##TITLE=	msf120

##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	1
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	msf120
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ NMR Spectrum
##$MNOVA/ITEM/POLYGON=	(XY..XY)
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##$MNOVA/ITEM/Z=	0
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##TITLE=	msf120
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	2
##DATA TYPE=	NMR SPECTRUM
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##OWNER=	msf120
##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
##.SOLVENT NAME=	CHLOROFORM-D
##.PULSE SEQUENCE=	proton.jxp
##LONGDATE=	2021/03/16 16:41:22.000
##.ACQUISITIONMODE=	SIMULTANEOUS
##$ORIGINAL FORMAT=	JEOL Delta
##$MNOVA/SCALES_VERSION=	8
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##$OBSERVED INTEGRALS=	(X Y Z)
(3.6911637506723629087, 3.9163420982333030373, 3)
(2.4323353980425168608, 2.6412357927677270197, 1.9735316579037984752)
(2.2451389404316119958, 2.407918468788920574, 3.0452582579111338035)
(1.7023472409477777845, 1.8130546029994756285, 1.9906354487364930073)
(6.8599482154988162819, 6.9145910452228918075, 0.95146052924214430391)
(6.7071171663588593503, 6.7820248865766288304, 1.9200252970408666631)
(0.83518966721543030918, 0.94278765147670007263, 3.0641190380599989673)
(1.2343434797975636474, 1.3176451450320953995, 20.372535114439148884)
(1.3360940287848279695, 1.5923958490602729832, 4.0671590527756631417)
##$OBSERVED MULTIPLETS=	
(1, 3.6911637506723629087, 3.9163420982333030373, 3.7995008365634945768, 3, 3, s, A)
(2, 2.4323353980425168608, 2.6412357927677270197, 2.5582803921351100485, 1.9735316579037984752, 2, t, B, 7.508 7.508)
(3, 2.2451389404316119958, 2.407918468788920574, 2.3411457619809126207, 3.0452582579111338035, 3, s, C)
(4, 1.7023472409477777845, 1.8130546029994756285, 1.7570810853905503013, 1.9906354487364930073, 2, p, D, 7.47513 7.47513 7.54535 7.54535)
(5, 6.8599482154988162819, 6.9145910452228918075, 6.8875293898903979795, 0.95146052924214430391, 1, d, E, 7.83105)
(6, 6.7071171663588593503, 6.7820248865766288304, 6.7500690799668943143, 1.9200252970408666631, 2, m, F)
(7, 0.83518966721543030918, 0.94278765147670007263, 0.87576017346430423682, 3.0641190380599989673, 3, m, G)
(8, 1.2343434797975636474, 1.3176451450320953995, 1.2734348573680254191, 20.372535114439148884, 20, s, H)
(9, 1.3360940287848279695, 1.5923958490602729832, 1.4191356534409635959, 4.0671590527756631417, 4, m, I)
##$OBSERVED MULTIPLETS PEAKS=	
(1, 3.7995008365634945768, 0.68697569805124358844)
(1, 3.792101179057075111, 0.018584484750287386112)
(2, 2.5770438260716397316, 0.0773430470145226312)
(2, 2.5707650672249986457, 0.0028214821809084494018)
(2, 2.558313228085197899, 0.13748306822333677957)
(2, 2.5520339942516843124, 0.0062671860541554103019)
(2, 2.5394841222484925147, 0.086435746525417481156)
(2, 2.5331510343445162725, 0.0020133682802765538906)
(2, 2.4975534706144992825, 0.002154476314048020015)
(3, 2.396300733365566149, 0.00073005195877786960464)
(3, 2.3638482570355048296, 0.00025138120715628676453)
(3, 2.3411457619809126207, 0.38091796243615533291)
(3, 2.2898995518497380353, 0.0051317868154300517666)
(3, 2.2816152142004111347, 0.002407843012311431611)
(4, 1.7943421422779859409, 0.012211499006093215133)
(4, 1.7758200941069957057, 0.036807111679369210189)
(4, 1.7573215949076084197, 0.053918643847700932492)
(4, 1.7383974962903074868, 0.039968354105093861772)
(4, 1.7195240993698541754, 0.015877386469271732861)
(5, 6.9078612410887902939, 0.00036714726314591056592)
(5, 6.8973233367647059922, 0.091962829154025177436)
