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sample_locations.dat
500 lines (500 loc) · 40.3 KB
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sample_locations.dat
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Compound1 -328.66277275607 -12.0760958015453 2.8651035844814 0.270586189813912
Compound2 -494.193161791191 -14.6155034496915 2.45814135298133 0.873805371345952
Compound3 -450.896003423259 -12.5265734698623 9.06022124458104 0.110570507822558
Compound4 -493.989191018045 -12.4819980303291 4.73323616548441 0.043357097543776
Compound5 -419.05625378713 -14.5974085154012 3.69371877168305 0.659686531173065
Compound6 -357.742985291407 -12.1771662288811 4.59183902945369 0.0652565713971853
Compound7 -321.027613943443 -14.8479910867754 7.93530767667107 0.468546746764332
Compound8 -388.899554125965 -12.8693541402463 7.09490010165609 0.949638288002461
Compound9 -445.444991439581 -14.2224796728697 8.60748208709992 0.989102170569822
Compound10 -402.765622735023 -14.1558904296253 3.35079866345041 0.378301483346149
Compound11 -331.713722925633 -12.8601792370901 8.69229268049821 0.0827852075453848
Compound12 -441.693981643766 -13.1105685050134 14.5292408578098 0.0982528729364276
Compound13 -377.422006661072 -13.9155496372841 14.3089727300685 0.900225721532479
Compound14 -309.260783251375 -13.8578492500819 1.99104074039496 0.589996166294441
Compound15 -389.741587871686 -13.5817944451701 1.16959171020426 0.601281618466601
Compound16 -390.120795276016 -12.3329215049744 8.26495857909322 0.733964074635878
Compound17 -490.815213741735 -14.1865584366024 5.31305771903135 0.822705466067418
Compound18 -315.400348510593 -13.2694133701734 1.16823439719155 0.0815015551634133
Compound19 -389.826795272529 -13.4727257096674 8.12829491682351 0.338292440865189
Compound20 -426.871061976999 -12.0060029472224 12.7610840380657 0.812206015689299
Compound21 -319.150484679267 -14.0234278575517 1.62444204906933 0.495938951149583
Compound22 -474.589527118951 -14.5208366734441 13.9217275218107 0.610625314060599
Compound23 -385.164612578228 -12.2627835853491 13.5853923694231 0.0922864435706288
Compound24 -413.318069512025 -14.5639470100868 12.0377991325222 0.585259419400245
Compound25 -445.5543899443 -12.028292727191 9.35397330787964 0.416743596317247
Compound26 -459.203327540308 -13.686936071841 5.69804884842597 0.0426656093914062
Compound27 -494.980790186673 -12.2673785083462 12.9038600600325 0.132470982847735
Compound28 -330.346868280321 -12.32601390942 3.44360646558926 0.517165346769616
Compound29 -460.091056674719 -13.4914911298547 10.411572722951 0.645144937559962
Compound30 -430.770327057689 -14.2062690490857 5.74397477670573 0.615990782156587
Compound31 -379.887070599943 -13.5778787685558 7.66870522289537 0.727181021589786
Compound32 -470.639797579497 -12.2638184346724 0.293301347410306 0.478666329756379
Compound33 -443.176642945036 -14.3848233008757 5.69596878136508 0.0822782628238201
Compound34 -413.026920193806 -12.0130565918516 7.64889718964696 0.0644330480135977
Compound35 -311.705510178581 -13.1700771306641 9.68061306746677 0.651254466036335
Compound36 -337.17379081063 -13.2713572634384 11.501350243343 0.871957925148308
Compound37 -481.665077386424 -14.0144419090357 7.26177949458361 0.157570175593719
Compound38 -477.067767409608 -12.1398139041848 5.96789459581487 0.572066411841661
Compound39 -482.65811111778 -14.3449537928682 0.718754451954737 0.506083470303565
Compound40 -334.118294669315 -13.4676847925875 4.10939345369115 0.137175363488495
Compound41 -336.014132807031 -12.4891135857906 5.22433597943746 0.430908979149535
Compound42 -381.083661876619 -14.9558308648411 14.9271843256429 0.855681384447962
Compound43 -388.336168183014 -13.5447782550473 4.4680804037489 0.786508336197585
Compound44 -478.020676923916 -14.4785785570275 1.47926487377845 0.302747648442164
Compound45 -459.107035119087 -12.9076991959009 3.11901451670565 0.677675942191854
Compound46 -499.117166781798 -12.922593388008 4.04250186402351 0.104003962827846
Compound47 -384.517010767013 -13.07493973081 3.21232623187825 0.801804753020406
Compound48 -375.156644219533 -12.8935012619477 2.40496369195171 0.0595237426459789
Compound49 -452.572186337784 -13.2965459567495 6.50296331383288 0.684566900832579
Compound50 -484.185903053731 -13.3738733434584 11.405619259458 0.124121334170923
Compound51 -337.158806016669 -14.4726330921985 7.09483022801578 0.863660227041692
Compound52 -493.001874815673 -14.3596614841372 5.86062679882161 0.195087344851345
Compound53 -473.093945067376 -14.7740931815933 10.2070171083324 0.85461600124836
Compound54 -469.46450243704 -14.87767692958 6.4454589842353 0.935732339974493
Compound55 -390.471257641912 -13.2745268787257 1.15573840448633 0.812528763199225
Compound56 -499.001493817195 -14.6786283419933 3.9956611872185 0.432847696822137
Compound57 -374.49211589992 -12.7398940371349 1.93056656979024 0.144718590890989
Compound58 -335.285587003455 -14.7528824864421 13.5161364544183 0.559215562185273
Compound59 -497.934415889904 -14.9606603875291 13.9449445484206 0.333319849334657
Compound60 -344.4935915526 -13.9576311176643 10.6904963299166 0.0550891137681901
