X379	X410	X223	X150	X481	X417	X463	X192	X8	X265	X436	X218	X274	X155	X278	X264	X400	X298	X42	X82	X49	X470	X338	X138	X335	X29	X250	X14	X4	X433	X239	X63	X205	X152	X396	X46	X266	X368	X339	X471	X131	X71	X115	X383	X143	X66	X191	X166	X476	X69	X157	X258	X395	X9	X177	X79	X359	X100	X238	X3	X119	X426	X33	X77	X22	X121	X343	X323	X393	X414	X97	X371	X346	X57	X327	X397	X440	X65	X428	X130	X253	X198	X394	X40	X186	X404	X144	X315	X431	X297	X330	X48	X468	X374	X373	X412	X194	X86	X202	X399	X183	X313	X244	X478	X39	X164	X11	X271	X376	X5	X247	X256	X282	X200	X337	X55	X23	X128	X93	X122	X457	X188	X415	X1	X30	X147	X296	X290	X242	X248	X413	X216	X304	X221	X75	X276	X181	X38	X427	X497	X32	X203	X187	X344	X98	X456	X286	X225	X154	X321	X232	X114	X217	X441	X73	X168	X170	X423	X95	X307	X445	X288	X50	X447	X230	X331	X493	X161	X475	X357	X109	X224	X195	X279	X105	X215	X353	X111	X54	X486	X437	X401	X277	X196	X362	X466	X92	X133	X260	X88	X291	X182	X227	X229	X418	X324	X398	X90	X365	X31	X59	X480	X369	X134	X167	X377	X235	X185	X402	X120	X388	X268	X137	X311	X212	X292	X123	X251	X432	X350	X326	X176	X173	X345	X20	X490	X449	X325	X348	X340	X302	X113	X52	X347	X300	X281	X76	X21	X467	X62	X435	X420	X465	X89	X60	X245	X372	X81	X83	X165	X495	X341	X477	X163	X499	X6	X19	X262	X129	X479	X492	X25	X375	X43	X460	X255	X151	X450	X56	X309	X149	X44	X36	X314	X67	X171	X452	X306	X496	X455	X148	X159	X169	X210	X273	X305	X135	X464	X140	X252	X85	X124	X249	X442	X41	X102	X96	X246	X301	X461
sp1	0.628952692427249	0.307818997514432	0.749144201543823	0.733254612956596	0.754043875209668	0.414569350637881	0.281435342925087	0.821416304612903	0.284232591555827	0.00183763869063626	0.332180862514685	0.622210326621148	0.873095307586902	0.471917151707762	0.700670811444452	0.676849280777784	0.0541341009698568	0.415750306866537	0.564305372326502	0.795471764213306	0.843965007815964	0.237151774815054	0.591775002851757	0.13895148297174	0.2544231146995	0.000336305037344172	0.127805156853731	0.37198186682824	0.580144316217167	0.604973112541539	0.0633342474718416	0.79051467211364	0.158527073352623	0.913410807615906	0.495169560516686	0.140996271996195	0.354848481818088	0.714798168428718	0.218843488385333	0.300855400293521	0.539303729120167	0.469965233338563	0.782465663959294	0.146609729232703	0.414767013976516	0.173415868255943	0.258773801393733	0.658168206506645	0.65550175817346	0.186077440720024	0.478550415693661	0.382350759834784	0.29881309221812	0.506434360931547	0.144959331454255	0.172894030647066	0.414684378379243	0.665340755348984	0.818696717387684	0.0195858275378143	0.230410971202308	0.359178697900358	0.790265593751582	0.744408607370386	0.561768174511516	0.262849169838382	0.749472368251856	0.671851928179946	0.259726648486454	0.239385874859222	0.646254960247438	0.813378216945805	0.699908957453305	0.00477659307443541	0.585217259419483	0.213436759982415	0.392739833389306	0.0234254661043135	0.862438281235069	0.304774649134958	0.315507294721718	0.741605171617533	0.469744993033314	0.726311925099969	0.0791182588883777	0.620061175073305	0.470641654479291	0.300782277768523	0.674648246704051	0.112593516943846	0.0285650507872481	0.710056877959676	0.222894557110234	0.467989938450224	0.581605858865085	0.152588317536553	0.899532198517866	0.235009470958602	0.693824779071515	0.0908381129432182	0.0217454350057074	0.389664948277699	0.175878818593973	0.328832241265184	0.80770016213849	0.135392245832882	0.507151539623549	0.386681154700195	0.554590125055846	0.340154079292077	0.0694468514309909	0.875000438364681	0.790089623914453	0.734307562204882	0.727988043485655	0.0471685966048501	0.423360734878614	0.558731467710688	0.132621131258586	0.987357850149361	