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0.17823016 -0.39830927 0.12924993 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.45053680988 free_energy=-104085.45053680988 pbc="F F F" N -4.51373352 -1.54721249 4.14859365 0.55224862 3.99438341 -0.94211776 -1.58033410 1.00508351 -0.49257368 -0.88753849 C -5.78298351 -1.62157312 3.30867870 0.23144608 -0.97677574 0.48773658 0.69293210 0.60113006 0.51305417 -0.22662843 C -5.36250898 -1.99983766 1.89975844 0.14832390 -0.71903209 0.27280065 0.37738811 -0.41252204 0.06363080 0.78297235 O -5.09891726 -3.17338382 1.66785716 -1.05581971 -0.22596898 -0.56675208 -0.08387718 0.83484365 -0.06840331 -0.66054334 H -4.16362946 -0.62174092 4.00123201 -0.02382730 0.29694345 0.15281122 0.59046729 0.42132759 -0.32589686 0.35787645 H -4.01758172 -3.04302494 4.28823633 -0.00477859 0.55016885 0.04647789 -0.00904139 1.60669828 0.51513848 0.54205667 H -4.73620735 -1.50108173 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.42985970291 free_energy=-104085.42985970291 pbc="F F F" N -5.58702869 -0.22020491 4.20827346 -2.96553198 0.25058562 0.20031348 -0.75868620 0.43709329 -0.58554722 -0.89385367 C -6.08146624 -1.39828748 3.45329983 -0.57530723 1.02742599 0.26097771 0.53760905 -0.36401618 0.57203148 -0.16191459 C -5.36018756 -1.79127678 2.13530103 -0.28487066 0.36184848 0.24664151 -0.20758925 0.87250213 -0.19899548 0.69572950 O -5.22270177 -2.95971169 1.83179811 1.01812034 1.01617249 -0.25007146 0.22382690 -0.25514170 -0.21511378 -0.66117037 H -4.61885286 -0.27754549 4.45831550 -0.11615412 0.01987526 0.33944085 0.37303397 -0.26547508 0.02049540 0.35152319 H -3.30797118 -3.46959126 3.65153617 0.36440062 0.38881901 -0.19637266 -0.01790305 3.85841427 -0.07922680 0.45735053 H -5.66847000 0.66597050 3.68664300 0.28701820 0.05899785 -0.19027645 -0.01548294 -0.81026128 0.41150870 0.35228516 H 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0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.50379101242 free_energy=-104085.50379101242 pbc="F F F" N -8.64404239 1.35711002 2.63235609 -0.31598539 0.22265965 -1.71615982 0.79728772 0.67062706 -0.83766869 -0.89393516 C -7.40526122 1.07549040 3.28110465 0.28797764 1.13245369 -0.51779691 2.71638681 -0.11936126 0.59586319 -0.17229060 C -6.31289503 0.24773762 2.48327006 -0.94898821 0.36921409 0.28804804 -1.23454381 -0.95746306 1.18350780 0.72120646 O -6.00308620 -0.86974201 2.93050880 -0.68708140 0.83167946 0.62034893 -0.06473211 1.86652268 -1.01171453 -0.66289169 H -9.34014557 0.68215291 2.73171903 0.12842376 -0.05845134 -0.08603457 -1.05074367 -1.11415648 0.18425499 0.37292187 H -4.20510562 -4.05791493 3.67080503 0.26874458 -0.52656301 -0.06105436 -0.04927437 -0.25017168 0.07263101 0.47173609 H -8.98158511 2.26034805 2.85586561 0.03878275 0.03408475 0.15656316 -0.43432539 0.60474991 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.26482609248 free_energy=-104085.26482609248 pbc="F F F" N -9.24287146 2.76683720 3.83800219 -0.06702721 -0.39527578 0.55346514 -0.83569421 -0.37398814 -0.96986884 -0.88565954 C -8.03168113 3.49897794 3.42556315 -0.42640223 1.11796038 0.01616301 -0.68187338 -0.98391621 1.64723650 -0.12941399 C -7.41080928 2.87377585 2.24305733 