Compound61 -417.656379658729 -14.9835813492537 12.3231512994971 0.35884224018082
Compound62 -308.821042859927 -14.6485432013869 3.93934925668873 0.246015496086329
Compound63 -461.177014978603 -12.7759986792225 14.1094596055336 0.40300307655707
Compound64 -360.028468212113 -13.1966997042764 3.02962659392506 0.991184873273596
Compound65 -319.699518475682 -13.6364317091648 10.1437354262453 0.145906704943627
Compound66 -305.313314590603 -12.8185832973104 1.0022926912643 0.195600486593321
Compound67 -494.376516481861 -14.6728943106718 6.82394397561438 0.313457313459367
Compound68 -436.147264996544 -14.940859077964 8.7139661621768 0.514189973240718
Compound69 -315.544745465741 -12.9663189570419 11.341998798307 0.4667995988857
Compound70 -325.603139027953 -14.9127730310429 1.63747717277147 0.679416078841314
Compound71 -443.103713588789 -12.7560280698817 12.6645855582319 0.140486974036321
Compound72 -356.121600372717 -12.733090366004 7.89254109375179 0.0987599156796932
Compound73 -336.500378651544 -13.4017436848953 7.97081226599403 0.52650154591538
Compound74 -302.672812296078 -12.1751302352641 3.61368833924644 0.245615006424487
Compound75 -440.760905528441 -13.3309126663953 14.1639323090203 0.407165180426091
Compound76 -424.981893086806 -14.476310092723 4.09926482476294 0.985766230383888
Compound77 -342.210487881675 -13.1723173961509 10.5862305499613 0.287278789095581
Compound78 -473.511467920616 -14.943313957192 2.9119016113691 0.0960262611042708
Compound79 -378.072844818234 -14.4628029002342 2.10127616068348 0.13270797021687
Compound80 -369.592910213396 -13.8633463096339 4.54026861232705 0.000393681228160858
Compound81 -437.621612567455 -13.1286348800641 9.18799949577078 0.0263334405608475
Compound82 -317.170332279056 -13.9738064515404 7.92497653746977 0.900674178730696
Compound83 -486.28738145344 -12.9779417740647 10.3295456862543 0.566181860864162
Compound84 -339.306319924071 -13.2259387469385 2.41517181275412 0.281993654090911
Compound85 -321.980686252937 -13.7183350722771 12.191441928735 0.601903028786182
Compound86 -458.935074368492 -14.6565430993214 0.12663435540162 0.28231996204704
Compound87 -379.357686964795 -12.5998723504599 3.03194565000013 0.012135247932747
Compound88 -378.906651167199 -14.5518226269633 14.3685488181654 0.61045577400364
Compound89 -413.745366921648 -14.1838460108265 7.66361455433071 0.752036723308265
Compound90 -492.486105905846 -13.2024538738187 13.2611722033471 0.583507998147979
Compound91 -330.120365368202 -14.4518277354073 6.36687838356011 0.466660705162212
Compound92 -408.265694463626 -14.7719461598899 3.38865196681581 0.550323374569416
Compound93 -478.052362333983 -13.958609021036 3.33241560612805 0.0604579460341483
Compound94 -377.022925252095 -14.1773338783532 11.3906355074141 0.0182315399870276
Compound95 -389.599952520803 -13.8329996005632 9.78064459981397 0.38616860890761
Compound96 -446.507925121114 -13.5361585943028 3.48538505262695 0.209119304316118
Compound97 -405.606743646786 -12.8458585627377 13.7981337541714 0.740500231971964
Compound98 -409.474899247289 -12.0359346878249 4.49521454516798 0.892519070534036
Compound99 -360.517475102097 -14.7328884175513 13.1450473400764 0.378782626474276
Compound100 -391.627257503569 -14.387642984977 4.22916144132614 0.732222342630848
Compound101 -371.178894722834 -14.8224321270827 5.13721575960517 0.797258672071621
Compound102 -370.100837294012 -13.5685457694344 1.53179244487546 0.828415563795716
Compound103 -314.816985139623 -13.939843183849 2.02242900151759 0.444570615654811
Compound104 -322.882036538795 -12.1795272964519 4.03342535952106 0.486407795455307
Compound105 -412.70041000098 -14.860573310405 8.82704968680628 0.66417455743067
Compound106 -312.544262781739 -13.78021966503 14.7021932469215 0.851452700328082
Compound107 -429.724215529859 -13.508522355929 8.03794150706381 0.479568498907611
Compound108 -402.997229015455 -14.1451986758038 14.8493771546055 0.397602451965213
Compound109 -369.295257050544 -12.5054025237914 11.6595733270515 0.598416100488976
Compound110 -436.92119079642 -13.0032333335839 8.58033344498836 0.953446700237691
Compound111 -301.017587864771 -12.4702125799377 6.81783299893141 0.553247602889314
Compound112 -360.999469412491 -12.3831869764253 5.17464928678237 0.664643054595217
Compound113 -452.170838788152 -13.420681244228 11.7350173566956 0.174189646262676
Compound114 -438.96434889175 -14.6868293203879 2.4041715322528 0.140642342623323
Compound115 -496.754488255829 -13.1219311763998 0.401986642973498 0.762928390176967
Compound116 -481.866014795378 -12.9802901269868 6.85384658281691 0.396262533729896
Compound117 -408.22965647094 -13.0354968623724 12.376034402987 0.105300029274076
Compound118 -431.163731543347 -14.7004791868385 2.74918272625655 0.666315981419757
Compound119 -398.779011471197 -14.9714228468947 7.42674997192807 0.0428947636391968
Compound120 -445.95362059772 -14.7021851597819 4.29075316758826 0.33011850877665
Compound121 -322.478191833943 -14.5874703743029 6.87962621916085 0.692208076128736
Compound122 -383.345687715337 -14.27029335103 12.7739020425361 0.983511545229703
Compound123 -421.073056571186 -13.7528974672314 0.267313766526058 0.847881247522309
