Antimalarials Data from Fattorusso
  ASA basis set: Huzinaga
            3
            8
            1        Artemisinin     !1
           42
          152
            1
            6
           5.49384200000
          -4.87675958339              1.65209419461           6.389700698758E-03
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.75103877878             0.836413341807             0.804559180742             0.101830698669
            2
            8
           8.66611900000
          -3.01985151350              1.84545196176             -2.01273339633
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.53716522701             0.920131637574              1.08021616073             0.128605974656
            3
            6
           6.45050500000
          -5.67577519138             -1.09816483670             0.310425669320
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.40422101650             0.982061086465             0.944660042676             0.119562854359
            4
            1
          0.770266000000
          -7.43034512375             -1.39103563466            -0.703947665370
            3
          0.549160553236             0.163751308505              2.87196102381
          0.350286108053             0.380917652022           3.906223992161E-02
            5
            6
           5.87038000000
         -0.145395868512          -2.475759307348E-02            1.07174836985
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.00812819629             0.893739600351             0.859702212667             0.108809990686
            6
            6
           6.56678700000
          -6.99196685487              3.48677614018            -0.568997675057
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.48361505282             0.999764510811             0.961689245673             0.121718190698
            7
            1
          0.759978000000
          -6.25203990673              5.39019949037            -0.578594918462
            3
          0.549160553236             0.163751308505              2.87196102381
          0.345607537949             0.375829954001           3.854050804676E-02
            8
            1
          0.777428000000
          -8.45976941164              3.33179372816             0.844078644953
            3
          0.549160553236             0.163751308505              2.87196102381
          0.353543098632             0.384459457352           3.942544401256E-02
            9
            1
          0.765653000000
          -7.75087458448              3.05648218122             -2.41624629698
            3
          0.549160553236             0.163751308505              2.87196102381
          0.348188300521             0.378636397068           3.882830240813E-02
           10
            6
           6.39955900000
          -3.67961647208             -2.90335444598            -0.754588524910
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.36943653933             0.974304781477             0.937199130618             0.118618548576
           11
            1
          0.752343000000
          -3.46416336236             -2.53580017527             -2.75073701153
            3
          0.549160553236             0.163751308505              2.87196102381
          0.342135445925             0.372054237206           3.815331686631E-02
           12
            1
          0.775819000000
          -4.37760538021             -4.81156381755            -0.530882817197
            3
          0.549160553236             0.163751308505              2.87196102381
          0.352811389914             0.383663762745           3.934384733812E-02
           13
            6
           6.19388700000
          -1.07999282417             -2.75443598079             0.563548301155
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.22900955804             0.942992121805             0.907078989591             0.114806330558
           14
            1
          0.756021000000
          -1.31992704978             -3.53029361647              2.44877657360
            3
          0.549160553236             0.163751308505              2.87196102381
          0.343808052927             0.373873109029           3.833983804007E-02
           15
            1
          0.746284000000
          -6.01245687698             -1.44083475451              2.29595294896
            3
          0.549160553236             0.163751308505              2.87196102381
          0.339380055542             0.369057895612           3.784604884242E-02
           16
            8
           8.70060900000
           1.33024234715              1.82236807019             -2.82178243880
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.56318227440             0.923793639005              1.08451527726             0.129117809315
           17
            6
           5.05475500000
           3.68799497797              2.54250371750             -1.95337929115
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.45124268631             0.769564272428             0.740256006935           9.369203432696E-02
           18
            8
           8.57881500000
           5.38203265256              2.87040424729             -3.40568442916
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.47130868004             0.910862070368              1.06933387401             0.127310375552
           19
            8
           8.37197600000
          -3.71409615630              2.60805728892              2.30208328327
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.31528258366             0.888900785531              1.04355176434             0.124240866445
           20
            8
           8.34788700000
          -1.75624406862             0.854169796692              3.22180493320
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.29711138463             0.886343118020              1.04054911378             0.123883383548
           21
            6
           6.48749500000
           3.85504797559              2.69825144410             0.923442382408
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.42947673452             0.987692651682             0.950077134047             0.120248479746
           22
            1
          0.719379000000
           2.74914695450              4.29018516378              1.57815609416
            3
          0.549160553236             0.163751308505              2.87196102381
          0.327144739771             0.355752635575           3.648162464988E-02
           23
            6
           6.23985400000
           2.66923464593             0.200861318037              1.96754121705
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.26039451588             0.949990395888             0.913810739768             0.115658348459
           24
            1
          0.722290000000
           2.58264108701             0.312131956665              4.00620661698
            3