0.38608181 -0.15736098 0.29503217 1.46650279 -0.37222403 0.37792841 0.73574797 O -7.96475265 2.87545459 1.17595968 0.43601705 0.26859681 -0.35427139 -0.83344851 -0.10781186 -1.23428856 -0.64278733 H -9.53521965 2.19057767 3.03681821 -0.00135316 -0.06783566 0.01299767 -0.11255229 0.45344925 0.49648322 0.35658647 H -4.21639160 -7.86705300 3.87109941 0.40491257 0.06447857 -0.17704357 1.37613374 0.31996520 -1.25750191 0.45318768 H -9.15794955 2.12899444 4.60965809 0.17835776 0.12035687 0.32233145 0.57994719 0.03516012 0.18471549 0.35285660 H 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0.14298386 -0.26004059 0.74513483 0.30743590 0.13349033 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.56065356388 free_energy=-104085.56065356388 pbc="F F F" N -8.82438395 3.88729199 4.00386354 -0.64945466 1.43213114 0.36470130 0.24951595 1.70078025 2.11421896 -0.87665338 C -7.75935809 4.41106412 3.20452339 0.35740354 1.10645556 0.17356452 -0.87650357 -0.38960124 -1.81622780 -0.13879793 C -6.93620489 3.34706649 2.54738901 1.00805957 -0.10178623 1.43358756 -0.04359825 -1.60697350 0.91125977 0.69343645 O -7.37996697 2.20988975 2.37147474 -1.32477708 -0.93873420 0.92771413 -0.49597954 0.48598809 -0.23804994 -0.67115279 H -9.11828170 3.02392737 3.63374327 -0.13891826 0.06720264 0.16896265 -0.16140379 -1.28162942 -0.18615577 0.38694029 H -2.80012035 -9.39693236 4.03618896 -0.26682722 0.01137351 -0.18231351 1.20234805 2.31521668 -1.10001807 0.44511719 H -8.53016172 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.72830984308 free_energy=-104085.72830984308 pbc="F F F" N -8.91030101 4.59255285 4.03200178 0.24357938 0.16457550 0.16411608 0.42692872 0.22999707 -2.16547117 -0.82998856 C -7.52256971 4.78998990 3.49130687 -0.05651017 1.31637514 0.55848736 -1.65362172 -1.63252553 -1.02990227 -0.18416683 C -6.95803230 3.55858033 2.77761664 -0.08482878 -0.14930858 -0.50766162 -0.36337180 -2.71482876 1.70816804 0.67150361 O -7.29779714 2.40719565 3.10673504 0.77062416 0.57723046 1.39711783 -0.74365192 1.02960657 -0.23330417 -0.67863779 H -9.40255885 4.46002120 3.11410239 0.23250975 0.34674779 -0.14163210 -0.16101370 -0.02698164 1.45655996 0.32419704 H -2.09330489 -9.42542146 5.44908748 0.13599510 0.27276366 -0.08724856 0.89465174 0.46444626 -0.85530688 0.47419600 H -8.93578064 3.67533343 4.46119551 -0.23150805 -0.05402733 0.08084794 0.12998693 -0.20015156 -0.04516514 0.35561760 H 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0.16554535 -0.24867592 -0.78684810 0.16809914 0.13586282 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.40473945325 free_energy=-104085.40473945325 pbc="F F F" N -9.00731479 5.36210905 4.35753798 -0.14524820 0.34670785 0.11489524 1.24983250 1.10451221 1.41357870 -0.84494800 C -8.04071917 5.25500236 3.27869402 1.39297378 -0.30166102 -0.97447644 -1.24199879 -0.31763860 -1.62324455 -0.15859904 C -7.30595734 3.91571290 3.15656062 -0.64930730 -0.61598257 0.23604080 0.58394745 -0.77187556 1.98383350 0.69943842 O -7.38072385 3.16088890 4.11988653 0.58392917 -0.20034836 -1.44793589 -0.41400687 -0.30651913 -0.18918431 -0.65195950 H -9.60152007 4.58395561 4.37679913 0.08352435 -0.08292333 0.06688473 -0.96723019 -1.33333913 -0.41194792 0.34962971 H -0.48705179 -8.05138334 5.69294971 0.39535729 0.00072155 -0.11894136 -1.10178085 -0.93619392 2.36436808 0.46720217 H 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3.14805818 -0.13769871 0.31579997 -0.22514327 -0.40259284 0.08235510 0.51908689 0.14575166 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.22021151487 free_energy=-104086.22021151487 pbc="F F F" N -10.07704791 2.86105021 3.73083931 -0.56041804 0.26715095 -0.68456411 0.34620132 -1.90961095 1.66542963 -0.81205762 C -8.83538579 3.49689990 3.40945873 -0.32434060 0.66783448 -0.20417159 1.90340541 2.65793617 -0.86411848 -0.14241028 C -7.67803303 2.63991949 2.79607682 -0.16226602 0.61593245 -0.57591208 -1.35154166 -0.42763018 -0.45527060 0.68913353 O -8.01606195 1.53802580 2.38258623 -0.02047037 -0.22439093 -1.23338161 0.12747020 -0.40348808 0.02119862 -0.64509789 H -10.45257794 2.37710064 2.95626786 -0.23659578 -0.05474693 -0.07244368 -0.40715498 -0.18288302 -1.47957738 0.34705315 H 0.20681138 -5.11595556 4.89930748 0.01144847 0.25414718 0.04483495 -0.62708931 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0.13769395 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.18178104935 free_energy=-104086.18178104935 pbc="F F F" N -9.86021740 2.21737458 3.68603325 0.20299351 -1.55741065 -0.40712690 0.93130836 -0.09373329 0.98119207 -0.84322182 C -8.73551797 2.83992455 2.95227933 0.33652488 -0.08055832 0.19440023 -0.07756196 0.70454130 1.72969028 -0.18530686 C -7.64626790 1.91283793 2.38133328 0.23674333 -0.10257646 0.07292733 -1.60403405 1.16090517 1.31681587 0.72238237 O -7.89008350 0.78417844 2.04767370 -0.52468626 -0.73392898 -1.22426032 -0.19083078 -1.31926618 -0.76454926 -0.64744291 H -10.20702444 1.39413382 3.24259996 -0.00964445 0.05531485 -0.01126115 -0.14509568 -0.48643778 -0.90288732 0.34926194 H -1.67363213 -5.94070309 5.33418763 -0.13364284 0.00603025 0.08284439 1.19141983 -0.02014629 -1.83860721 0.43981602 H -9.42401399 1.81086081 4.53084208 -0.33753296 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-0.41117070 -7.24427177 4.99527691 -0.59607477 0.09233096 -0.68670031 2.34910633 -1.41981469 0.87352869 0.86583839 O -0.33016206 -8.15075895 5.80334893 0.42012826 -0.27557142 0.70043294 -0.62514516 0.52198448 -0.45619659 -0.66024549 O -1.09345231 -6.15727012 5.16183507 0.07905955 -0.24184333 0.30693985 -2.97286783 1.64486537 1.69027589 -0.67078456 H -0.53219284 -5.71471338 2.50447422 -0.05255982 -0.30031223 -0.03899365 0.15529960 -0.64051173 0.30248934 0.38270436 H 0.77108679 -8.20385476 3.58561103 0.01727774 -0.10330143 0.30365875 -0.18561010 -0.22796785 -0.25395961 0.15059482 H 1.38599810 -6.65996484 3.80684348 0.02613408 -0.03943712 -0.23310418 0.25169467 0.59484836 0.97981348 0.12576853 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.59922071101 free_energy=-104085.59922071101 pbc="F F F" N -9.65551664 0.99543821 3.29039105 -0.39925678 0.14802377 0.51127066 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.13824590629 free_energy=-104086.13824590629 pbc="F F F" N -9.65328695 1.52109693 3.39996499 -1.12336869 0.88475998 0.32730592 0.91092021 -0.58698822 -0.03776051 -0.84085959 C -8.41940687 2.30358737 3.14067718 0.41967297 