0.516316127906306	0.933891845815002	0.629375330667855	0.640742591867973	0.446921385035047	0.326816031191723	0.374223178296092	0.0527676983520467	0.312715431766221	0.820626887322126	0.0626595718644157	0.28244377002497	0.411649889002961	0.920393452081199	0.837484186934053	0.533007658971885	0.425335959760758	0.0178798479410741	0.77503681108894	0.614096868713469	0.503590302138205	0.922805452592971	0.317270533986933	0.210503943333824	0.4493986238417	0.4288956370413	0.739731330588428	0.15044307189732	0.494614845555653	0.397210128354196	0.459098837775855	0.359453783526683	0.264126809889169	0.555974285566592	0.199116536922376	0.392557964619313	0.282809248407806	0.376833965100818	0.713857253453556	0.620532014215545	0.418085662362465	0.988797522607791	0.363801553081391	0.655307365923331	0.459413146438508	0.201615747281618	0.0433140358505768	0.377326460780154	0.217353759483022	0.682796830020416	0.744914234931468	0.554808715387569	0.26148365846966	0.736382482338726	0.509514269295387	0.163262415664526	0.21446498691676	0.926336563985982	0.682634991542979	0.113700611169239	0.808658340947739	0.663991187405346	0.143480613906075	0.241512249328189	0.750172932923585	0.817880316713124	0.52083044299991	0.0412151752521004	0.529266885236889	0.524168247559154	0.49576515893308	0.0293890844290421	0.0608591656553002	0.0316076922264654	0.325532224190525	0.166888102180589	0.0923489317780491	0.491055971817228	0.229397595415536	0.69697398937836	0.722329077043875	0.370524276051989	0.446480448789536	0.839675988589197	0.309945718736552	0.88314166081606	0.419905042451046	0.203578409288767	0.791776608958927	0.820384275463215	0.421759076444472	0.723374896821641	0.0150548652781246	0.749771062494741	0.792193189906225	0.669336395339318	0.841849062560133	0.217046101044863	0.777406851192292	0.0173384672924608	0.297013601205426	0.748161809573029	0.363934842522026	0.224167089550068	0.43832305352902	0.441283394989958	0.245606261672105	0.4648979072319	0.180624951677905	0.375536200606729	0.2067086351541	0.536401361944417	0.618023584973721	0.896234643271787	0.314013590109151	0.369052158951849	0.675740179480547	0.732069886243213	0.266562704504887	0.801232286894409	0.894228250933029	0.202640565737558	0.000158638795373552	0.604862376092144	0.905747984191348	0.545340806386317	0.53723381174799	0.124496999240995	0.254728784645441	0.416821006619489	0.475890793730013	0.135316548128622	0.497746824342547	0.277101783189718	0.203469451017387	0.819960493597178	0.556844630718312	0.534669925244884	0.0508570795720022	0.50743741077172	0.499409404656938	0.272902442081331	0.78134312228693	0.143603033718432	0.507084920403101	0.412592237040701	0.561279928720429	0.467953927004452	0.299180332686659	0.850634516025487	0.399517133486575	0.201560786298288	0.0598502083080945	0.625598312708111	0.875931950388399	0.567809318602425	0.0774658878722523	0.352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sp2	0.997983997454867	0.882855568779646	0.34402945083844	0.631098931427774	0.199651444767807	0.386588361954212	0.81239432665575	0.203496722441612	0.601190312784932	0.903345497325063	0.782044383930043	0.82299180305563	0.59911756659858	0.385878915200011	0.464826349278156	0.96152567949641	0.439719059970277	0.608959761292439	0.985145516185163	0.513906817730039	0.600921126404846	0.176014080427414	0.961243908619509	0.881803866157884	0.877367594745011	0.711069145829192	0.0987339433383433	0.858711578883231	0.412171686785156	0.115099401377545	0.908694617025337	0.994253863347695	0.758191433646594	0.114642163239298	0.324070961032936	0.715330668726632	0.475383921526373	0.251640852320761	0.640645597030875	0.610779251902378	0.257082511966701	