          0.549160553236             0.163751308505              2.87196102381
          0.328468545912             0.357192204874           3.662924921128E-02
           25
            6
           6.40507100000
           4.45295923450             -1.98872183785              1.17607111804
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.37319997587             0.975143959294             0.938006348991             0.118720715841
           26
            1
          0.769791000000
           5.99875589949             -2.05723288099              2.51551703033
            3
          0.549160553236             0.163751308505              2.87196102381
          0.350070097089             0.380682751501           3.903815140678E-02
           27
            6
           6.30406800000
          0.904972601669             -4.40662563242            -0.789263067688
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.30423800540             0.959766695667             0.923214716663             0.116848582267
           28
            6
           6.38176900000
           3.20890599479             -4.58010912629             0.956641341164
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.35729003423             0.971596332025             0.934593830388             0.118288803357
           29
            1
          0.781909000000
           4.58113772806             -5.90279766765             0.200316537929
            3
          0.549160553236             0.163751308505              2.87196102381
          0.355580877854             0.386675434688           3.965268745455E-02
           30
            1
          0.794353000000
           2.61745907624             -5.28217593882              2.79208551451
            3
          0.549160553236             0.163751308505              2.87196102381
          0.361239910356             0.392829333810           4.028375583039E-02
           31
            1
          0.759448000000
           1.44918801046             -3.48734616115             -2.54122065678
            3
          0.549160553236             0.163751308505              2.87196102381
          0.345366515189             0.375567854472           3.851363033548E-02
           32
            6
           6.56121600000
       -8.049434697940E-02           -7.08234013505             -1.37817285047
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.47981133275             0.998916350502             0.960873386900             0.121614929843
           33
            1
          0.790524000000
          -1.56049721374             -7.06873825110             -2.78841821118
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359498634604             0.390935788347           4.008957704454E-02
           34
            1
          0.805027000000
         -0.802755211375             -7.97435337728             0.323325963411
            3
          0.549160553236             0.163751308505              2.87196102381
          0.366094017790             0.398107919413           4.082506279308E-02
           35
            1
          0.793236000000
           1.45269459401             -8.23617516722             -2.09807580575
            3
          0.549160553236             0.163751308505              2.87196102381
          0.360731943520             0.392276946691           4.022710978604E-02
           36
            1
          0.768219000000
           5.27314164668             -1.56165776760            -0.651922049358
            3
          0.549160553236             0.163751308505              2.87196102381
          0.349355214487             0.379905354409           3.895843110086E-02
           37
            6
           6.55428000000
           6.59585894692              3.14997129322              1.74782898569
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.47507562958             0.997860374932             0.959857627350             0.121486368132
           38
            1
          0.768680000000
           7.86169348861              1.75467445031             0.965433723228
            3
          0.549160553236             0.163751308505              2.87196102381
          0.349564858812             0.380133331546           3.898180963841E-02
           39
            1
          0.791083000000
           6.72708512128              3.11063610096              3.79075950168
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359752845402             0.391212229171           4.011792542304E-02
           40
            1
          0.768550000000
           7.21926770632              4.98436175887              1.09206706328
            3
          0.549160553236             0.163751308505              2.87196102381
          0.349505740022             0.380069042982           3.897521699225E-02
           41
            6
           5.49966500000
         -0.581852954116              1.98519250008            -0.951502178272
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.75501455726             0.837299868010             0.805411944274             0.101938630451
           42
            1
          0.735179000000
         -0.437164973063              3.78308334360          -2.853538489925E-02
            3
          0.549160553236             0.163751308505              2.87196102381
          0.334329946580             0.363566168695           3.728288472207E-02
           964.120287649
            2        Chloroquine     !2
           48
          172
            1
            1
          0.737409000000
         -0.778057287870             -5.71659673171              1.56484100653
            3
          0.549160553236             0.163751308505              2.87196102381
          0.335344061211             0.364668964825           3.739597396010E-02
            2
            6
           6.32361700000
          -2.28150839059             -4.37201819076              1.65241574650
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.31758550558             0.962742945151             0.926077617967             0.117210931298
            3
            6
           5.63081800000
          -2.84670297986             -2.96310468828            -0.419585576513
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.84456208865             0.857267336863             0.824618967380             0.104369607102
            4
            7
           7.74240700000
          -5.58697031537             -2.51441461690              4.09083740247
            4
          0.395594481254              7.82049755696              25.2398907557              129.369505319
           5.62419293594              1.00432182653             0.992498937077             0.121393300508
            5
            6
           6.10355900000
          -4.91030739032             -1.23198305733            -0.245997576875
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.16733617341             0.929240080094             0.893850683848             0.113132062651
            6
            6