Compound124 -316.065790550783 -14.6684747859836 3.19477583980188 0.403945411555469
Compound125 -316.123708430678 -12.5330652140547 0.954578620148823 0.186849103309214
Compound126 -369.713429128751 -14.4804917816073 2.34191291383468 0.850881663151085
Compound127 -403.558679763228 -14.0932743446901 10.3981109324377 0.179298862116411
Compound128 -407.064871583134 -13.0004499277566 3.1789462803863 0.805507133016363
Compound129 -376.913060015067 -13.777565812692 9.40947187598795 0.179299682378769
Compound130 -315.210611978546 -14.5563993689138 6.08189123449847 0.4485107883811
Compound131 -305.733583634719 -14.5341959812213 1.39992770506069 0.49100545165129
Compound132 -386.620698962361 -13.3538329121657 2.06899381242692 0.395604830468073
Compound133 -310.392601322383 -12.4817445923109 7.75175416725688 0.860217443900183
Compound134 -335.630792891607 -13.6517438516021 8.14141940558329 0.533746559871361
Compound135 -327.368090907112 -12.8180493051186 5.28589328052476 0.0132519917096943
Compound136 -338.151472900063 -14.5770360671449 7.00926736230031 0.27911972347647
Compound137 -323.453695233911 -14.8906143803615 10.6135838537011 0.910390715813264
Compound138 -415.239225653931 -14.6894571385346 13.8121483870782 0.975223772227764
Compound139 -302.152482792735 -12.1639572037384 6.26421872642823 0.742862665792927
Compound140 -404.876228421926 -12.2004020749591 14.2128050071187 0.582145894877613
Compound141 -326.899375626817 -14.4815663786139 9.02245652046986 0.814411824569106
Compound142 -444.43596880883 -12.6134910131805 7.72310884902254 0.800064437789842
Compound143 -379.12844135426 -12.09772876231 12.5465383718256 0.716402138583362
Compound144 -465.182371856645 -14.3563814735971 10.0554927927442 0.238664814038202
Compound145 -405.505733378232 -12.3050067157019 14.6048024576157 0.988113754428923
Compound146 -319.6019240655 -12.0620728796348 0.342252507107332 0.620479112491012
Compound147 -342.496566008776 -14.597974054981 3.88450349564664 0.506942217238247
Compound148 -440.594165073708 -13.779493433889 13.532959066797 0.241909085540101
Compound149 -437.463004561141 -14.3678543013521 14.1225651581772 0.956821274477988
Compound150 -336.154704261571 -14.6919391409028 7.43292694212869 0.109027930768207
Compound151 -307.130293222144 -12.8638359701727 7.24883079179563 0.0994809188414365
Compound152 -428.365892916918 -12.8910833552945 13.6637177551165 0.92738528479822
Compound153 -315.408965572715 -12.8121504415758 7.78684070217423 0.407621934544295
Compound154 -300.365748396143 -12.580856384011 1.68082585791126 0.579100036295131
Compound155 -301.058824686334 -13.5444177752361 11.8470273411367 0.320729578612372
Compound156 -439.098765468225 -14.2950134854764 4.04226513812318 0.692562217824161
Compound157 -488.488841988146 -12.9236962033901 12.0126338023692 0.395780179416761
Compound158 -349.806864187121 -14.6528769826982 1.06027681846172 0.837822433561087
Compound159 -474.181726574898 -14.3502447498031 7.57650940795429 0.342776651261374
Compound160 -365.548780886456 -13.1398503847886 6.60568444174714 0.333740462781861
Compound161 -400.555088557303 -14.5873171964195 5.93671613023616 0.483771489001811
Compound162 -335.400509880856 -12.0716483665165 5.54216829361394 0.403497588355094
Compound163 -490.379382157698 -13.7831185273826 6.85477135120891 0.489713868824765
Compound164 -479.751389101148 -13.2443664218299 0.831211139447987 0.803693785797805
Compound165 -450.828737625852 -12.1130374758504 13.6550597520545 0.187739144545048
Compound166 -301.271203672513 -14.638519332977 3.90053924638778 0.0864855560939759
Compound167 -451.437709946185 -13.8201911801007 11.7407584364992 0.55108473286964
Compound168 -417.451878730208 -13.1285495893098 0.692336289212108 0.0425027210731059
Compound169 -335.848250193521 -13.0705599489156 13.0604907602537 0.39829635550268
Compound170 -397.384561179206 -14.3419384052977 1.01389387040399 0.728257614653558
Compound171 -432.27387634106 -13.032925105188 7.4456252285745 0.998777844710276
Compound172 -479.435076005757 -14.9473596671596 2.5088909023907 0.753562566824257
Compound173 -395.087977545336 -14.7059105043299 9.01796072605066 0.637597600463778
Compound174 -480.524838715792 -14.9288801355287 9.49929775320925 0.609331201761961
Compound175 -423.045352380723 -13.7178087893408 10.5313182121608 0.32438190607354
Compound176 -495.177235780284 -13.6462499499321 6.01385262329131 0.750408082734793
Compound177 -465.617804322392 -14.5607382534072 9.04821459087543 0.926319926278666
Compound178 -388.324334844947 -12.244857867714 3.21976239793003 0.230656039901078
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Compound180 -443.515863269567 -13.6216524629854 7.65518044936471 0.571615846594796
Compound181 -324.339800234884 -13.9448633885477 5.06790849845856 0.225588039727882
Compound182 -327.971983514726 -13.6729376425501 14.140493189916 0.947852317942306
Compound183 -450.917338533327 -14.6178121806588 11.0912931896746 0.876171052688733
Compound184 -355.364564526826 -12.0357469136361 10.6677689147182 0.863988246070221
Compound185 -355.630499916151 -12.275457753567 3.20375708746724 0.654434542870149
Compound186 -353.574620652944 -14.447516673943 10.5187752633356 0.460061984602362