0.813960765255616	0.738385432147685	0.244634841346462	0.0760705195762768	0.249831383580239	0.694200737838045	0.0126126059959546	0.448739628372959	0.692497271537496	0.668312470428646	0.647724503419978	0.19513964463128	0.893036096358905	0.206305840739626	0.662590951255794	0.470363912229609	0.477380650450753	0.673415593737982	0.305046034322332	0.272605848156589	0.136824174957633	0.412772071082146	0.529484174447135	0.321781604654063	0.141381548400391	0.538442574208603	0.935195025522262	0.814011928159744	0.913453911477297	0.309860553356094	0.431892703103839	0.213566246626399	0.224308252922895	0.80992697814343	0.801720632203569	0.196773048686006	0.739055401627814	0.659927637083457	0.605422175662334	0.268828544409049	0.812839955508927	0.581314513486501	0.58284875098616	0.0162912287138334	0.0954282360261717	0.696164038215612	0.789578696360483	0.36554387953045	0.573268260521913	0.0182229744210618	0.399684928472	0.538988631135967	0.683462041197345	0.244818857845977	0.962173139625045	0.740757799707354	0.659620314654589	0.845338221325973	0.837225136476498	0.673781401368122	0.4210523855873	0.459927063831823	0.873237838490053	0.176633762032069	0.159575084691989	0.486651761224496	0.719352374113932	0.47197132726997	0.402977642120966	0.741219014842916	0.681080377427863	0.411531705189646	0.217573969045453	0.348951207241044	0.638714476790897	0.48007015627822	0.389272553128406	0.505816875724123	0.151746691214997	0.319679313676037	0.0800619609295829	0.0985709124211638	0.557676043742856	0.488243208149285	0.484739244779295	0.432719546078242	0.877904168038286	0.963621939066818	0.24361716398355	0.945887408683799	0.677458575464235	0.088076566577218	0.459731125065147	0.978578212438152	0.927076211199165	0.631374584278093	0.847233226223214	0.202341901693543	0.0112897370693099	0.407923139567132	0.155193320587063	0.0487291922618991	0.146301590418856	0.764378440176002	0.2921908489631	0.336393312551082	0.5992054525943	0.216933716331426	0.333235234555411	0.861670605838299	0.32541090953256	0.87618331774138	0.122137041048055	0.789152146187988	0.454736620886252	0.112250451614071	0.610115323949055	0.364503383478778	0.152771798931964	0.646175555906312	0.15881645686236	0.800477986218348	0.179640532954453	0.502916772674248	0.846042047254744	0.437534543948759	0.263513217914611	0.732908778125425	0.950745932757855	0.629813908972214	0.38729565849804	0.887290790444241	0.162203123005728	0.738948583602906	0.410254412206954	0.397201944257706	0.269692564188282	0.183590055220682	0.341145249982776	0.456966171927861	0.912764749722556	0.153852804555145	0.181490895952152	0.060870296776301	0.0347221211165956	0.166859588292994	0.240023643971481	0.314289994305009	0.787017170401438	0.91806389275007	0.934331581459893	0.304051403423857	0.0779528158832091	0.862914143595845	0.538206448545862	0.0603330634422466	0.593095151686609	0.493717902328583	0.430487669661194	0.58917638892308	0.892894956099661	0.512975488584931	0.118514034892771	0.763763335896256	0.390749763772701	0.736526612678544	0.670298818267444	0.915148531552405	0.14509763362016	0.978929147803884	0.0273865705121999	0.191982993180125	0.782543660782176	0.525642188580636	0.821312215644867	0.225180199618475	0.48276757271757	0.694562581367791	0.29868302771149	0.372037120451419	0.625179147580639	0.79164763058805	0.794259101892051	0.12910605348385	0.623996034709548	0.463961476789066	0.495059213368223	0.120392090285399	0.259929637684816	0.956345653586434	0.959848873604122	0.781067358588462	0.462572355633991	0.661398805987841	0.678117547649891	0.673847544938327	0.557825117604808	0.884637052686553	0.400629372325142	0.105904343186802	0.433829784393624	