##TITLE=	(1) cd1120


(2)  #
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	1
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	cd1120
##$MNOVA/LINK_BLOCK_TYPE=	PAGE
##TITLE=	 #
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	2
##BLOCKS=	1    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	cd1120
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ Molecule
##$MNOVA/ITEM/POLYGON=	(XY..XY)
5747.94,6211.07
7468.94,6211.07
7468.94,6636.41
5747.94,6636.41
5747.94,6211.07
##$MNOVA/ITEM/Z=	1
##$MNOVA/ITEM/ANGLE=	0
##TITLE=	
##JCAMP-CS=	3.7	$$ MestReNova 14.1.0-24037
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	cd1120
##BLOCK_ID=	3
##NAMES=	
##ATOMLIST=	
$$ AN	AS	NH
	1	C	1
	2	C	 
	3	C	 
	4	C	1
	5	C	 
	6	C	1
	7	O	 
	8	C	3
	9	C	3
	10	O	 
	11	C	 
	12	O	 
	13	C	2
	14	C	2
	15	C	2
	16	C	2
	17	C	2
	18	C	2
	19	C	2
	20	C	2
	21	C	2
	22	C	2
	23	C	2
	24	C	2
	25	C	2
	26	C	3
##BONDLIST=	
$$ AN1	AN2	BT
	1	2	D
	2	3	S
	3	4	D
	4	5	S
	5	6	D
	1	6	S
	3	7	S
	7	8	S
	5	9	S
	2	10	S
	10	11	S
	11	12	D
	11	13	S
	13	14	S
	14	15	S
	15	16	S
	16	17	S
	17	18	S
	18	19	S
	19	20	S
	20	21	S
	21	22	S
	22	23	S
	23	24	S
	24	25	S
	25	26	S
##MAXRASTER=	32768
##XY_RASTER=	
$$ AN	X	Y	Z
	1	-31077	4718	0
	2	-30232	5206	0
	3	-30232	6182	0
	4	-31077	6670	0
	5	-31922	6182	0
	6	-31922	5206	0
	7	-29386	6670	0
	8	-29386	7646	0
	9	-32768	6670	0
	10	-29386	4718	0
	11	-28541	5206	0
	12	-28541	6182	0
	13	-27696	4718	0
	14	-26851	5206	0
	15	-26005	4718	0
	16	-25160	5206	0
	17	-24315	4718	0
	18	-23469	5206	0
	19	-22624	4718	0
	20	-21779	5206	0
	21	-20934	4718	0
	22	-20088	5206	0
	23	-19243	4718	0
	24	-18398	5206	0
	25	-17553	4718	0
	26	-16707	5206	0
##END=	
##END=	
##TITLE=	cd1120

##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	4
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	cd1120
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ NMR Spectrum
##$MNOVA/ITEM/POLYGON=	(XY..XY)
5321,5835
8722,5835
8722,8208
5321,8208
5321,5835
##$MNOVA/ITEM/Z=	0
##$MNOVA/ITEM/ANGLE=	0
##TITLE=	cd1120
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	5
##DATA TYPE=	NMR SPECTRUM
##DATA CLASS=	XYDATA
##NUMDIM=	1
##ORIGIN=	JEOL
##OWNER=	cd1120
##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
##.SOLVENT NAME=	CHLOROFORM-D
##.PULSE SEQUENCE=	proton.jxp
##LONGDATE=	2021/03/16 15:52:08.000
##.ACQUISITIONMODE=	SIMULTANEOUS
##$ORIGINAL FORMAT=	JEOL Delta
##$MNOVA/SCALES_VERSION=	8
##$PARAMETER FILE=	(datafile, ASCII, //icnas3.cc.ic.ac.uk/cd1120/Year%201/Practical%20Chemistry/Synthesis%201.2/cd1120_PROTON_FT-1-1.jdf, 0)
$$ 
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-1119c194R1j16q5N7Q7P2j72j4L6O0l3J15Q0o9n7o6R0K1p5l3j5k3rm0j6J01p4K3j08J16R0
-1127c160j16rR5m5R0o2N1J2j05O7M8j05Q1Lk4P1KMj19j61J21N8R3p5J0P4m0KJ04L4r2L0n4
-1134c117q7J3K8j23q3J4K5O8R6o3q8Rl4k0RL0q3K4J05j15K9M9m3n3n7K6J7k3J6J2Lm0J28
-1142c328K5j4J82m9j8j2QOj33J14qjK6m3L5o1k2j24J22Oj22J0L5Q8K6j01M0o3J5l2k9L9R9
-1149c284o8j2L5k9r8K53L3q3q8O5k1%N3J46j6j1r3J3rk4j69J08m2M3j01QM8N7l4m1k2J04
-1156c279K4j05J71N7KOj02j0j9J2L4j87J50n3J06L4j7M3
-1161c133
##$OBSERVED INTEGRALS=	(X Y Z)
(6.4290550281999445659, 6.4745798461257795253, 0.92178969048765224681)