Compound187 -478.636269737035 -13.3779478857759 9.13932466646656 0.36981717357412
Compound188 -472.617480391636 -14.8486829332542 7.76493290090002 0.797906045801938
Compound189 -431.619727564976 -14.1792788535822 5.28198647196405 0.980467162327841
Compound190 -451.37111088261 -14.5264494270086 0.245351385092363 0.628461767686531
Compound191 -497.150408662856 -12.3335401026998 2.00243333936669 0.259862041799352
Compound192 -305.938838515431 -12.2797245481052 8.42468578484841 0.25522247212939
Compound193 -475.779207516462 -12.1849742042832 5.07489868090488 0.352843064349145
Compound194 -312.315311422572 -12.32934158016 1.91875469405204 0.689660921925679
Compound195 -496.210926258937 -14.0000525491778 10.0765228481032 0.204930921318009
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Compound198 -362.432176060975 -14.5518558151089 8.58014110475779 0.0814291012939066
Compound199 -464.124858053401 -13.8832730180584 9.95515290065669 0.134950269944966
Compound200 -445.214847102761 -12.9519829717465 14.3696195643861 0.408090525073931
Compound201 -448.909198306501 -14.1541480170563 2.85400860244408 0.0638516789767891
Compound202 -476.777489576489 -13.8932311828248 14.5040650153533 0.908142819069326
Compound203 -392.458016006276 -12.0715561474208 13.3401592390146 0.967786295572296
Compound204 -314.849696168676 -13.8260355934035 2.13289298233576 0.241176116513088
Compound205 -414.746376918629 -12.7651539025828 10.6877252343111 0.460959878982976
Compound206 -457.622319553047 -13.8589132300112 2.19770914991386 0.00769124622456729
Compound207 -442.933067958802 -14.6280909839552 3.64929096540436 0.940842065727338
Compound208 -473.64617716521 -14.1720631476492 10.9444936551154 0.537637706845999
Compound209 -376.078268652782 -13.0027303509414 14.1763491486199 0.096234044758603
Compound210 -495.889648422599 -12.3780488432385 3.9398964936845 0.953335229074582
Compound211 -422.5997465197 -13.4308606248815 13.5383454000112 0.817602814175189
Compound212 -413.305630814284 -12.5238415128551 3.68452164810151 0.111492569558322
Compound213 -337.736271088943 -13.4725104260724 0.885698025813326 0.561861041933298
Compound214 -375.057953689247 -14.0476858557668 1.62768031004816 0.0646577011793852
Compound215 -409.176604123786 -12.2071716820356 12.8539887978695 0.745332488324493
Compound216 -492.975709075108 -12.3375564906746 13.5022468096577 0.348585154628381
Compound217 -461.277101514861 -12.7399751557969 1.42470350023359 0.310637237969786
Compound218 -410.284039005637 -14.5217218457256 12.141556214774 0.967663060873747
Compound219 -410.210296651348 -14.0915489732288 1.41963007394224 0.565858972258866
Compound220 -454.145470028743 -14.3668086812831 4.3574923009146 0.631692124065012
Compound221 -463.367730239406 -14.570867956616 1.52576619177125 0.422936731949449
Compound222 -480.237409751862 -13.8413653057069 4.66316564823501 0.463259535608813
Compound223 -395.023440150544 -13.2175564805511 5.80172511516139 0.821820299141109
Compound224 -317.684543179348 -12.5336443944834 9.03077839524485 0.554932096973062
Compound225 -490.332037117332 -12.3821322054137 6.67310076649301 0.879170428263023
Compound226 -306.193839386106 -12.329042803729 11.4888963557314 0.0469493998680264
Compound227 -304.960210761055 -12.1381606673822 11.4169698092155 0.444248345214874
Compound228 -479.873284650967 -12.3052007665392 13.0333739868365 0.497525000479072
Compound229 -487.026496883482 -12.0691899976227 12.3914795333985 0.0144942014012486
Compound230 -365.324022294953 -14.2118466985412 13.6526281549595 0.929578424897045
Compound231 -380.299614276737 -14.5965686640702 11.8416253023315 0.782780864275992
Compound232 -328.698282223195 -14.7501168746967 3.95035292836837 0.215408796211705
Compound233 -397.443879256025 -13.9127426112536 11.7423624324147 0.685595827409998
Compound234 -417.72415083833 -14.6617161305621 10.9244592231698 0.861358878435567
Compound235 -431.045412877575 -12.9059598727617 4.33796911966056 0.949107404565439
Compound236 -373.605052242056 -14.9079826029483 9.25535211106762 0.578686025226489
Compound237 -410.73665660806 -14.7113071479835 8.71502334019169 0.985193790169433
Compound238 -330.03889285028 -12.8825788171962 12.5588874262758 0.911875111050904
Compound239 -451.66039718315 -14.6160908674356 1.07219866476953 0.636264555621892
Compound240 -470.806221617386 -14.0541126772296 12.8493537660688 0.465688801836222
Compound241 -356.854651728645 -12.6945847088937 14.3242453294806 0.621702408883721
Compound242 -307.21567668952 -13.4399092532694 12.1923974971287 0.824740121141076
Compound243 -396.099796239287 -14.5467307856306 1.05580568080768 0.275009922217578
Compound244 -450.449391454458 -12.2892986275256 9.39970565959811 0.352182463044301
Compound245 -367.184156645089 -14.7462229749653 2.2414958383888 0.53416145266965
Compound246 -458.495735004544 -13.6402192243841 2.78348074061796 0.932377228979021
Compound247 -314.080600393936 -13.6416819230653 4.83270511147566 0.771749649895355
Compound248 -436.128274165094 -13.0961176331621 13.8017221412156 0.739153551170602
Compound249 -388.262644317001 -12.5824455076363 5.93157139839604 0.544118361314759
Compound250 -353.877285402268 -14.567224409664 14.7071943129413 0.408434293465689
