580	  -2.595565354451	  -2.815442385314
C 	  -2.094984292978	  -1.990078647472	  -4.015386160813
H 	  -0.242126824410	  -3.867798190680	  -6.205969272596
H 	   0.374232950410	  -5.022546242808	  -4.066924767794
H 	  -2.176752384488	  -2.276316413930	  -1.866328486933
H 	  -2.805819951774	  -1.161991926471	  -4.019476397863
O 	  -1.434723949513	  -5.119461357544	  -1.655084444125
S 	  -0.857622271065	  -5.229100477093	  -0.277078214502
O 	  -0.417716135825	  -6.550635209791	   0.118118097532
O 	   0.085704569642	  -4.106586218489	  -0.002257144433
C 	  -2.301686913472	  -4.810675379420	   0.800943694171
F 	  -2.785474037772	  -3.624608721843	   0.462458948901
F 	  -3.250238404313	  -5.720192719954	   0.658354997815
F 	  -1.921796788847	  -4.776013494664	   2.066818393965
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 150), G = -3500.874442185203
Pd	   0.864947893420	  -3.257496893673	  -1.909138639187
P 	   2.968663232457	  -2.367580196135	  -1.428736029848
Cl	   4.637843750186	  -3.635227806561	  -1.446681309179
Cl	   3.242395353001	  -1.374396049164	   0.396686308633
Cl	   3.593695702668	  -0.882403488451	  -2.769802532798
C 	  -1.532146060960	  -2.448320698922	  -5.222597743116
Cl	  -1.998890301228	  -1.677055368527	  -6.714817802571
C 	  -0.641240536527	  -3.515069982138	  -5.258139035110
C 	  -0.268008746635	  -4.141472001856	  -4.059969671536
C 	  -0.781675614120	  -3.607016743196	  -2.877984463221
C 	  -1.735157668352	  -2.587579967279	  -2.819033985895
C 	  -2.084908440787	  -1.983817897391	  -4.020223494314
H 	  -0.253318421565	  -3.884498097777	  -6.208715823719
H 	   0.360583880689	  -5.035668316493	  -4.067062782730
H 	  -2.162979313373	  -2.262093937400	  -1.869929539280
H 	  -2.789807252009	  -1.150672248524	  -4.025346575517
O 	  -1.446883571869	  -5.109637130028	  -1.654200078867
S 	  -0.862200711138	  -5.228648964352	  -0.280246194515
O 	  -0.422712210466	  -6.553371001820	   0.104758842755
O 	   0.084879604426	  -4.109643138429	  -0.004408113569
C 	  -2.299672139944	  -4.814166296397	   0.808092948440
F 	  -2.782916121015	  -3.624973882130	   0.480415852690
F 	  -3.250674880714	  -5.721000962288	   0.664348085927
F 	  -1.912932283497	  -4.789102870627	   2.072162222823
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 160), G = -3500.874311355366
Pd	   0.866860397138	  -3.256466898643	  -1.909988518046
P 	   2.970387702639	  -2.362435152275	  -1.424393184497
Cl	   4.644665067029	  -3.623292643916	  -1.444842932280
Cl	   3.236141148566	  -1.376878487774	   0.406335469302
Cl	   3.591391708183	  -0.867939050397	  -2.756934229866
C 	  -1.532395600479	  -2.451759308976	  -5.226576620300
Cl	  -1.999960795246	  -1.684482272367	  -6.720640617039
C 	  -0.648986972261	  -3.525020308321	  -5.260607771678
C 	  -0.275356099934	  -4.148547067641	  -4.061344783752
C 	  -0.780175387417	  -3.605453965416	  -2.879362082878
C 	  -1.726371645196	  -2.578970647883	  -2.821806713307
C 	  -2.076972359501	  -1.978008925522	  -4.024295933730
H 	  -0.267355887586	  -3.901266268832	  -6.211078746517
H 	   0.347352314574	  -5.046773906911	  -4.066732136462
H 	  -2.149360640535	  -2.246899294110	  -1.872770299403
H 	  -2.776775942946	  -1.140573124788	  -4.030300667248
O 	  -1.455238142064	  -5.100106175893	  -1.655010608580
S 	  -0.864978429694	  -5.227684298583	  -0.284176847525
O 	  -0.425425542699	  -6.555136747912	   0.091302340656
O 	   0.084327308717	  -4.111254800157	  -0.006374550062
C 	  -2.297746743408	  -4.818627254488	   0.812491972884
F 	  -2.780195479736	  -3.626214597631	   0.496062024378
F 	  -3.250729082280	  -5.722838487071	   0.665201804819