(5, 6.8874884610198048307, 0.0013361965368705410774)
(5, 6.8777354430160899668, 0.10348027594943381979)
(5, 6.867428760640020613, 0.00067690119505143652584)
(5, 6.8602194012661508182, 0.00075189013257102583869)
(6, 6.7718453366681927719, 0.0507831878756181479)
(6, 6.7670750688564762498, 0.072527504391766528524)
(6, 6.7563147380873118664, 0.0016276772819069733594)
(6, 6.7453360235036283754, 0.039201211265544322337)
(6, 6.7406654500841867161, 0.025941438896769471872)
(6, 6.7254235207219936754, 0.030278290113609804962)
(6, 6.7204218681943013181, 0.021788366718571906822)
(7, 0.90112328664711405235, 0.067767607308068855687)
(7, 0.8845037680034516514, 0.2222411552186009942)
(7, 0.87833617660796248217, 0.0050205080611838382929)
(7, 0.86701657892515682224, 0.085028197609957348324)
(7, 0.85925737367348820062, 0.0014891041497394857766)
(8, 1.3064173689376432641, 0.01170334409765083454)
(8, 1.2734348573680254191, 0.093642121757413709915)
(9, 1.5604643937941449217, 0.0440488788898856648)
(9, 1.4580719240942681125, 0.0030453407854367526425)
(9, 1.4542923530044111757, 0.0017735255578271021896)
(9, 1.4398341984490894419, 0.013610769804296122751)
(9, 1.4333966170538561258, 0.005528974819829217402)
(9, 1.4238168162854165644, 0.015930361670965589166)
(9, 1.4198124707444987891, 0.012055134017969164686)
(9, 1.4135199277516272698, 0.012317483992743186866)
(9, 1.4065859829210289877, 0.007287880856783362192)
(9, 1.4017583816921648232, 0.011598652559154012248)
(9, 1.3970142512359595699, 0.0070706986443732763523)
(9, 1.3839532800868514784, 0.0052618494939951458711)
(9, 1.3560638022887194776, 0.0081346260303130340369)
(9, 1.3378152365220470355, 0.0097473162432905931934)
##END=	
##TITLE=	msf120
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	3
##DATA TYPE=	NMR PEAK TABLE
##DATA CLASS=	PEAK TABLE
##CROSS REFERENCE=	NMR SPECTRUM: BLOCK_ID=2                                     
##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
##NPOINTS=	159
##FIRSTX=	0.70932716191300082542
##LASTX=	7.5188994828373258983
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	0.00054005112775181872333
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
0.70932716191300082542,0.00054005112775181872333,0.0031756409575425348195
0.72708171196231552447,0.0012792267798928870937,0.0024516401271468825883
0.74419403581756582433,0.00044018600948182262482,0.0028744350010936419414
0.83824844683257615507,0.00038663869525500186566,0.022624395684214385072
0.85925737367348820062,0.0014891041497394857766,0.0028233809086398290768
0.86701657892515682224,0.085028197609957348324,0.0037177010265459814638
0.87833617660796248217,0.0050205080611838382929,0.0068555839385016012488
0.8845037680034516514,0.2222411552186009942,0.0026003453682016488581
0.90112328664711405235,0.067767607308068855687,0.004584756563238217078
0.92208917226990627647,0.00036261640879044177658,0.0026967914631618595915
0.95901226567493480513,0.00015531936355197163008,0.0029925030040201662344
0.97869164880507186766,0.00010596935159121281019,0.0038162212726970297372
0.9971387425458859699,0.00018007644765914555362,0.0028137883595948311351
1.0200862249585482822,0.00037374781662338676241,0.0073999957749161411613
1.0346081822746924228,0.00052256378523855384448,0.0031142617639375222947
1.0383338001821873497,0.0010473913514413625038,0.0029648223515500878554
1.052583163527500254,0.0004006887597395548061,0.010255216267858167228
1.1082431477912038087,0.00087259747504784396493,0.032612063470634569673
1.1419563067615916552,0.00030591947177469470519,0.037000037393244748773
1.1861734567237054438,0.00015849363575009650347,0.0028895263490916847128