Compound251 -356.01106910035 -14.4718372256029 5.87214462691918 0.398176554357633
Compound252 -450.195632269606 -13.3263203480747 12.6785177900456 0.0150983878411353
Compound253 -364.382801344618 -13.9642993218731 6.32829001173377 0.790503207826987
Compound254 -388.621069444343 -12.2016086010262 2.58003926253878 0.573282533558086
Compound255 -319.200167106465 -14.6915344123263 13.7331535946578 0.271466721780598
Compound256 -484.59485899657 -14.1325763140339 7.90857833926566 0.149502853164449
Compound257 -359.254646068439 -14.7190074166283 5.58374462183565 0.286718338029459
Compound258 -490.55420611985 -14.2884964132681 3.20669831824489 0.0542675207834691
Compound259 -353.746492741629 -12.9678569133393 6.20534158777446 0.362302009249106
Compound260 -355.273794196546 -13.9373081617523 6.65977773489431 0.14679422811605
Compound261 -471.345780370757 -12.9071350484155 10.6424930517096 0.231210259022191
Compound262 -392.211329564452 -13.3828712040558 13.4266785148066 0.00569936144165695
Compound263 -477.855635434389 -14.0020081868861 3.68740771547891 0.196072689490393
Compound264 -307.668577460572 -13.8046183080878 13.6572926037479 0.63058928726241
Compound265 -384.182679560035 -12.8184544248506 5.26276590884663 0.0403736133594066
Compound266 -410.505327302963 -14.8893029121682 10.9873875696212 0.45431774831377
Compound267 -363.791437912732 -13.769862360321 14.5557666860987 0.807040042476729
Compound268 -332.506934693083 -13.3738061932381 5.72434349334799 0.865581008605659
Compound269 -371.142042148858 -13.8101373827085 14.7622113442048 0.962789795361459
Compound270 -323.769175866619 -12.5401533585973 2.00595007510856 0.336947681149468
Compound271 -488.24301790446 -14.6103568738326 4.48453649645671 0.604517285712063
Compound272 -351.95512836799 -14.3910495664459 10.106136307586 0.977583529660478
Compound273 -457.781311124563 -14.523599819513 2.44679928291589 0.730854597175494
Compound274 -447.845186060295 -12.4566851172131 14.6296671114396 0.346838267287239
Compound275 -399.92646612227 -12.2577984819654 10.8512139134109 0.875650629634038
Compound276 -340.327140828595 -12.9713526887354 8.02043486153707 0.13617060217075
Compound277 -386.560402018949 -12.694439384155 8.33740006783046 0.587480516871437
Compound278 -458.687872206792 -14.7865095888264 3.68181406287476 0.302796724252403
Compound279 -391.551545355469 -12.6837105508894 4.3865842174273 0.927673893049359
Compound280 -320.656752912328 -14.2672554070596 5.87156507070176 0.616156939184293
Compound281 -379.201477952302 -13.2966576456092 0.679910404141992 0.470507493009791
Compound282 -478.153059864417 -12.8550982188899 14.3346441909671 0.696647942531854
Compound283 -395.947155030444 -13.1894925443921 10.4848624533042 0.460853443946689
Compound284 -434.010239364579 -14.3183931265958 13.8963709655218 0.615803937893361
Compound285 -496.485908003524 -12.8832201291807 0.673310640268028 0.335733221145347
Compound286 -462.726230081171 -12.5876482310705 1.58894486376084 0.972423870582134
Compound287 -484.98722226359 -14.811693304684 14.934240229195 0.659630155889317
Compound288 -432.372118113562 -13.6378716761246 4.92475140024908 0.112047006608918
Compound289 -351.188338920474 -13.4720587581396 14.3366288859397 0.427380996290594
Compound290 -465.229579992592 -14.5766612703446 5.11900376644917 0.553689592517912
Compound291 -354.738984443247 -14.3346943308134 7.3000999528449 0.709917405620217
Compound292 -487.899493612349 -12.9837266409304 9.29598682676442 0.115515259793028
Compound293 -440.150887193158 -14.7304201943334 11.5991936798673 0.638692752225325
Compound294 -390.420488175005 -14.2800883823074 0.0286740716546774 0.46651672758162
Compound295 -457.659033639356 -14.7756024501286 13.6679478641599 0.0413754084147513
Compound296 -482.129720970988 -14.9802905085962 5.86253499845043 0.374456784687936
Compound297 -368.288705032319 -14.5816571507603 10.5744277581107 0.224538527196273
Compound298 -383.917327364907 -13.0179079547524 11.5551221114583 0.290790715953335
Compound299 -440.868784533814 -13.2081215966027 9.31856461800635 0.613972696708515
Compound300 -355.553045868874 -13.8401750880294 2.10411221953109 0.81914291344583
Compound301 -412.756722280756 -13.1728491811082 12.2321014897898 0.818417723756284
Compound302 -396.683042496443 -13.212577436585 7.06963523989543 0.550673299236223
Compound303 -360.729564307258 -13.6497946442105 9.47986177518032 0.15723076206632
Compound304 -425.467049935833 -12.7158494484611 4.61411483120173 0.749350901227444
Compound305 -346.71383490786 -13.1166486754082 6.57099152449518 0.640594786265865
Compound306 -333.315904252231 -14.7516897779424 3.56201782124117 0.353533749701455
Compound307 -382.438043830916 -13.6393348581623 1.2510266317986 0.361666627926752
Compound308 -447.644871333614 -13.8914914908819 12.5925020885188 0.322312332456931
Compound309 -420.008558267727 -14.5473244227469 8.82257029996254 0.107178847305477
Compound310 -438.823782792315 -14.1961636869237 11.3471370411571 0.0595808990765363
Compound311 -493.367540603504 -12.8330970243551 0.65343651920557 0.288490385748446
Compound312 -349.210319807753 -13.4228180148639 6.45000825170428 0.794672861462459