           5.85454400000
          -3.70058433255             -4.07702637383              3.89070225503
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.99731582672             0.891328638827             0.857383070765             0.108516463689
            7
            6
           5.69345000000
          -6.23069343123             -1.08537349632              2.05162464604
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.88732543365             0.866802784082             0.833791264401             0.105530517867
            8
            6
           6.20430600000
          -5.68673259547             0.325111224827             -2.27727117017
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.23612335437             0.944578368845             0.908604825627             0.114999451156
            9
            1
          0.742156000000
          -3.24066990700             -5.18712468149              5.52003106462
            3
          0.549160553236             0.163751308505              2.87196102381
          0.337502806573             0.367016486453           3.763670697040E-02
           10
            1
          0.705773000000
          -9.26646808481             0.664010178305              4.05204285029
            3
          0.549160553236             0.163751308505              2.87196102381
          0.320957276238             0.349024095599           3.579162815987E-02
           11
            6
           6.20288400000
          -7.67145288471              1.92703979929             -2.02127047304
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.23515245329             0.944361875583             0.908396577346             0.114973093781
           12
            1
          0.748943000000
          -4.68658845894             0.238803192458             -4.03256004116
            3
          0.549160553236             0.163751308505              2.87196102381
          0.340589262181             0.370372844003           3.798089381280E-02
           13
            1
          0.727785000000
          -8.26472561073              3.10991216397             -3.55008802281
            3
          0.549160553236             0.163751308505              2.87196102381
          0.330967451697             0.359909633006           3.690791529335E-02
           14
            6
           6.20931600000
          -8.97962711013              2.04612315304             0.297226245078
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.23954403962             0.945341119365             0.909338527378             0.115092313637
           15
            6
           6.16058000000
          -8.29476451735             0.594504703110              2.28336225602
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.20626848748             0.937921277180             0.902201264197             0.114188971144
           16
           17
           16.9567560000
          -11.5271863611              4.13022202107             0.555657326159
            4
           5.39164672574             0.290393127661              106.896046699              584.500264979
           7.09969031672              8.27297001310              1.38130708219             0.202788587993
           17
            7
           7.83353700000
          -1.40624692485             -3.22613040829             -2.67738788224
            4
          0.395594481254              7.82049755696              25.2398907557              129.369505319
           5.69039104490              1.01614293694              1.00418088923             0.122822128969
           18
            1
          0.672998000000
          -2.45807536570             -3.58853349686             -4.21395316693
            3
          0.549160553236             0.163751308505              2.87196102381
          0.306052519710             0.332815959650           3.412952063672E-02
           19
            6
           6.05319000000
          0.691435632678             -1.40992836647             -3.16361830462
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.13294565539             0.921571620824             0.886474271972             0.112198451808
           20
            1
          0.792628000000
        7.614781119081E-02           0.514408786910             -2.78585108458
            3
          0.549160553236             0.163751308505              2.87196102381
          0.360455449486             0.391976274024           4.019627648706E-02
           21
            6
           6.58617700000
           1.39292336767             -1.66104698398             -5.96768593528
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.49685399233              1.00271655324             0.964528861832             0.122077592597
           22
            1
          0.779258000000
           2.92526315125            -0.402069972979             -6.45916835849
            3
          0.549160553236             0.163751308505              2.87196102381
          0.354375309294             0.385364442517           3.951824818547E-02
           23
            1
          0.807356000000
         -0.210346235064             -1.19874115841             -7.16222954442
            3
          0.549160553236             0.163751308505              2.87196102381
          0.367153153655             0.399259673757           4.094317258473E-02
           24
            1
          0.782103000000
           1.96304203128             -3.58946072412             -6.35520593650
            3
          0.549160553236             0.163751308505              2.87196102381
          0.355669101280             0.386771373006           3.966252571113E-02
           25
            6
           6.39095600000
           2.93696897758             -2.02867651117             -1.43169395352
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.36356265606             0.972995012470             0.935939243160             0.118459088311
           26
            1
          0.790319000000
           3.61485944402             -3.90304024392             -1.91394774510
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359405408820             0.390834410228           4.007918094867E-02
           27
            1
          0.779021000000
           2.26348238493             -2.09501631166             0.502049487495
            3
          0.549160553236             0.163751308505              2.87196102381
          0.354267531192             0.385247239520           3.950622928439E-02
           28
            6
           6.42434200000
           5.09906745531          -8.773959068359E-02           -1.59157093767
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.38635766557             0.978077884498             0.940828537903             0.119077912024
           29
            1
          0.794165000000
           4.34872183101              1.79122783375             -1.25977501965
            3
          0.549160553236             0.163751308505              2.87196102381