1.2166750774573313887,0.00027701744864026806416,0.0030912090073570834027
1.2259385404906386619,0.0007032741571710292728,0.0055371442559151709192
1.2360893782392898821,0.002663934730487615022,0.0068669188428252979015
1.2635373519726760261,1.0376775275746061844,0.0064112490242208865221
1.2734348573680254191,0.093642121757413709915,0.013019931870801092905
1.2865492915672225305,0.05606120721229362891,0.016233871741683971596
1.2932243110535017738,0.0067867551091939743932,0.0053254103279774126292
1.3064173689376432641,0.01170334409765083454,0.016351808959258185699
1.3083521868640479724,0.055988454017631861248,0.041145853107327053089
1.3232115886525490644,0.0076368147078618676613,0.0054381467179049547064
1.3378152365220470355,0.0097473162432905931934,0.014250421575452835651
1.3560638022887194776,0.0081346260303130340369,0.01704609840133284801
1.3839532800868514784,0.0052618494939951458711,0.007311213383730834868
1.3970142512359595699,0.0070706986443732763523,0.0071222364761030125882
1.4017583816921648232,0.011598652559154012248,0.008814588633723797334
1.4065859829210289877,0.007287880856783362192,0.013814058778838509897
1.4135199277516272698,0.012317483992743186866,0.0095432094688889593237
1.4198124707444987891,0.012055134017969164686,0.0085777993947815586728
1.4238168162854165644,0.015930361670965589166,0.0093537998421468742521
1.4333966170538561258,0.005528974819829217402,0.0080304101789293504815
1.4398341984490894419,0.013610769804296122751,0.01144888158161005455
1.4542923530044111757,0.0017735255578271021896,0.0045809852953632053396
1.4580719240942681125,0.0030453407854367526425,0.0040066239862087483017
1.4888447663174311231,0.00019752680820333214551,0.0062516006385590003336
1.5604643937941449217,0.0440488788898856648,0.0072307784984168375214
1.6270259506782702719,0.00022973041258508687472,0.0013951136103380768622
1.709704218983418178,0.00037278157052553949824,0.0024233781452595586255
1.7195240993698541754,0.015877386469271732861,0.0034615084907814890926
1.7383974962903074868,0.039968354105093861772,0.0065764486146931110111
1.7573215949076084197,0.053918643847700932492,0.0068874494841998758557
1.7758200941069957057,0.036807111679369210189,0.0060671418483590399892
1.7943421422779859409,0.012211499006093215133,0.0038069561315185801095
1.8953904858458512361,0.00017407352093645427744,0.0058372383979687714542
1.9126050244766936714,0.00063712193144200462199,0.0047256535770855917847
1.9242423454881227851,0.00035586298385763704549,0.0038341854081930222889
2.0368074677288241503,0.00030297709697098973306,0.0032964379559129865054
2.0662186048647450676,0.00052466652502112978273,0.0040661414601123454723
2.099631981245973833,0.00017007604929504120976,0.0026314093224247244243
2.1321252506700894003,0.00014048363951604017066,0.0040483191932997953169
2.1709132843481664388,0.00019113083275194451757,0.0014897153901603471353
2.1810993927956352501,0.0020549370451204817395,0.0040656228325634804696
2.2157962473453554075,0.00014462930579631097603,0.011440987260018787436
2.2628376490531110221,0.00021518463032506248171,0.011959143961701059269
2.2816152142004111347,0.002407843012311431611,0.0039281974364615418471
2.2898995518497380353,0.0051317868154300517666,0.0047877703483542085466
2.3038045774869893023,0.00024080136722790922849,0.005669546467513142049
2.3411457619809126207,0.38091796243615533291,0.0038004292345311559143
2.3638482570355048296,0.00025138120715628676453,0.00347577436445428321
2.3780700417386659851,0.00088191505798492126917,0.0058391403450127835756
2.396300733365566149,0.00073005195877786960464,0.0044446179857914776268