(6.2754087677002514667, 6.3562153195186095189, 1.8687349041847332032)
(3.3447486137246320581, 3.3857209498578830775, 2.9698427084394221076)
(2.095340790335448844, 2.1541867869700945803, 1.9553486871463139352)
(1.8940255386906192925, 1.9200416635185653114, 2.9728241933818382314)
(1.7199652749607805546, 1.7521757152239554323, 19.060637597615528449)
(1.2764522897986299022, 1.3737030421316707152, 2.0297452705982466092)
(0.42535334899863530556, 0.47862446174157635692, 3.017657553549579319)
(0.95001186636224355109, 1.0262019462155158589, 2.0176139001350721358)
(0.83046157846238899403, 0.834797599267047441, 4.1858054944616114312)
##$OBSERVED MULTIPLETS=	
(1, 6.2588946041154258637, 6.3634594135200597265, 6.3230015789550417793, 1, 1, d, A, 10.314)
(2, 6.4200986852809025507, 6.4832732576295368787, 6.4532008392148227927, 1.2289258420534010519, 1, d, B, 7.96338)
(3, 3.346328975490495683, 3.3877192125464974382, 3.365478367975120122, 3.539295535862000186, 4, s, C)
(4, 2.0833134557834083189, 2.1655221303681790879, 2.1249226651717711967, 2.7494827986176808565, 3, t, D, 7.4707 7.4707)
(5, 1.8848124096944165462, 1.9298378912077629455, 1.9078428753585936484, 4.2255155703251210397, 4, s, E)
(6, 1.7166299671867411014, 1.7616554487000875007, 1.7390032099406917965, 10.196190315414590088, 10, s, F)
(7, 1.2830167310615099296, 1.3646533565221059536, 1.3238511271015354076, 3.0891670034681872892, 3, p, G, 7.50485 7.50485 7.659 7.659)
(8, 0.93006242144506257041, 1.0483101908529064428, 0.96905659007313305064, 2.0292815418619847279, 2, m, H)
(9, 0.80936005624397522329, 0.85438553775732162254, 0.83224394042267080263, 19.777340311330934952, 20, s, I)
(10, 0.41121386581764096668, 0.49056229478153362544, 0.45124394174197357543, 3.9174134746634354798, 4, t, J, 6.73859 6.73859)
##$OBSERVED MULTIPLETS PEAKS=	
(1, 6.3359010544650073982, 0.079754427381547601805)
(1, 6.3101021034450770486, 0.012807751212000130156)
(2, 6.4631604421551642758, 0.07129979791394754074)
(2, 6.4432412362744804213, 0.099781278301900325212)
(3, 3.365478367975120122, 0.62938753161239813227)
(4, 2.1435955921110960709, 0.071406766747603753198)
(4, 2.1249501681085369853, 0.13481572806115807439)
(4, 2.1062222352956805338, 0.076613584531114498066)
(5, 1.9252032945291410737, 0.0002397269782810663183)
(5, 1.9078428753585936484, 0.40761824261427531679)
(5, 1.8894413017389217746, 0.0037559027999248947513)
(6, 1.74943959217857814, 0.00015846783400917015543)
(6, 1.7390032099406917965, 1.8824032914332158306)
(6, 1.7288458237082511282, 0.01888614708145655921)
(6, 1.7187554886751608141, 0.00096619776093421561383)
(7, 1.3610053018651715462, 0.012919819317905730308)
(7, 1.3426189366247203161, 0.040824246016808334037)
(7, 1.3240816162516848564, 0.060538991716055867709)
(7, 1.3053536903386047108, 0.046876203314370694375)
(7, 1.2861960904274964967, 0.017598447374617007255)
(8, 1.0247677885932464648, 0.0044162907461687515853)
(8, 1.0026650885943519942, 0.0030545487517724249395)
(8, 0.9865794754514801701, 0.030499087751906402838)
(8, 0.96836311368146965606, 0.016746789932880166984)
(8, 0.95222718108644910373, 0.0058885811450683491972)
(9, 0.84194298664299194179, 0.094533770113990320261)