Compound313 -320.577493077144 -14.1641970276833 2.20038440194912 0.308478720486164
Compound314 -384.22293686308 -13.4231783787254 2.59285250329413 0.288906071567908
Compound315 -430.081026209518 -14.980290530948 5.69591951672919 0.485325851477683
Compound316 -472.154359938577 -14.5772910600062 13.3997917023953 0.693048068322241
Compound317 -494.114733953029 -12.2752521748189 4.40835261717439 0.493712953524664
Compound318 -472.752764029428 -12.6004226587247 4.43724221549928 0.288885240443051
Compound319 -405.288230301812 -14.2795742754824 7.11742630577646 0.784296794096008
Compound320 -333.442129101604 -12.7449979742523 14.6629564859904 0.615651567000896
Compound321 -412.043066835031 -13.2834669391159 10.06424763822 0.793387302663177
Compound322 -361.577228643 -14.1529552987777 2.11175068281591 0.398183461278677
Compound323 -340.685509238392 -14.6866793814115 14.1186745511368 0.727704372722656
Compound324 -312.355730636045 -13.0129859768786 2.11999993189238 0.0938805739860982
Compound325 -415.684661082923 -13.2200141788926 13.6422889411915 0.288003060268238
Compound326 -328.878979803994 -12.6465290563647 12.6991935248952 0.372522280318663
Compound327 -409.204225987196 -12.2532309412491 13.8100041775033 0.388952280161902
Compound328 -355.28044141829 -12.0624711660203 4.42000996903516 0.799257754581049
Compound329 -431.119124637917 -12.248155585723 14.0546957461629 0.781215066788718
Compound330 -482.202115608379 -14.0405427231453 2.63499291264452 0.140108631458133
Compound331 -396.927613345906 -13.5605055566411 12.2909409133717 0.515878318343312
Compound332 -321.919929562137 -14.6245480170473 14.8179202596657 0.521441214950755
Compound333 -334.199196798727 -14.6077119922265 2.14971382752992 0.943866204470396
Compound334 -386.784925125539 -14.3000480867922 0.0883058470208198 0.386961996089667
Compound335 -492.925240192562 -13.9504674982745 7.203968296526 0.912213338539004
Compound336 -406.788711203262 -13.2128864682745 14.2576792615 0.885253849672154
Compound337 -382.0536211133 -14.9859039264265 12.4202715768479 0.54880541190505
Compound338 -376.30296270363 -13.3261681571603 4.67807772103697 0.245700021507218
Compound339 -472.391235502437 -14.9497155637946 14.3175421154592 0.0625056219287217
Compound340 -474.23913939856 -13.0561527607497 7.61043849983253 0.0966876728925854
Compound341 -345.867349486798 -14.2444608213846 10.404214092996 0.720980591606349
Compound342 -420.498595107347 -14.3622534808237 1.62405676790513 0.481883652275428
Compound343 -465.925682289526 -12.373361677397 11.3872865319718 0.596777650527656
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Compound345 -448.976604780182 -12.4752539286856 6.88828912912868 0.0316561372019351
Compound346 -395.314727118239 -14.2566718084272 8.06721012457274 0.655643856152892
Compound347 -460.111333057284 -12.1516835752409 13.4548255428672 0.643545728642493
Compound348 -311.258002137765 -12.3768494438846 3.48618818214163 0.0410708065610379
Compound349 -355.869747698307 -13.1613331935368 13.3063173154369 0.886235329788178
Compound350 -396.05800290592 -12.0215493673459 3.73593613738194 0.439955929294229
Compound351 -468.350086873397 -14.9525706998538 7.18221040209755 0.963231084868312
Compound352 -452.921825787053 -13.1853302596137 2.80884657986462 0.488928616512567
Compound353 -388.732197321951 -12.3074208882172 1.44780479371548 0.171086242189631
Compound354 -435.167758073658 -14.3073950540274 4.97693123063073 0.492726570228115
Compound355 -480.260861618444 -14.2816806924529 7.0107470441144 0.998704934492707
Compound356 -340.862424019724 -12.0881456925999 14.4663835305255 0.949989309767261
Compound357 -406.615237519145 -14.4303853735328 3.47019658307545 0.0591378998942673
Compound358 -339.309081388637 -13.3742555533536 4.3926668248605 0.312621298246086
Compound359 -384.032105188817 -13.3970818645321 14.5912759797648 0.401445010444149
Compound360 -337.35952838324 -12.7249567802064 13.4208169695921 0.632940006675199
Compound361 -393.696185387671 -14.244840846397 6.99915152974427 0.360623680986464
Compound362 -350.676154717803 -13.671148711117 10.4730098135769 0.569215473718941
Compound363 -419.59497211501 -12.1536678036209 2.18235663603991 0.680373344803229
Compound364 -351.802895125002 -12.2317181811668 2.27910457528196 0.523017355240881
Compound365 -410.355284018442 -14.1222639810294 13.5373527556658 0.165215799584985
Compound366 -367.182301590219 -13.9313591646496 0.214117302093655 0.959140355233103
Compound367 -360.256981709972 -13.7698323098011 10.4037680255715 0.995031098136678
Compound368 -413.87045304291 -13.8526046827901 2.69340876373462 0.15147601836361
Compound369 -462.71045175381 -14.811905864859 6.58558596856892 0.499362252419814
Compound370 -445.252515608445 -13.7054260969162 14.3740450940095 0.718710472807288
Compound371 -352.467622095719 -14.0880842255428 3.8114576227963 0.411464535398409
Compound372 -333.032821631059 -13.8969012927264 11.2004513991997 0.612454185727984
Compound373 -487.594491848722 -12.3992140518967 12.0977779710665 0.965416485210881
Compound374 -350.917475717142 -14.3795431475155 3.21594567387365 0.693416672060266
Compound375 -436.929863225669 -13.176447160542 5.49262963584624 0.989061701111495