F 	  -1.906215753213	  -4.804284254043	   2.075274077427
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 170), G = -3500.874298782918
Pd	   0.874346884288	  -3.255362989490	  -1.910314019387
P 	   2.979482888336	  -2.359205434945	  -1.419137334915
Cl	   4.654182569006	  -3.619544603501	  -1.437010731661
Cl	   3.238552612508	  -1.378845442542	   0.415348205365
Cl	   3.603794851282	  -0.860781082794	  -2.745703150943
C 	  -1.541785160430	  -2.456033813176	  -5.223625325784
Cl	  -2.020016872788	  -1.692310295362	  -6.716190176390
C 	  -0.658115268200	  -3.529112381357	  -5.261392382147
C 	  -0.276713862181	  -4.150558944222	  -4.063714048358
C 	  -0.773837433922	  -3.606164100863	  -2.878968698769
C 	  -1.720192809181	  -2.579715602314	  -2.817674770450
C 	  -2.078741282888	  -1.980515173121	  -4.018726845653
H 	  -0.282838996452	  -3.907053508082	  -6.213746165983
H 	   0.345858660580	  -5.048819390353	  -4.071663615986
H 	  -2.139127950192	  -2.247677383523	  -1.866787830857
H 	  -2.779709951401	  -1.144006114377	  -4.021616829108
O 	  -1.446199890996	  -5.102221505704	  -1.660514433019
S 	  -0.862690922227	  -5.227783179327	  -0.286401064165
O 	  -0.428282383326	  -6.555446750344	   0.094098815684
O 	   0.087513280995	  -4.112724338425	  -0.007688998284
C 	  -2.300258899087	  -4.813407556471	   0.802023574302
F 	  -2.778563696219	  -3.620744491413	   0.480277951610
F 	  -3.254312063987	  -5.715970596261	   0.651785968257
F 	  -1.915459160868	  -4.796909261596	   2.066772352923
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 180), G = -3500.873741512963
Pd	   0.882293602061	  -3.249781921601	  -1.909267243574
P 	   2.990317482972	  -2.352313505229	  -1.410898966694
Cl	   4.662147206617	  -3.616470977412	  -1.424932907930
Cl	   3.243912913793	  -1.378376017505	   0.427757128260
Cl	   3.622723302849	  -0.851755965570	  -2.731124343213
C 	  -1.553566367127	  -2.462632991607	  -5.221658264085
Cl	  -2.045370118684	  -1.706551556702	  -6.713788356721
C 	  -0.670899086864	  -3.536623089626	  -5.262079081426
C 	  -0.280133191944	  -4.153301212246	  -4.065350798661
C 	  -0.766453541203	  -3.604433411721	  -2.878096126698
C 	  -1.711323318519	  -2.576431457757	  -2.814049139949
C 	  -2.079535162934	  -1.981522297606	  -4.014441776910
H 	  -0.304620741330	  -3.919249548146	  -6.216036595574
H 	   0.341045812427	  -5.052380137073	  -4.074705868250
H 	  -2.124504559591	  -2.241608257075	  -1.861581973378
H 	  -2.780876959626	  -1.145356762636	  -4.014948205672
O 	  -1.437490169866	  -5.100720704055	  -1.667659629919
S 	  -0.860249900776	  -5.227507932792	  -0.290725694454
O 	  -0.431495530397	  -6.556439192627	   0.091517270558
O 	   0.091396329063	  -4.114860475031	  -0.009387516716
C 	  -2.302344034884	  -4.810257735568	   0.790844433381
F 	  -2.775563029993	  -3.615782318129	   0.468228320661
F 	  -3.258104180570	  -5.709882623377	   0.634131036382
F 	  -1.924421612813	  -4.796673848458	   2.057684746869
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 190), G = -3500.872679492193
Pd	   0.896144087762	  -3.243109027507	  -1.907762920585
P 	   3.008408107184	  -2.344985299753	  -1.399774707167
Cl	   4.675262225149	  -3.615767204058	  -1.409583036332
Cl	   3.257040086340	  -1.378860796515	   0.443660576483
Cl	   3.652433467755	  -0.843173954628	  -2.712901949193
C 	  -1.572721176171	  -2.472351467301	  -5.216513780179
Cl	  -2.087777489996	  -1.727849671361	  -6.706723574184
C 	  -0.687688631067	  -3.544411900101	  -5.262187587548
C 	  -0.281270304676	  -4.154370207215	  -4.067685012034
C 	  -0.754089403973	  -3.602324537087	  -2.876328668534
C 	  -1.700103677626	  -2.575106699862	  -2.807008948879