0.24307992 -0.83008572 -1.51319821 0.80862732 1.52569090 -0.18759515 C -7.49698008 1.78004428 2.10688425 1.37178360 0.16460079 0.00812773 0.37770458 -0.52466903 0.74716753 0.74055206 O -7.74189338 0.73752462 1.53358306 0.17608392 -0.12473360 0.71466366 -0.28233035 -0.65632524 -0.75119052 -0.65180454 H -10.21972554 1.62508493 2.58907977 0.05811049 0.02905477 -0.02382956 -0.66760744 -0.12859081 -0.70193331 0.34150192 H -1.94819642 -6.57797957 5.74189183 -0.16732312 -0.11179457 -0.34443551 -1.58187965 0.40505383 2.15516868 0.47341306 H -9.36855946 0.52965058 3.38025868 -0.12030936 -0.20552076 0.24393524 -0.26120996 0.55360394 -0.00172348 0.34576540 H 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0.18138993 -0.32970169 -0.29653548 0.29301478 0.13135052 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104085.9062261537 free_energy=-104085.9062261537 pbc="F F F" N -9.64833967 2.37660996 3.30976014 0.02658817 -0.58141689 -0.23218661 -0.54098483 0.43026320 -0.00699623 -0.88025827 C -8.21049907 2.51465850 3.21609163 0.08046902 -0.00526225 0.28560481 0.28471200 0.47369976 1.53544737 -0.14033529 C -7.43453282 1.67717128 2.19483444 -0.48516877 0.05178461 -0.00897544 1.70715847 -0.16256208 0.87801569 0.70811555 O -7.65393258 0.50754134 1.94331490 -0.83963448 0.83817564 -0.19962404 -0.94988050 0.02413861 -0.00722865 -0.63168156 H -10.14945630 2.22466405 2.45987756 -0.25922240 0.01004044 -0.19345561 0.15521121 0.04917250 -0.66883445 0.35680533 H -2.18577170 -7.58147155 5.37698525 0.29297175 0.24550376 0.02621150 -0.61254533 -1.12858656 1.82329158 0.47587368 H -9.95983566 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.18647007426 free_energy=-104086.18647007426 pbc="F F F" N -9.67587707 2.13288936 3.21981007 0.61784126 0.28568225 -0.19861150 -0.82813985 -0.82893834 -0.93006777 -0.85533513 C -8.21387195 2.36263019 3.20605277 -0.40093742 -0.47799497 -0.32408067 -0.64574352 0.12239036 -0.43656294 -0.17474139 C -7.43619168 1.66529205 2.03456946 0.02164624 -0.57629131 -0.56888693 0.02961055 0.49688770 1.00846105 0.69972199 O -7.86020749 0.74960792 1.34460626 -1.19703456 0.31190985 -0.70687048 -0.42373991 0.21978333 0.52656575 -0.64177150 H -10.14105011 2.96238978 2.85769062 0.11890369 -0.13636595 0.02127710 0.13653451 -0.15178516 0.18704754 0.33859209 H -1.98159697 -7.84853083 5.00321314 -0.10679917 -0.13878392 0.22834034 -0.87323651 -1.56852406 0.89447945 0.46435587 H -9.97012347 1.40075359 2.53629143 -0.21814467 -0.11966156 0.04878875 0.78878267 0.47552315 0.83984576 0.35117325 H 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0.60034753 0.65030766 0.13567738 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.4088134121 free_energy=-104086.4088134121 pbc="F F F" N -9.89694211 1.89961468 2.43752737 -0.96864869 0.03397331 0.08499578 1.23313581 -1.19835153 0.97193474 -0.80963658 C -8.49801547 2.04763015 3.00423828 1.19603300 -0.06334479 -0.17741496 -0.50237532 1.51770875 -0.14443917 -0.21886057 C -7.49718587 1.25067200 2.15886533 0.47535970 -0.60953464 0.87525563 0.00793496 0.10421385 1.97063032 0.70578338 O -7.89972295 0.29835232 1.52838499 1.02244161 -0.58577992 0.48539343 0.21615899 -0.32137756 -0.94951863 -0.63276009 H -9.72203019 