Compound376 -361.924478132278 -13.2792389136739 3.25856137205847 0.532843514345586
Compound377 -309.564625518396 -14.372076577507 12.2705649363343 0.737561115762219
Compound378 -345.404655952007 -14.0537960913498 0.156871292274445 0.75507702329196
Compound379 -440.580523340032 -14.1227929580491 6.67495287023485 0.851153312716633
Compound380 -498.843447118998 -13.6898725382052 2.3473621706944 0.437641005264595
Compound381 -464.62080674246 -13.5902383332141 10.6066071102396 0.673450208734721
Compound382 -413.717877259478 -13.4789387520868 13.6479441379197 0.451879665954039
Compound383 -384.6094107721 -12.5879710935988 4.42328632227145 0.398317424347624
Compound384 -422.439416870475 -13.6678781847004 12.1260340337176 0.285252726869658
Compound385 -359.35958432965 -14.2122371317819 12.5745046581142 0.812088808510453
Compound386 -315.956956800073 -13.240079523297 13.8317273289431 0.12058832985349
Compound387 -407.142063975334 -12.8098058311734 1.29279926768504 0.0041763074696064
Compound388 -496.914411988109 -12.3124265698716 10.938767187763 0.133163430262357
Compound389 -487.593137007207 -14.7184969601221 7.22177630639635 0.199984315549955
Compound390 -438.048832444474 -14.2037020234857 9.76902044727467 0.0628623377997428
Compound391 -489.677662309259 -12.1121503282338 13.3812116004992 0.85592871485278
Compound392 -475.627647759393 -14.8189939046279 7.00908885220997 0.530120632378384
Compound393 -464.593249186873 -14.3590168382507 10.2603994240053 0.724469461943954
Compound394 -459.688577521592 -13.8671832131222 2.34050845261663 0.0535879659000784
Compound395 -323.164592077956 -13.4276509874035 3.87202152516693 0.128893652465194
Compound396 -458.843966806307 -14.5939778198954 8.96735295653343 0.238988168304786
Compound397 -300.596052641049 -12.4059917984996 8.78727033734322 0.462293255608529
Compound398 -362.817130004987 -13.055951903807 14.7078841959592 0.43412391259335
Compound399 -370.648280577734 -13.2638626357075 9.70650196541101 0.585440289461985
Compound400 -425.702798040584 -13.6765520065092 7.11592136649415 0.426962009863928
Compound401 -449.104776373133 -13.326343305409 0.543633919442073 0.860884957946837
Compound402 -343.946900451556 -12.3734514587559 6.76058674114756 0.475763420807198
Compound403 -360.59754062444 -13.7319026298355 13.877318194136 0.513939733151346
Compound404 -341.323073627427 -13.4207896152511 4.94712127139792 0.13730138912797
Compound405 -365.805699955672 -13.5165742544923 0.0396580982487649 0.638357411371544
Compound406 -373.007770581171 -12.3360371387098 8.64719514269382 0.435575454030186
Compound407 -441.540565062314 -12.0781833152287 6.03180167963728 0.958362047793344
Compound408 -374.617501115426 -14.4355400609784 5.20868450403214 0.0546267936006188
Compound409 -366.244350606576 -14.0464683312457 3.60396296367981 0.743942958768457
Compound410 -382.596693374217 -14.6872723773122 3.58235627529211 0.164463151944801
Compound411 -385.427788086236 -14.6317890956998 9.64214044972323 0.0340927082579583
Compound412 -473.956492962316 -12.5633165328763 1.20415917830542 0.602999067632481
Compound413 -377.667372813448 -12.86779184849 6.30308378138579 0.399994971696287
Compound414 -445.023283688352 -14.1676269792952 14.5016189210583 0.310475118923932
Compound415 -424.701063102111 -12.1383214727975 13.8832657132298 0.157795188948512
Compound416 -426.436464302242 -12.4690481037833 13.0821087851655 0.469823841005564
Compound417 -344.733408046886 -14.274731771322 5.64864880288951 0.194862175965682
Compound418 -339.732087124139 -14.681299533695 5.61535756685771 0.00349503150209785
Compound419 -444.873952586204 -14.9489746133331 6.43508022883907 0.379392912378535
Compound420 -311.941498843953 -12.703443640843 6.66728308657184 0.346778871491551
Compound421 -408.390037342906 -14.7566955357324 0.438457519048825 0.322657619835809
Compound422 -335.612282715738 -13.8967912788503 6.99720411328599 0.296758890384808
Compound423 -451.740038860589 -13.3617218560539 8.19209445035085 0.0585830209311098
Compound424 -417.610411951318 -13.6866107911337 10.1314614037983 0.985809596255422
Compound425 -347.470983117819 -14.9698162421118 0.788326996844262 0.65731343999505
Compound426 -455.415781959891 -12.2085794534069 10.4559776326641 0.760824204888195
Compound427 -320.173121383414 -13.8923871293664 8.10734273632988 0.735728200059384
Compound428 -306.186052970588 -12.0078670056537 7.51205583103001 0.195427985163406
Compound429 -463.840075721964 -13.3981678120326 1.74080242635682 0.980085192713886
Compound430 -381.544400844723 -12.9250128837302 3.14579890226014 0.43937876005657
Compound431 -401.08485808596 -13.8774037475232 9.04397989972495 0.08020124072209
Compound432 -316.745062591508 -12.5680281040259 3.50514187244698 0.627217946108431
Compound433 -367.525101080537 -13.6914317063056 8.18308722227812 0.25742146349512
Compound434 -495.226687844843 -13.4747979822569 4.48844437371008 0.358640518272296
Compound435 -311.159450048581 -13.2503702519462 0.875054423231632 0.267535806400701
Compound436 -416.462772618979 -12.8476637327112 10.693223514827 0.315433171810582
Compound437 -421.539241308346 -13.5534911917057 13.0411269748583 0.0737972762435675
Compound438 -421.74176746048 -13.9443929423578 5.99620820023119 0.87446978664957