0.720999076943361	0.0911394860546009	0.551995882156448	0.792484885698256	0.715350239537657	0.596696591237561	0.749943987238367	0.651571682377312	0.901992083527148	0.142371740514068	0.184205914486257	0.671329569308272	0.747365004953712	0.657452656607439	0.499304894357921	0.434032828293889	0.897751373236112	0.48401834278646	0.124763238363152	0.934049692536113	0.27308074118196	0.156062409910319	0.812304781749845	0.326113265420442	0.481471666135184	0.986054293811322	0.891821067147341	0.984167933156691	0.228089234269921	0.765195320644079	0.917519270271094	0.350396581066185	0.221412612820366	0.677999281790108	0.847995122428984	0.0808389543974369	0.63651075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sp3	1.1601533088588	0.602937208957222	1.09936038131756	1.34488839174353	0.850365843051867	0.10693818057219	0.144452888786814	0.420759484941082	0.621940871891092	0.906510190248895	0.840714313068917	0.308585473975381	0.519197038562244	0.747433489879149	0.660000766114581	1.249318866896	0.880081784335061	0.405140376272866	1.02697650000623	0.731277702613126	1.22394840913632	0.277583963339677	0.512740956269226	0.59186655889339	0.705806886719491	0.472923299217483	0.430288059787953	0.486356626725718	0.584620629328106	0.993004157499019	0.520467593588348	0.664646318493937	0.375237662479968	0.576313626297419	0.606411386042063	0.696739380911709	0.631890219783569	1.11738066135281	0.652324544428406	0.799965364210636	0.577541777768105	0.39947182406731	0.692642244402278	0.595760078332837	0.341377284963027	0.399763572592041	0.933449650833611	0.854746167618475	0.936414696866136	0.604828591890876	0.931731856168528	1.07422360083324	0.160231635913205	0.848017649413315	0.433425145879042	0.710249053355	0.702390324157214	0.948219074662625	0.979319388090205	0.1743971834136	0.18958477568191	1.0598252162127	0.495447221168805	0.408869063076353	0.561497487472742	1.08396464676537	0.844306691127769	0.937757012865977	0.329832118048504	0.382272445891524	1.10657687613806	0.569297294454594	1.33914249098097	0.749601938879121	0.757404479753802	0.871755871032644	0.568566351597308	0.680207352906535	0.757935133996575	0.152792238416266	0.526860455852807	1.12461944936002	0.826568984225194	1.20683722973724	0.642875194267204	0.461481969709626	0.717592991787728	0.72890252833298	0.806951407223559	0.776773037130891	0.24893565712135	1.168614529501	0.466632205410717	0.638687594821391	0.84065607912646	0.636775066382067	0.676560890157233	0.149230874581714	1.11426086415819	0.883979285627269	0.980793022488754	0.777509932438486	0.737615070521976	1.040603352029	0.907426305390366	0.883712195600172	0.735848076707463	0.91382471135197	1.142142347663	0.362158297823006	0.590224585720355	0.855286791518578	1.00805731736813	1.25620073361871	0.824187298195005	0.298196946393748	1.08275273467177	0.415882561136418	0.995150565255071	0.748324601174429	1.13656134080129	0.516809908072793	0.510324024898678	0.941021881500596	0.39272508844885	0.195593209072592	1.05365444030081	0.810061829081346	0.246043164849397	0.721190101887483	0.196429491540075	0.394774177556324	0.665678699478337	0.753490497358533	1.025322352248	0.55753964477108	1.03762102270758	0.290309973217628	0.956000953473006	1.13265034110575	0.852564646307758	0.766362564090717	0.280075699016742	0.698571248220238	1.14890862243132	0.331570368644056	0.450241427868735	0.510296776649434	0.790178824355326	0.600664559780423	1.06354939668979	0.160558846151972	0.456585754732984	0.959842310451783	0.318772955414658	0.483177657536122	0.102875545793153	0.302919277184931	0.365523058877385	0.693244142853711	0.811623492741604	1.25067614256459	0.175301823125074	0.217499297611201	