          0.361154415490             0.392736362657           4.027422184978E-02
           30
            1
          0.778855000000
           5.96632348966          -8.972269294204E-02           -3.44329806449
            3
          0.549160553236             0.163751308505              2.87196102381
          0.354192041045             0.385165147969           3.949781098237E-02
           31
            6
           6.14574800000
           7.18817062375            -0.668663104620             0.345087421144
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.19614162049             0.935663170251             0.900029155540             0.113914053714
           32
            1
          0.794787000000
           7.90465562653             -2.55024619234          -3.277731019892E-02
            3
          0.549160553236             0.163751308505              2.87196102381
          0.361437276163             0.393043958708           4.030576512604E-02
           33
            1
          0.818288000000
           6.39045542000            -0.692004954305              2.24501983459
            3
          0.549160553236             0.163751308505              2.87196102381
          0.372124589150             0.404665847432           4.149756341442E-02
           34
            7
           7.69881300000
           9.30554319417              1.11868729276             0.121857104227
            4
          0.395594481254              7.82049755696              25.2398907557              129.369505319
           5.59252564347             0.998666943528             0.986910623434             0.120709789613
           35
            6
           6.17769600000
           8.86754450292              3.57761597844              1.34057703117
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.21795480458             0.940527113089             0.904707858842             0.114506223485
           36
            1
          0.817162000000
           9.17175233185              3.49753807749              3.37540098718
            3
          0.549160553236             0.163751308505              2.87196102381
          0.371612529475             0.404109009565           4.144046095611E-02
           37
            1
          0.785030000000
           6.90300400031              4.06361574811              1.05352720384
            3
          0.549160553236             0.163751308505              2.87196102381
          0.357000183579             0.388218854742           3.981096167514E-02
           38
            6
           6.59278200000
           10.4974198921              5.68332492647             0.179678622824
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
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           39
            1
          0.802606000000
           12.4835990229              5.43090974913             0.602536323206
            3
          0.549160553236             0.163751308505              2.87196102381
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           40
            1
          0.805647000000
           9.92551827847              7.50772107992             0.918701652665
            3
          0.549160553236             0.163751308505              2.87196102381
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           41
            1
          0.784484000000
           10.2561957443              5.67903427249             -1.85171677137
            3
          0.549160553236             0.163751308505              2.87196102381
          0.356751884660             0.387948842775           3.978327256125E-02
           42
            6
           6.18064500000
           11.8192903526           8.397509359416E-03           0.518059022001
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.21996829775             0.940976085401             0.905139732387             0.114560884455
           43
            1
          0.781451000000
           13.2255797808              1.37727287465          -5.172087970450E-02
            3
          0.549160553236             0.163751308505              2.87196102381
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           44
            1
          0.789480000000
           11.9954313905             -1.58600970814            -0.755129990153
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359023865243             0.390419501729           4.003663302458E-02
           45
            6
           6.61707400000
           12.3855006355            -0.879402988321              3.24226166281
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.51794958356              1.00742048594             0.969053648858             0.122650281636
           46
            1
          0.803209000000
           14.2591160966             -1.70689246683              3.33275278678
            3
          0.549160553236             0.163751308505              2.87196102381
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           47
            1
          0.799481000000
           11.0338117718             -2.29471236933              3.84870258389
            3
          0.549160553236             0.163751308505              2.87196102381
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           48
            1
          0.796409000000
           12.3181709562             0.682023859928              4.56468935297
            3
          0.549160553236             0.163751308505              2.87196102381
          0.362174896760             0.393846082171           4.038802106510E-02
           1790.67527843
            3        Endoperoxyde  !3  (2) FTTRSS
           53
          178
            1
            8
           8.37621500000
         -0.758238662833              1.00267171055             0.291152172441
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.31848021381             0.889350864513              1.04408014808             0.124303773581
            2
            8
           8.36603200000
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            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.31079881069             0.888269676906              1.04281085543             0.124152656958
            3
            6
           5.88458900000
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            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.01782969663             0.895902858263             0.861783084560             0.109073360546
            4
            6
           5.40306800000
         -0.601057225790             -1.63276658844            -0.459999892718
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.68906087805             0.822593398552             0.791265559434             0.100148163962
            5
            6
           6.31315600000
          -5.18708624681             -1.70577374857             -1.85509705005
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.31044303285             0.961150303796             0.924545631137             0.117017032213