2.4150501325850077805,0.00067170976534402485232,0.0045763949040075156682
2.4442357853048282124,0.00021370078216591126686,0.0035140074653922446883
2.4533887550976274383,0.00018378306708603494093,0.0032926287200613240692
2.4911331861370071827,0.0010642811187889711019,0.0037696376986478849318
2.4975534706144992825,0.002154476314048020015,0.0045912741679255252708
2.5331510343445162725,0.0020133682802765538906,0.0024516401271468838893
2.5394841222484925147,0.086435746525417481156,0.0030380025204404044643
2.5520339942516843124,0.0062671860541554103019,0.0037755080484266016067
2.558313228085197899,0.13748306822333677957,0.0036071251494777514454
2.5707650672249986457,0.0028214821809084494018,0.0039976297786062106945
2.5770438260716397316,0.0773430470145226312,0.0028402702697315398289
2.5961713239960197974,0.00031931892729094934298,0.0041992913187892761881
2.6141990699979458235,0.00021927864603675956698,0.0039979367220588325413
2.6328094532148336171,0.00023564135423849859015,0.0043313542879643606234
2.6517962732269766413,0.00018635408279528607408,0.0034212130018208722175
2.67034157414499429,0.00014213761540089750262,0.0073517104742290865713
2.689613067797206547,0.00028152946486549725947,0.0028114808491108388144
2.6983427970234004079,0.0003913508216809378072,0.0039123907190285580129
2.7087010373418380915,0.00041446842313281001633,0.003803408874315167016
2.7167496374336548293,0.00064796213524361868669,0.0040451638710688698694
2.727025229276812901,0.00020806088353591799538,0.0034042918090436092779
2.7355260056176411432,0.00037091657156363078618,0.0037365762482809527882
3.4856224799702939521,0.00057466137131333020014,0.0020436053111245878859
3.6165171720244204678,0.0036452657776718942924,0.0024373184661691605149
3.6670764106352327083,0.00018757035079913553016,0.0019849735143101158823
3.6856700756241513872,0.00010972674641142966595,0.0019624537503729702105
3.7240716430340641274,0.00025515265092158228612,0.0020898542771616967356
3.7554778223072595722,0.00035275975796122727201,0.0034322961780056363175
3.7623546121816819898,0.00054610168504570788528,0.0027472725870269238541
3.7676119862234549451,0.00023549726539716866352,0.0026023027413153054961
3.7728081460563851479,0.00040855324769757342005,0.0049608224903693711252
3.7811750299464375047,0.00016753156490901171876,0.0016380005708585842778
3.7879484888110783736,0.0034220140675123010034,0.0019369823680341078168
3.792101179057075111,0.018584484750287386112,0.002564614271149913069
3.7995008365634945768,0.68697569805124358844,0.0021860839834519623509
3.8211036360638033216,0.0001756562046059821408,0.0024708827308616591531
3.8332887331922331775,0.00018610209957576394975,0.0024061294213062823025
3.8372404184616639711,0.00091244451350787217705,0.0026145633214055817063
3.8535947731550601603,0.00015014131219557539255,0.0044805339734135009311
3.8598032659023915336,0.0017720147109940870972,0.0021012061352504579625
3.8693071995002545904,0.0082065206339001287028,0.0020485709687178645967
3.8740903949974705434,0.00054597722491058484681,0.0041842580127099265885
3.8796627825656559985,0.00014792773689208135279,0.0020927841348274515976
3.9119961985880866706,0.0004120112800480838942,0.0023577690929226409466
3.9495973546627047845,0.0019312540611115874487,0.0022621736039068066418
3.9775238622492938845,0.0037156639515211003187,0.002427704707847432291
3.9871700118360910992,0.00015297062706453662872,0.0023006660189114685675
4.024572189094328678,0.00016276361584780313298,0.0026314093224247244243
4.5156576317021794864,0.0001137030270347834073,0.0017511715193906315664