0.696196754145746	0.621184414881781	0.936164564263254	0.266934143429907	1.09841470562075	0.578754512382401	0.984038255704473	1.04673917153481	1.01840470565819	0.912127451203275	0.727152629962566	0.256455916275231	0.342075716908804	0.948746710582846	0.916603779089652	0.120436056177181	0.740325113059134	1.21468404470558	0.674113544522854	0.619423661569475	1.06544849616982	1.09337573548279	0.629527879530583	0.691008195681551	0.351692549731264	0.71575103742883	1.05449412360745	0.714469454877047	0.539765187849412	0.573254256607351	0.17343462464152	0.199805596373855	0.522331427503256	0.498147728219169	0.539978800039364	1.10077105652187	1.14448121426824	1.06356057268514	0.375700343018095	1.12882887505082	0.164916222430219	0.485454183223618	0.140502128398296	0.232043545585581	1.05856820737032	0.984523922096536	0.613333126040167	1.33406060635571	0.564589558084657	0.493993466613317	0.950817878841296	0.503781735071517	1.12527763972967	0.655786945076724	1.07879806218363	0.517098534696151	0.665413100649089	0.62329108954967	0.71810315608011	0.319424096163307	0.444505361563774	0.821966189652814	0.844926055978171	0.734100659139411	0.129298218947209	0.417979365681473	0.60808571924264	1.13738723529676	0.360811495061769	0.781156907770148	0.341795118164254	0.541633506329062	0.499585636281434	1.22981351629714	0.377380848413213	1.11751285962492	0.656132339469173	0.888891449476023	0.896335188121601	0.743887027113533	1.0660756849124	0.910143921763764	1.10363616894092	0.378205795383346	0.543888558011812	0.97199910643554	1.00700393492742	0.365380637913535	0.805739548722672	0.520539225694338	0.278700070135176	1.06779831197757	0.71533401042264	0.738957845749134	0.91995594503016	1.1427448267268	0.262976100363166	0.364590369985111	1.07948413415079	0.295071541950228	0.947305471574931	0.0527616018318337	0.709957944431947	1.12100511792701	0.738825754620625	0.736867729692073	0.86935246317612	0.32600376183907	0.0699543976002784	0.447725028606631	0.503665643120006	0.985370950285892	0.603185764529451	0.838525323926599	0.969564631877191	0.559665263221774	0.586535453246512	1.00166421677584	1.2487756892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sp4	8.36053433200856e-28	5.7508336662307e-14	0.0708238280511303	2.11301204868892e-11	1.5265741302454e-20	0.489877607289791	0.0169698843804598	0.000108282757092607	7.87324541058296e-06	6.12989475112498e-19	2.40246941095874e-21	3.11595242013991e-28	3.55365959008232e-18	1.16132657613732e-18	0.203172892475042	2.04022577771329e-06	1.17360507625753e-13	0.303872981720573	6.15408850576399e-06	3.04679351484441e-10	0.100705228988359	0.339438747061444	1.75652786514037e-19	7.17456508160003e-10	1.60800391016588e-19	0.00213136031605364	0.281424142108397	3.59163364753087e-27	0.175625937700731	2.22848521545091e-15	0.00150599155520574	1.4531422522237e-31	6.71369280133071e-10	3.79251324937027e-21	0.140182275701529	6.50418719614459e-12	4.311537652059e-18	0.00062683695328288	0.206915568288654	0.0799792436458152	0.445504592748771	9.82767470611966e-21	0.110618488112526	0.27084733718167	4.32089412624314e-09	0.474656974571488	0.340472825429881	9.72163320323663e-14	0.295461798862359	0.31195143837861	6.70512485603987e-17	6.08210630160968e-12	0.655722727206739	0.160022335683802	0.333667762742376	0.247064184334382	0.205347333370427	0.331114458813424	0.149243889678339	4.31084788103113e-05	0.502597974056631	0.447101006628271	2.12817013751755e-17	1.59143906174069e-27	9.43353564044376e-06	0.00247226041126389	4.86891247589576e-19	9.78343638724297e-29	1.65686574774901e-21	0.0881782361666882	0.238097712581324	0.29820225616586	1.15129675113527e-05	0.0531529925117503	