            6
            6
           6.41209700000
          -2.40306750168             -2.09973649300             -2.65655434801
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.37799712848             0.976213636970             0.939035288812             0.118850945740
            7
            1
          0.752125000000
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            3
          0.549160553236             0.163751308505              2.87196102381
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            8
            1
          0.783126000000
          -2.13773078279             -3.98438174168             -3.40430654911
            3
          0.549160553236             0.163751308505              2.87196102381
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            9
            8
           8.66796400000
          -1.36621165521             -3.00616626474              1.73915708764
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.53855697687             0.920327531823              1.08044613667             0.128633354620
           10
            6
           6.27301800000
          -1.24244513690             -5.72404224261              1.69358790133
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.28303795012             0.955039469390             0.918667523176             0.116273057307
           11
            1
          0.809243000000
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            3
          0.549160553236             0.163751308505              2.87196102381
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           12
            1
          0.767579000000
          -1.98075358285             -6.34134942367              3.48989064865
            3
          0.549160553236             0.163751308505              2.87196102381
          0.349064168135             0.379588856864           3.892597499667E-02
           13
            1
          0.807659000000
          0.679601661721             -6.39122728125              1.49452730618
            3
          0.549160553236             0.163751308505              2.87196102381
          0.367290945912             0.399409515563           4.095853852156E-02
           14
            1
          0.735973000000
          -5.89459932982             -3.35543714482            -0.889461346185
            3
          0.549160553236             0.163751308505              2.87196102381
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           15
            1
          0.704222000000
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            3
          0.549160553236             0.163751308505              2.87196102381
          0.320251943595             0.348257083582           3.571297281988E-02
           16
            6
           6.57828500000
          -6.79210966770             -1.23168691173             -4.22800214957
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.49146555960              1.00151503087             0.963373098514             0.121931311020
           17
            1
          0.787022000000
          -8.78366355438             -1.16055179312             -3.76896295107
            3
          0.549160553236             0.163751308505              2.87196102381
          0.357906065349             0.389203953348           3.991198129943E-02
           18
            1
          0.792795000000
          -6.52242722715             -2.75806466810             -5.57037548524
            3
          0.549160553236             0.163751308505              2.87196102381
          0.360531394393             0.392058860102           4.020474550175E-02
           19
            1
          0.800094000000
          -6.23673634676             0.517876370517             -5.14073746680
            3
          0.549160553236             0.163751308505              2.87196102381
          0.363850687083             0.395668415686           4.057489722750E-02
           20
            6
           6.61844800000
          -7.49222597250              2.23893407219           8.145351894374E-02
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.51888771161              1.00762967141             0.969254867662             0.122675749311
           21
            1
          0.731026000000
          -7.79866905526              3.05564885148             -1.76880827003
            3
          0.549160553236             0.163751308505              2.87196102381
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           22
            1
          0.720302000000
          -7.08649707840              3.78006173236              1.36646637238
            3
          0.549160553236             0.163751308505              2.87196102381
          0.327564483182             0.356209084377           3.652843243764E-02
           23
            6
           5.06475000000
          -9.82817079678             0.845731264998             0.938960923723
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.45806698752             0.771085967328             0.741719749251           9.387729590405E-02
           24
            8
           8.59379200000
          -9.86634288966             -1.39077399826              1.33394463135
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.48260636977             0.912452264495              1.07120073015             0.127532635561
           25
            8
           8.70887900000
          -11.9655247760              2.21243393706              1.25039885985
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.56942063282             0.924671712413              1.08554611790             0.129240536849
           26
            6
           6.27129700000
          -12.1227261084              4.90965255193             0.874274008916
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.28186290036             0.954777454690             0.918415487106             0.116241157840
           27
            1
          0.789857000000
          -10.9231245331              5.91362889453              2.18744049695
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359195309735             0.390605938563           4.005575169846E-02
           28
            1
          0.749329000000
          -14.0689006274              5.38518154416              1.22761490217
            3
          0.549160553236             0.163751308505              2.87196102381
          0.340764799512             0.370563731584           3.800046890064E-02
           29
            1
          0.793130000000
          -11.6271530118              5.42753318310             -1.03852064562
            3
          0.549160553236             0.163751308505              2.87196102381
          0.360683738968             0.392224526785           4.022173424379E-02
           30
            6
           6.43165800000
           2.18004891459             -2.05482884606             -1.11249892574