Compound439 -421.216892590746 -12.9223354810383 3.453427052591 0.781930641038343
Compound440 -353.943257080391 -12.651760288747 6.39652530080639 0.999730074079707
Compound441 -355.320962518454 -12.2814122512937 13.3400630881079 0.460888758767396
Compound442 -437.907686410472 -14.7086818863172 10.7335898873862 0.330143476603553
Compound443 -372.303901612759 -12.5227759403642 1.3765702326782 0.63081147056073
Compound444 -341.72628284432 -13.9428357845172 7.80483055044897 0.750355124240741
Compound445 -437.212859094143 -13.9401230311487 6.73264896380715 0.592911341460422
Compound446 -345.770966075361 -13.7710137893446 4.84637616318651 0.48806554172188
Compound447 -454.373051831499 -14.1963357666973 11.0095702379476 0.81238115648739
Compound448 -377.369820605963 -12.1834375206381 8.72693742974661 0.156331630423665
Compound449 -366.358535271138 -13.1616264001932 0.856425632955506 0.135492982110009
Compound450 -357.724381424487 -13.9467336349189 9.55238904920407 0.768518214346841
Compound451 -421.999919833615 -13.9665682157502 6.90178385004401 0.711468158755451
Compound452 -452.422181889415 -14.0396200683899 5.29190694331191 0.740774015430361
Compound453 -347.30920935981 -13.3492808165029 2.5672378228046 0.751372234430164
Compound454 -426.822212617844 -14.353702789871 2.19031462795101 0.723459932720289
Compound455 -498.582460219041 -12.086426174501 13.2185442536138 0.614999511279166
Compound456 -428.632418857887 -13.1343785889912 12.7655304875225 0.0817422538530082
Compound457 -319.111033575609 -14.6822148843203 2.84905778244138 0.923521324060857
Compound458 -450.774346850812 -13.7588879505638 1.2176997482311 0.636855461401865
Compound459 -358.030725317076 -12.0049740420654 0.571496144402772 0.508316545048729
Compound460 -304.33148406446 -13.900469556218 12.0777850400191 0.382786486297846
Compound461 -336.905023176223 -14.7324882822577 2.96395911485888 0.0635102484375238
Compound462 -401.545292325318 -12.1027598830406 13.8351287262049 0.909569574054331
Compound463 -331.625064369291 -14.9634067327715 13.1757333409041 0.915205192519352
Compound464 -374.845907790586 -14.317910203943 11.4205567049794 0.845355919096619
Compound465 -332.337034773082 -13.5256699395832 9.12281617638655 0.506274629384279
Compound466 -414.626451209188 -14.4514523127582 9.98225523275323 0.942653825040907
Compound467 -459.080175636336 -14.9456584460568 12.3278262186795 0.641686639282852
Compound468 -358.045422891155 -13.4992729746737 13.7572721543256 0.991186771541834
Compound469 -461.170456791297 -12.9805033500306 2.52083904691972 0.119004989508539
Compound470 -431.99602146633 -14.8745453464799 4.70755956368521 0.330921793589368
Compound471 -336.360418098047 -14.6670919402968 2.678235063795 0.128061969066039
Compound472 -378.885462507606 -14.3465694661718 9.37820949358866 0.843955371528864
Compound473 -465.42218751274 -12.7953450407367 2.37146486761048 0.599380732513964
Compound474 -309.589761449024 -12.3656431082636 2.88837769534439 0.444522522622719
Compound475 -458.954262547195 -13.505365136778 0.441754177445546 0.388050657231361
Compound476 -464.883703412488 -14.7455698682461 10.5956849979702 0.13965116511099
Compound477 -391.993208182976 -13.9346101284027 6.47486803005449 0.351599377114326
Compound478 -332.546855369583 -14.7254969479982 0.201085716253147 0.670458575943485
Compound479 -383.009630860761 -12.4697084196378 12.8453988034744 0.899810087867081
Compound480 -364.327766932547 -13.1023741385434 6.91341220401227 0.595682009821758
Compound481 -357.058550789952 -14.0708160514478 1.68836659519002 0.791536099743098
Compound482 -310.640742862597 -14.7900378287304 9.69025356927887 0.448544727172703
Compound483 -387.775039020926 -14.239764573751 0.893425700487569 0.374012093758211
Compound484 -364.189510187134 -13.3875780059025 1.98479646001942 0.0972469579428434
Compound485 -398.640443291515 -12.7132250892464 11.8156471021939 0.970497632864863
Compound486 -421.228225855157 -14.1472927120049 2.90632709744386 0.665631608339027
Compound487 -453.739824984223 -12.8200701540336 6.40340360230766 0.743675803067163
Compound488 -457.846087915823 -14.3407950850669 11.0705595673062 0.29895915905945
Compound489 -452.806382393464 -14.0156095409766 6.01184947416186 0.891205614898354
Compound490 -460.866848938167 -12.1324166783597 12.3367404181045 0.167825006181374
Compound491 -363.676468422636 -13.1057624670211 11.4610922452994 0.125436619622633
Compound492 -349.088874831796 -14.3597847505007 14.6722504938953 0.699715801747516
Compound493 -336.022030981258 -13.1362806167454 4.86804670072161 0.288721877150238
Compound494 -450.747765693814 -14.920864940621 10.7833865785506 0.677803917322308
Compound495 -347.512977849692 -14.1881575940643 6.88141888822429 0.21129873720929
Compound496 -488.312229188159 -13.8816518511157 2.07924100686796 0.410128643503413
Compound497 -367.975932965055 -14.5909777516499 8.45031481934711 0.795997074106708
Compound498 -362.436888786033 -14.6576169608161 5.19000588683411 0.323466693051159
Compound499 -454.488113801926 -14.3138597973157 11.7993593111169 0.146314102225006
Compound500 -439.262515679002 -12.4927530738059 13.7223478895612 0.380497257458046