4.7102404066533338778,0.00016072536825859916917,0.0036896343974072011267
4.9756713110799157818,0.00011765776603703480524,0.0020128210812695346461
6.5206859738452624953,0.00019212195998206293068,0.010203448521956454131
6.5411633442250902704,0.00017868856253593163523,0.010276106731681064824
6.5737926902911159033,0.00037912828206137708228,0.0060877836746353773331
6.6546361914506437785,0.00038935206165324325609,0.0063508261363814265052
6.6760129775190861778,0.0012742504586746008968,0.009733351932897805342
6.6922147222988241921,0.00078159159061556577729,0.0041102376261844229821
6.7204218681943013181,0.021788366718571906822,0.0042233512849520682061
6.7254235207219936754,0.030278290113609804962,0.0055949883521705916917
6.7406654500841867161,0.025941438896769471872,0.004834033565234961867
6.7453360235036283754,0.039201211265544322337,0.0053709552966775342756
6.7563147380873118664,0.0016276772819069733594,0.0061264393443117232466
6.7670750688564762498,0.072527504391766528524,0.004589020103126246336
6.7718453366681927719,0.0507831878756181479,0.0049610208497123508414
6.7962940952397152827,0.0011679046558000834993,0.0035733734401812390288
6.8067074819772299676,0.0035411820737900326014,0.0047255463736711805431
6.8157566931334683247,0.00085080640213954894079,0.0036348265455074411576
6.8322420579826381726,0.00049423691190117978716,0.0063100287946253504068
6.8394081356958729145,0.00089959273687346985073,0.0048940787982932046005
6.8503884243561046219,0.00035898919036142615431,0.0085095540861023291623
6.8602194012661508182,0.00075189013257102583869,0.0035913068597761715374
6.867428760640020613,0.00067690119505143652584,0.004547689933673692772
6.8777354430160899668,0.10348027594943381979,0.0023954016391332061224
6.8874884610198048307,0.0013361965368705410774,0.003544712538856820052
6.8973233367647059922,0.091962829154025177436,0.002350893386132548845
6.9078612410887902939,0.00036714726314591056592,0.0024227367100316649605
6.9165133329808909934,0.00044553633537290117383,0.0025126021374129786298
6.9354227210900933898,0.00014261699775226305753,0.0016314207441128695912
6.9653586915770144827,0.0005350140260412159475,0.0082486843937963523488
6.9955203257151712393,0.00055566993893671630909,0.0018420293917942801975
7.0196469547414794832,0.0052281337797957967706,0.0026470796779800606462
7.0277234296484909493,0.00028505112927364818819,0.0027176432150393540002
7.0475996262804949666,0.0002002633941353696898,0.0024255326500353811998
7.0755960770738752785,0.00050296656956127312656,0.002960022108010935786
7.0955913629504241413,0.00042492675645990497357,0.0026967914631618595915
7.2599999999999997868,0.026901832170815591361,0.0028588353418191330031
7.2973665176418114342,0.00016023502739612364531,0.0022419122602810540729
7.4098089498054378055,0.00031865081818771567868,0.0018533667497895719642
7.5188994828373258983,0.00059109875905678105085,0.0015331444198211027514
##$MNOVA/PEAK_DATA_TABLE=	(T,F,A,ST,SP,APT,APC)
$$ Complementary to PEAK TABLE
$$ T: Type
$$ F: Flags
$$ A: Annotation
$$ ST: Shape Type
$$ SP: Shape Parameter
$$ APT: Attached Peaks Type
$$ APC: Attached Peaks Count
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.40000000000000007772,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,-0.87438130332866115246,0,0
Compound,Artifact|Weak,,1,1.3999783912151928522,0,0
Compound,None,,1,0.26991520292574733286,0,0
Compound,Artifact|Weak,,1,-0.80000000000000004441,0,0
Compound,None,,1,0.31270608446781972267,0,0
Compound,None,,1,-0.25796494916199252945,0,0
Artifact,Artifact|Weak,,1,0.81397988960324108021,0,0
Artifact,Artifact|Weak,,1,0.77023170287321829353,0,0