1.99018448 1.44323747 -0.09843794 0.01456247 -0.31075617 -0.40479365 -0.06241175 -0.24548516 0.34264686 H -2.81247540 -7.25371889 5.05999219 -0.18333611 -0.19726261 0.17279178 -0.03831763 -0.27502305 0.28067609 0.45972938 H -10.04318313 0.86588726 2.54639818 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H 0.53535400 -5.91449865 4.51276738 -0.19834036 0.06305832 -0.10386388 0.41427601 0.09604690 0.26786598 0.13392407 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.31095004757 free_energy=-104086.31095004757 pbc="F F F" N -9.57849604 1.02415081 2.91745990 -0.54805414 -0.54243223 0.21060425 0.48484389 1.21501840 -0.15867305 -0.86888425 C -8.19315664 0.59434463 3.22764821 0.29647513 -0.27362136 0.32870661 -1.23965773 -0.21361868 2.38635369 -0.16002641 C -7.23858528 0.69960294 2.10856316 0.20965591 -0.07849203 0.20014988 0.89430044 0.41260625 1.73287294 0.73779159 O -7.44207674 0.24432299 1.01674519 -0.67003361 -0.67228606 0.49927549 -0.51440508 -0.58645729 -1.28784775 -0.63052319 H -9.53037416 1.98458925 2.45470340 0.16470903 -0.16105390 -0.09768117 -0.34627735 -2.04222930 0.55383821 0.35081098 H -3.14241322 -5.84639627 4.47255061 -0.27801425 0.21647581 0.22569658 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Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.15716094451 free_energy=-104086.15716094451 pbc="F F F" N -9.29726817 0.35450392 3.18397244 0.71410956 -0.74518940 0.82304918 -0.29770993 -1.08556587 -0.08770000 -0.88688595 C -8.12849145 1.14528898 3.41837231 -0.89603072 0.99183595 0.48912856 1.11601050 -0.72645242 0.30453756 -0.17006310 C -7.03723831 0.82124704 2.34525279 -0.15597811 -0.13876546 0.44361198 -0.11719318 0.24816018 0.25497320 0.70363860 O -7.14130425 -0.08149366 1.52577001 0.40591518 -1.04439663 0.11489306 -0.88954579 0.05923461 0.16232329 -0.65394984 H -10.11709693 0.88059782 3.03048686 0.00700733 -0.12267203 0.00049855 -0.77131878 0.42272587 -0.37730092 0.36152258 H -3.43042218 -5.73877587 3.98712192 -0.16141053 -0.04619032 0.19788153 1.86395946 -0.39572470 -0.52373531 0.45554182 H -9.13907411 -0.33759458 2.45381449 0.13585068 0.05911380 0.46637157 -0.06029760 0.30263601 0.10431840 0.38271348 H 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0.17022562 -0.58613063 0.20563517 -0.46319206 0.13713069 138 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_multipoles=-2 energy=-104086.15903803913 free_energy=-104086.15903803913 pbc="F F F" N -8.38040993 0.33938694 4.67654301 0.26973754 -0.21680549 -0.48547303 -0.70403334 -0.98170918 -0.67774063 -0.86221954 C -8.10465487 1.45469743 3.76993446 0.06554997 0.37557203 0.21085511 0.51123036 0.68834525 0.00973949 -0.15620468 C -7.26914696 0.96977588 2.59264566 -0.10223019 0.52546486 0.73900871 -0.48741828 -0.03571859 0.39618828 0.71203766 O -7.69939181 0.01280518 1.94695675 -0.38758672 -0.06757653 0.53315389 0.81875451 0.72124066 -0.17008859 -0.65061295 H -8.26329625 -0.60748707 4.23536490 0.09556916 0.21142110 0.21388261 -0.15617061 1.55613668 0.21690780 0.36301154 H -3.65078752 -5.21218980 4.41846841 -0.39111191 0.01718121 0.21411465 1.46513367 -0.36409626 -0.63446450 0.45542434 H -7.70863408 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