C 	  -2.084279889257	  -1.986226797870	  -4.005398699881
H 	  -0.333434345478	  -3.931675610233	  -6.218795307254
H 	   0.340475080464	  -5.052906811612	  -4.080315579132
H 	  -2.106005279067	  -2.238661315227	  -1.851969884219
H 	  -2.788948365134	  -1.152871581736	  -4.001261992198
O 	  -1.419506635605	  -5.101081569552	  -1.678353057303
S 	  -0.855504867796	  -5.224631248027	  -0.295121724860
O 	  -0.433035484187	  -6.553478254206	   0.094279839288
O 	   0.094597729439	  -4.112289325832	  -0.010012761406
C 	  -2.308463692368	  -4.803853758260	   0.770856577361
F 	  -2.774348169518	  -3.607461251298	   0.444445955101
F 	  -3.265087803826	  -5.700304715121	   0.601941425981
F 	  -1.945210425689	  -4.793160935197	   2.041945262960
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 200), G = -3500.871181555375
Pd	   0.912160052014	  -3.232042570227	  -1.904472520913
P 	   3.030854281391	  -2.334129518522	  -1.385091559491
Cl	   4.689287886808	  -3.615907050254	  -1.388863857889
Cl	   3.276311647519	  -1.374190065181	   0.461952956740
Cl	   3.690792452571	  -0.834817189122	  -2.693078588699
C 	  -1.595515712226	  -2.485148022392	  -5.211435019531
Cl	  -2.138786129019	  -1.757551217900	  -6.700096269193
C 	  -0.708390205419	  -3.555576278486	  -5.261607349388
C 	  -0.283322661828	  -4.155283294796	  -4.069034061461
C 	  -0.739271654094	  -3.597035446109	  -2.873816876682
C 	  -1.685550888057	  -2.569652314345	  -2.800043648226
C 	  -2.088845481426	  -1.990123368122	  -3.996752680297
H 	  -0.369549368768	  -3.950826459269	  -6.220488433057
H 	   0.337898494945	  -5.053964656426	  -4.083902627903
H 	  -2.082367467753	  -2.229189797262	  -1.842646371559
H 	  -2.796998004332	  -1.159782873206	  -3.988321101887
O 	  -1.401537421057	  -5.096054388004	  -1.691188933435
S 	  -0.851179876725	  -5.220027398973	  -0.301921644874
O 	  -0.435237551258	  -6.549901374115	   0.090735526085
O 	   0.097190398020	  -4.108679832202	  -0.010461366830
C 	  -2.315740132175	  -4.799978734004	   0.748912426805
F 	  -2.772938931590	  -3.599493807835	   0.425417774801
F 	  -3.273510932185	  -5.691437000428	   0.561142683636
F 	  -1.968867652704	  -4.800121282374	   2.024491989532
24
TS_CO-PdL1 (VL_PAr3, r0 = 2.1, θ = 210), G = -3500.868788749392
Pd	   0.938240192673	  -3.219974121669	  -1.899592813467
P 	   3.066862503178	  -2.324354497642	  -1.368323976477
Cl	   4.709534109042	  -3.626079538011	  -1.346380294012
Cl	   3.306989740151	  -1.351308365484	   0.472509575446
Cl	   3.755443813102	  -0.845674722711	  -2.684954500939
C 	  -1.631700005515	  -2.498633058368	  -5.193175026808
Cl	  -2.217691302426	  -1.788278037886	  -6.673994313247
C 	  -0.736142023543	  -3.561588497583	  -5.256818819635
C 	  -0.281026299435	  -4.151276230201	  -4.071203993935
C 	  -0.715853574979	  -3.593572648389	  -2.867782029398
C 	  -1.667967895032	  -2.571724080760	  -2.780460579149
C 	  -2.101613470977	  -2.000848392281	  -3.970756876904
H 	  -0.417863499286	  -3.961087710771	  -6.220890059174
H 	   0.343642078813	  -5.047123841918	  -4.094443983640
H 	  -2.051902243216	  -2.232830486869	  -1.817196618297
H 	  -2.818328918858	  -1.178093901223	  -3.951132528907
O 	  -1.356684916909	  -5.106334861088	  -1.712917555731
S 	  -0.840780376109	  -5.215423245998	  -0.308412064949
O 	  -0.435838481265	  -6.541804588167	   0.106322093710
O 	   0.099644528655	  -4.100600639828	  -0.009199744556
C 	  -2.332706019600	  -4.789292840205	   0.701378678372
F 	  -2.792233234154	  -3.598356417832	   0.346501451111
F 	  -3.278497768707	  -5.691747736778	   0.505908569525
F 	  -2.016641792953	  -4.764905477893	   1.984445857343