Artifact,Artifact|Weak,,1,0.80000000000000004441,0,0
Artifact,Artifact|Weak,,1,-0.20122579789598940558,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.47795597871487216501,0,0
Impurity,Artifact|Weak,,1,0.80939366574263837961,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.056859985187821225627,0,0
Artifact,Artifact|Weak,,1,1.0082361397312229467,0,0
Artifact,Artifact|Weak,,1,-0.64393080926326895508,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,1.1960188244737726126,0,0
Artifact,Artifact|Weak,,1,-0.1609179025339516067,0,0
Artifact,Artifact|Weak,,1,-0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,-0.1025324362506410264,0,0
Solvent,2ry Solvent,,1,0.4249278376020949044,0,0
Compound,None,,1,1.9877660485925847667,0,0
Solvent,2ry Solvent,,1,-0.11346797260952126707,0,0
Artifact,Artifact|Weak,,1,0.16969352080969482555,0,0
Compound,None,,1,-0.88005187115385097307,0,0
Solvent,2ry Solvent,,1,-1,0,0
Compound,None,,1,0.062854723904116782673,0,0
Compound,None,,1,0.40323464215953619405,0,0
Compound,None,,1,-0.19235590206470437602,0,0
Compound,None,,1,0.75695884568331572861,0,0
Compound,None,,1,0.23102517128613253572,0,0
Compound,None,,1,0.07793596163392477183,0,0
Compound,None,,1,-0.58454259508777273169,0,0
Compound,None,,1,-0.22677257564618949481,0,0
Compound,None,,1,-0.51102984335599233034,0,0
Compound,None,,1,-0.0021786260327402856563,0,0
Compound,None,,1,0.02542751983102134461,0,0
Compound,None,,1,0.14007327563663574121,0,0
Compound,Artifact|Weak,,1,0.88586636789450146079,0,0
Compound,None,,1,0.16304993766190856164,0,0
Artifact,Artifact|Weak,,1,0.98062205420416326263,0,0
Compound,None,,1,0.014945365677352249328,0,0
Artifact,Artifact|Weak,,1,1.7727437636494116635,0,0
Artifact,Artifact|Weak,,1,-0.16976126043328332305,0,0
Compound,None,,1,0.4540115805132682314,0,0
Compound,None,,1,0.20205606004384674135,0,0
Compound,None,,1,-0.40000000000000007772,0,0
Compound,None,,1,-0.59464697279934264351,0,0
Compound,None,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,-0.7913053523988711202,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.10874169524264648556,0,0
Impurity,Artifact|Weak,,1,0.33138600573366938651,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,-0.7207897848844601052,0,0
Impurity,Artifact|Weak,,1,1.9730310648641062876,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.41663477408758708975,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,1.5999999999999998668,0,0
Compound,None,,1,0.77268865275240283808,0,0
Compound,None,,1,0.75621592180865804256,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.88154493413425394355,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.3808353872018799269,0,0
Artifact,Artifact|Weak,,1,0.16293338895328779437,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.62180305359072973737,0,0
Impurity,Artifact|Weak,,1,0.73029830743532198056,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,0.9305603912978819281,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.65223945339899103146,0,0
Compound,Artifact|Weak,,1,0.67144327833073336187,0,0
Compound,None,,1,0.47539819168829738905,0,0
Compound,None,,1,-1,0,0
Compound,None,,1,0.45960377068364249853,0,0
Compound,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.31068763889231459929,0,0
Artifact,Artifact|Weak,,1,0.28967781126727604191,0,0
Artifact,Artifact|Weak,,1,-0.68331711338303380288,0,0
Artifact,Artifact|Weak,,1,-0.97270579217780106518,0,0
Impurity,Artifact|Weak,,1,5.5511151231257827021e-17,0,0
Artifact,Artifact|Weak,,1,-0.99450909671695275627,0,0
Impurity,Artifact|Weak,,1,0.41941450174311667443,0,0