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.39135282191             0.979191713401             0.941899947486             0.119213517196
           31
            1
          0.766365000000
           2.62636539544            -0.821388257092             -2.68269650537
            3
          0.549160553236             0.163751308505              2.87196102381
          0.348512089587             0.378988500586           3.886440982404E-02
           32
            1
          0.796722000000
           2.45188553801             -3.98864827365             -1.73457539697
            3
          0.549160553236             0.163751308505              2.87196102381
          0.362317236617             0.394000869251           4.040389412855E-02
           33
            6
           6.40002100000
           3.93409597776             -1.46057091621              1.12887787778
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.36975197976             0.974375118950             0.937266789342             0.118627111942
           34
            1
          0.747246000000
           3.66450539549             0.490804890371              1.67286867752
            3
          0.549160553236             0.163751308505              2.87196102381
          0.339817534589             0.369533630983           3.789483442403E-02
           35
            1
          0.780234000000
           3.40262710320             -2.62038438039              2.72942069553
            3
          0.549160553236             0.163751308505              2.87196102381
          0.354819154981             0.385847101271           3.956774374436E-02
           36
            6
           6.47851000000
           6.73855434111             -1.91246887527             0.451851606516
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.42334203254             0.986324724851             0.948761303662             0.120081938948
           37
            1
          0.764573000000
           7.26981302119            -0.730165709034             -1.12806089297
            3
          0.549160553236             0.163751308505              2.87196102381
          0.347697159802             0.378102307462           3.877353273231E-02
           38
            1
          0.792950000000
           6.97580709471             -3.87189573912            -0.127780340668
            3
          0.549160553236             0.163751308505              2.87196102381
          0.360601882181             0.392135511851           4.021260596448E-02
           39
            6
           6.17913600000
           8.42362264108             -1.37796687812              2.69114047726
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.21893799555             0.940746346771             0.904918743177             0.114532914498
           40
            1
          0.783755000000
           7.90963185478             -2.37020462469              4.39286844476
            3
          0.549160553236             0.163751308505              2.87196102381
          0.356420364675             0.387588332291           3.974630303007E-02
           41
            6
           6.21166700000
           10.3572464253             0.197196917360              2.79282285976
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.24114923543             0.945699048800             0.909682825346             0.115135890422
           42
            1
          0.778169000000
           11.2951269511             0.459395592153              4.58192131171
            3
          0.549160553236             0.163751308505              2.87196102381
          0.353880075736             0.384825902164           3.946302209569E-02
           43
            6
           6.09557400000
           11.3834042811              1.76913223322             0.697592446360
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.16188424293             0.928024398876             0.892681300917             0.112984057279
           44
            6
           6.20989900000
           12.2768852238             0.716534081416             -1.38682468659
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.23994209541             0.945429878557             0.909423906245             0.115103119790
           45
            1
          0.779032000000
           12.2323457379             -1.31254372160             -1.50933290222
            3
          0.549160553236             0.163751308505              2.87196102381
          0.354272533551             0.385252679321           3.950678712368E-02
           46
            6
           6.60284500000
           11.3561193080              4.57888916816              1.27841038552
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.50823442780              1.00525418312             0.966969848017             0.122386541068
           47
            1
          0.776004000000
           9.42089787435              5.22184531056              1.49938094875
            3
          0.549160553236             0.163751308505              2.87196102381
          0.352895520500             0.383755250316           3.935322918074E-02
           48
            1
          0.788173000000
           12.2521355737              5.69968900035            -0.172404911874
            3
          0.549160553236             0.163751308505              2.87196102381
          0.358429494022             0.389773154400           3.997035157431E-02
           49
            1
          0.790390000000
           12.3292697703              4.93298185020              3.05138673012
            3
          0.549160553236             0.163751308505              2.87196102381
          0.359437696775             0.390869521674           4.008278154773E-02
           50
            6
           6.63100100000
           13.4020333339              2.01411503587             -3.66632396444
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.52745854233              1.00954081059             0.971093222568             0.122908424506
           51
            1
          0.786007000000
           13.3988712152              4.04889629388             -3.50442287300
            3
          0.549160553236             0.163751308505              2.87196102381
          0.357444484025             0.388702008025           3.986050794669E-02
           52
            1
          0.788439000000
           12.3503394070              1.51197383419             -5.35678432564
            3
          0.549160553236             0.163751308505              2.87196102381
          0.358550460162             0.389904698692           3.998384114261E-02
           53
            1
          0.786558000000
           15.3398543363              1.39816830393             -3.95050605000
            3
          0.549160553236             0.163751308505              2.87196102381
          0.357695056744             0.388974492629           3.988845062389E-02