(9, 0.83224394042267080263, 0.95961124959743115959)
(10, 0.46791069745671676205, 0.075703083049398503523)
(10, 0.45162120697082780429, 0.19777745517546169163)
(10, 0.43419992079837599341, 0.083479824989552364745)
##END=	
##TITLE=	cd1120
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	6
##DATA TYPE=	NMR PEAK TABLE
##DATA CLASS=	PEAK TABLE
##CROSS REFERENCE=	NMR SPECTRUM: BLOCK_ID=5                                     
##.OBSERVE FREQUENCY=	399.79071365325000897
##.OBSERVE NUCLEUS=	^1H
##NPOINTS=	142
##FIRSTX=	-0.35766653395271003069
##LASTX=	7.1010602179876451956
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	0.00015617574943141079727
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
-0.35766653395271003069,0.00015617574943141079727,0.0041511687038538495551
0.27641808317737587286,0.00048053006785356115749,0.0049181773497255680885
0.29384819286428009999,0.0011869566668728942244,0.0040043438692303695917
0.31028231945305068118,0.00048436339590704707934,0.0057198324649701710876
0.43419992079837599341,0.083479824989552364745,0.0050710158120851316771
0.45162120697082780429,0.19777745517546169163,0.0042227641985988191922
0.46791069745671676205,0.075703083049398503523,0.0057198324649701710876
0.5857783168653307726,0.0003512336432337970671,0.010504122948151286068
0.60101759116865682842,0.00046506460759597760459,0.0034646813491401176957
0.60502325311573135203,0.0011367446253855422594,0.0060347486530279905587
0.61792642455891155784,0.00036647066801982276004,0.010466834502910337887
0.67837588638529977558,0.0010781752592039497637,0.041735151087124895686
0.71329243293442423646,0.00036003367969133977808,0.0093675153882539219374
0.80392505983279072268,0.0013100152034659581519,0.0051729253298021388163
0.83224394042267080263,0.95961124959743115959,0.0079165469833692193868
0.84194298664299194179,0.094533770113990320261,0.011591057391186595366
0.87245429872799007409,0.017797649792841829103,0.0097105903716216898647
0.89150843361996834346,0.0056194279299744478995,0.004239316906242519313
0.92426288039791659745,0.0068809942540805262359,0.0091445179304722110092
0.95222718108644910373,0.0058885811450683491972,0.0064902744324974760703
0.96836311368146965606,0.016746789932880166984,0.011673118581118418699
0.9865794754514801701,0.030499087751906402838,0.023492858418638261353
1.0026650885943519942,0.0030545487517724249395,0.0060505626371172580372
1.0247677885932464648,0.0044162907461687515853,0.0080906906132239084922
1.1434847948626634118,0.00032912208167525379724,0.011565824335125537287
1.1632034315427115523,0.00029699374773116822253,0.011187688790330264227
1.184898256015366691,0.00045447947716111442322,0.010158282848987723254
1.2042627979011237827,0.00053876283635203247278,0.0089833376161058010184
1.241492761845066406,0.00013383550807850963884,0.0053892546231141588015
1.2861960904274964967,0.017598447374617007255,0.0034416897773275260779
1.3053536903386047108,0.046876203314370694375,0.0069176026913657000586
1.3240816162516848564,0.060538991716055867709,0.0082685785433945606371
1.3426189366247203161,0.040824246016808334037,0.007371045420395822001
1.3610053018651715462,0.012919819317905730308,0.0052378354540914265