Impurity,Artifact|Weak,,1,0.07638283641007115321,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.80000000000000004441,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.01320733612580480415,0,0
Impurity,Artifact|Weak,,1,-0.36052490036296386267,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,0.78848088505532420989,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.1377780104752601709,0,0
Impurity,Artifact|Weak,,1,1.9876371426189518576,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,1.984666605590368782,0,0
Artifact,Artifact|Weak,,1,-0.83383094465235174653,0,0
Artifact,Artifact|Weak,,1,-0.40891471507244020467,0,0
Artifact,Artifact|Weak,,1,0.74422068061213286772,0,0
Artifact,Artifact|Weak,,1,-0.96945429882576261704,0,0
Artifact,Artifact|Weak,,1,-0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,1.1786593521896342462,0,0
Compound,None,,1,-0.073623023322344355313,0,0
Compound,None,,1,0.85923459448641503755,0,0
Artifact,Artifact|Weak,,1,1.8558557164797915284,0,0
Artifact,Artifact|Weak,,1,-0.74595638372325023813,0,0
Artifact,Artifact|Weak,,1,0.19999260952765840482,0,0
Artifact,Artifact|Weak,,1,0.37675919478931951812,0,0
Impurity,Artifact|Weak,,1,0.99447266216061502853,0,0
Impurity,None,,1,1.2373396979320425704,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,0.0064727521258877776522,0,0
Impurity,Artifact|Weak,,1,1.081352868496617825,0,0
Impurity,Artifact|Weak,,1,0.7928157959968998858,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.6322066807295050328,0,0
Impurity,Artifact|Weak,,1,1.2535920945696195083,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,0.053322985896374575088,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.72223553446062271899,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.18373865201427411198,0,0
Impurity,Artifact|Weak,,1,-0.0064160070853722765694,0,0
Impurity,Artifact|Weak,,1,0.79073571996777491933,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.079425854485496355517,0,0
Compound,None,,1,1.1999999999999999556,0,0
Compound,None,,1,1.5180345949751574697,0,0
Compound,None,,1,1.5588355288126907183,0,0
Compound,None,,1,1.3535607361580681562,0,0
Compound,Artifact|Weak,,1,1.1807893435508005631,0,0
Compound,None,,1,1,0,0
Compound,None,,1,1.3803415628582709207,0,0
Compound,Artifact|Weak,,1,0.37262995713664920361,0,0
Impurity,None,,1,0.5248371000329070668,0,0
Compound,Artifact|Weak,,1,0.70835719852520295792,0,0
Compound,Artifact|Weak,,1,-0.80000000000000004441,0,0
Compound,Artifact|Weak,,1,-0.21417964873561856631,0,0
Compound,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Weak,,1,0.62764061262894832449,0,0
Compound,Artifact|Weak,,1,1.8518708839827344725,0,0
Compound,None,,1,0.52625242823184037455,0,0
Compound,None,,1,1.8824490296970097791,0,0
Compound,None,,1,0.46631758413479246217,0,0
Compound,Artifact|Weak,,1,1.5344158203235238602,0,0
Compound,Artifact|Weak,,1,0.25046957116483237193,0,0
Compound,Artifact|Weak,,1,1.0853979366775881044,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.86221548264498393266,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.6981809735228616809,0,0
Compound,None,,1,0.6988194818108163231,0,0
Compound,Artifact|Weak,,1,1.9996693833910774707,0,0
Impurity,Artifact|Weak,,1,1.1140394771045158961,0,0
Impurity,Artifact|Weak,,1,0.28821402149909414181,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.24247052911123445629,0,0
Solvent,None,,1,0.50342057564344511178,0,0
Impurity,Artifact|Weak,,1,-0.10363851590383336976,0,0
Impurity,Artifact|Weak,,1,1.5999999999999998668,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,1,0,0
##END=	
##END=	