           1077.71166026
            4        Endoperoxyde     !4             (3)  FTTRSS
           56
          186
            1
            8
           8.37620700000
          -1.48368502526             0.939036822046             0.468316546872
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.31847417912             0.889350015107              1.04407915089             0.124303654860
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            8
           8.36604500000
          -3.77509351111              2.21036206864            -0.425581852097
            4
          0.523922288678              8.78365782284              31.1471657542              163.782551298
           6.31080861706             0.888271057190              1.04281247585             0.124152849879
            3
            6
           5.88457000000
          -5.92357373884             0.519876976010           4.152999544167E-02
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.01781672397             0.895899965597             0.861780302058             0.109073008373
            4
            6
           5.40306300000
          -1.33356338068             -1.64024421889            -0.458530449176
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           3.68905746419             0.822592637324             0.791264827197             0.100148071285
            5
            6
           6.31316500000
          -5.86430452625             -1.54340389844             -2.02241076530
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.31044917780             0.961151674006             0.924546949164             0.117017199032
            6
            6
           6.41208700000
          -3.05762128332             -1.92512980360             -2.74690792349
            4
          0.273985250533              5.85693165068              18.3353235047              93.0795347446
           4.37799030076             0.976212114514             0.939033824338             0.118850760385
            7
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           16
            6
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            1
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           19
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           20
            6
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           23
            6
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           24
            8
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            8
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           26
            6
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            1
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           28
            1
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            1
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           30
            6
           6.43167500000
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           31
            1
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            6
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            1
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            1
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           36
            6
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            1
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            1
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           39
            6
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            1
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           41
            6
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            1
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           43
            6
           6.09548400000
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            6
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            1
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           46
            6
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            1
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           48
            1
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            1
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           50
            6
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            1
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            1
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           53
            6
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           1113.79283445
            5        Endoperoxyde     !5             (4)  FTTRSS
           48
          170
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            8
           8.37990100000
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            6
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            8
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            6
           6.27533800000
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            1
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            1
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            1
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            1
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            6
           6.57845400000
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            1
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            1
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            1
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           20
            6
           6.61853500000
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            1
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            1
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            6
           5.06371400000
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           24
            8
           8.59352500000
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           25
            8
           8.70857300000
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            6
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            6        Endoperoxyde     !5  FTTRSS
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            6
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            6
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            8
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            8
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            6
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            6
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            6
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            6
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            6
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            6