0.13729424740139	0.000695830513246829	0.653156777946641	0.227598388896388	1.01621550840015e-28	0.251120548171215	1.9645366670242e-10	1.37152136370983e-05	0.012961341198001	3.62990108740572e-25	0.00343897414832458	0.296796075146991	0.12193999204707	9.61508992031386e-07	0.3672844914692	0.294464792874576	0.034455149242913	4.63257662517565e-09	0.481372781455821	2.3281830817772e-23	4.32533072600677e-06	0.247348686756794	3.054792979812e-29	0.124458255036858	6.48126350137876e-09	0.156165125533395	0.119911418843952	1.20716146187045e-13	0.271908813066826	0.128814404897735	9.84889439593675e-12	0.00333543846898615	5.3493712274049e-15	1.3300146277728e-07	0.303911800264558	0.153753416979381	0.192356698611872	5.22322723080881e-15	0.157557143136217	0.0764156210431154	8.07015416880301e-18	0.111758070216098	3.67799480760672e-13	2.57671241151555e-07	8.74590609656508e-18	0.352524126782305	2.58287702515146e-10	0.0191170069527783	0.151407735208852	0.236088615277961	4.36494620036587e-10	0.576910407938566	0.292560888410913	0.223022033192245	9.04642941598886e-14	0.029950340006399	0.00115463355107445	0.119638806385989	0.0435854150568286	0.117691870614229	5.09039259071323e-32	2.03534861682351e-32	6.07568283870856e-22	1.35223212720491e-06	0.249144865384516	1.26848692244697e-11	0.263638007895967	0.351104281983727	0.00820072426990828	0.42727860098317	8.21214852297178e-05	0.134586117486912	3.40234648472882e-23	0.0921823601785827	1.08859081875384e-10	0.31274874900435	1.9796362667571e-32	0.114919521446556	1.56233261359484e-22	0.323499235584229	4.85330930545658e-10	5.01681288845471e-20	0.2888753315314	0.0783284981515248	3.55019775104635e-06	8.96488138465505e-08	6.24020060075577e-07	0.317377002055601	0.410044894264969	0.499858231354726	0.0329128373689172	1.05258100633226e-14	0.00187460712178236	1.08126758892341e-13	1.63540596654362e-14	6.71127427267774e-26	0.176254164561704	2.5098643926716e-08	3.13221741386876e-26	0.37295639873308	1.55537296556693e-23	0.41341562497185	2.91975150479852e-06	0.186276597510475	3.03286594153138e-13	0.173940045363992	0.252584911438891	5.23148729591373e-37	0.0740818893884607	0.667842604366575	0.177602986874539	0.126959714794097	0.221668745309862	1.80265876098858e-11	8.27275334605876e-19	0.27666429974177	1.51447459879816e-34	0.168916116970292	3.06550108432636e-12	0.0758146170352086	1.24571891978305e-24	5.99662663523001e-13	0.000518014503042755	0.0764786529264417	0.272139568381986	5.13058241166553e-07	2.71477469550398e-30	0.176129387736498	0.359100259505618	0.217561684782577	0.101954911839255	1.84966671847898e-09	0.371418284645548	5.73182584876306e-12	1.08156235164262e-17	0.0662457098250652	4.68964108487707e-06	0.0827482382220079	2.10264904652568e-08	0.243483896428941	0.0621254292141424	9.8780421588239e-19	0.181902455043639	0.513481620220474	4.65652722109543e-18	3.3972486861556e-06	0.236422511170105	2.17315867408718e-30	0.0717562695923678	0.179705255072392	0.538247502209757	0.216833521543412	0.550773225871024	2.04961517953133e-16	0.105161509177485	0.202475118474338	0.0167906238472864	0.00135538580835144	0.313957798907701	0.0723234740138324	0.285539658441052	2.95537136273258e-23	7.95920337807556e-21	4.46166717465059e-25	0.0980545187946075	0.0301243928460645	1.30807611806119e-18	8.31288626531326e-13	8.91684261444853e-09	0.0140267894203446	0.199082065323546	0.0178221112229009	8.35320550843941e-17	1.55407881183176e-18	0.000611015338977508	2.37207541089058e-05	7.49199396603511e-19	0.227805242416956	0.518230472296152	3.37162202196788e-05	0.441229632428797	0.0598182018085869	3.8418700568663e-15	0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