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            1
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            6
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            6
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            1
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            1
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            1
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            6
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            1
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            6
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            1
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            1
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           54
            8
           8.66047700000
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            1
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           56
            8
           8.67308000000
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            1
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           1261.39136760
            7        Peroxyplakoric B(3) ester_9     !7      (9) FTTRSS
           53
          178
            1
            8
           8.37501400000
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           8.35458500000
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           5.88556600000
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           5.39106100000
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            6
           6.45323800000
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            6
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            8
           8.66931700000
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            6
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            1
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            1
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            1
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            1
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           16
            6
           6.43549400000
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            1
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            1
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           19
            6
           6.39655000000
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            1
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            1
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           22
            6
           6.47669500000
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            1
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            1
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           25
            6
           6.19316300000
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           26
            1
          0.782460000000
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           27
            6
           6.23004500000
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            4
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            1
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           29
            6
           6.25239300000
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           30
            6
           6.18384900000
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            4
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           31
            1
          0.784710000000
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           32
            6
           6.47584800000
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            1
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            1
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           35
            6
           6.57563900000
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           36
            1
          0.788299000000
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           37
            1
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           38
            1
          0.801871000000
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            1
          0.774415000000
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            1
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           41
            6
           6.51082000000
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          0.273985250533              5.85693165068              18.3353235047              93.0795347446
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            1
          0.733066000000
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           43
            6
           6.55434900000
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            1
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            1
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            1
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           47
            6
           5.04075800000
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          0.273985250533              5.85693165068              18.3353235047              93.0795347446
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           48
            8
           8.58582000000
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            8
           8.71056200000
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            6
           6.27859600000
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          0.273985250533              5.85693165068              18.3353235047              93.0795347446
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            1
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            1
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            1
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           1077.25460376
            8        Plakortin               !8
           54
          172
            1
            8
           8.36665400000
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           8.38241400000
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           5.85150000000
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           5.78618600000
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            6
           6.31185500000
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            6
           6.39318300000
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            6
           6.57170200000
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            6
           6.43900800000
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           18
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