1.4030626687362737215,0.011179283485542118592,0.049332225266414647669
1.4808248692174206251,0.00044808696180675245237,0.0063338686522522898159
1.6020291225719571759,0.00031946330842962317783,0.0091116703961374549692
1.6199515002324151869,0.0005387194627322648352,0.0093386308930107179982
1.6334500035099186466,0.00072992183704326891926,0.0061741024406584193648
1.6441825533302372175,0.00037658809615118805187,0.004575734216618637662
1.650751236330435745,0.00018781381654877382669,0.001459308990244303746
1.6616146683130152972,0.003101309661491149193,0.0022864211458906292911
1.6740327294474608433,0.00020784023945682203547,0.0016493209216899842266
1.6802015363771662937,0.0004794299375482984028,0.0054339876068519553376
1.685966873940436539,0.0002770401021372428268,0.0017464305014007963038
1.6943914309802181606,0.00040696480428731540658,0.0027391793778532022921
1.6999985257321403864,0.0022869534380442935358,0.0040043438692303695917
1.7109710466427803244,0.00027523938413988801536,0.0025091114683578807573
1.7128153523450295737,0.00072901704731697140275,0.0016339555142254071334
1.7157688991337329831,0.0020458131402578865268,0.0067177627009853716974
1.7187554886751608141,0.00096619776093421561383,0.0033290058270365636972
1.7288458237082511282,0.01888614708145655921,0.0021561004083493979025
1.7390032099406917965,1.8824032914332158306,0.0022459306858852575925
1.74943959217857814,0.00015846783400917015543,0.010975359538267065104
1.7637767683480700676,0.00091069656089236923537,0.0013022291925658766726
1.7687101570361067893,0.00083297218464164937517,0.0055211943367530586999
1.7749322109083585097,0.0039512037988407118158,0.0029374487055742219341
1.7767988346648584397,0.0039593782402126036571,0.0012883282646587309542
1.787897947150242528,0.00038355313586752639568,0.0032641031402361672664
1.7912324162409103412,0.00024696822545718701567,0.0013362375413335898181
1.7997799151060465128,0.00012585294496109280084,0.035755275285512928829
1.8120129009657166552,0.00288926114879174082,0.0022890750269007561525
1.8141754213117562422,0.001546527384551574626,0.0018217220996375640529
1.827518610063637805,0.00052485770893359313775,0.010738257314192818648
1.834196212891076927,0.00065360912243938998952,0.0040608499570516723431
1.8894413017389217746,0.0037559027999248947513,0.00087035892211462966613
1.9078428753585936484,0.40761824261427531679,0.0049587231625555028627
1.9252032945291410737,0.0002397269782810663183,0.0020794461375045879964
1.945101365100247115,0.00090942640237396321287,0.0074221722477724261582
1.9621523228832495889,0.0017843330693438266138,0.0028836798435778166448
1.9645210320185244601,0.00073225973226413178761,0.0012931182426189353606
1.9813874665148456522,0.00066741187016564854518,0.0062925403659334390449
2.0114380910510796241,0.00013774403254538975135,0.0043903677592234905541
2.0200188279137161196,0.00027493835202821003804,0.0050910853533513052149
2.0308877612730560358,0.00015453178588740155725,0.0024886676122170105566
2.0573843499824913117,0.0010404683685205555563,0.0042714572084338832056
2.0643098703230289281,0.0022888302563671861049,0.0057198324649701710876
2.1062222352956805338,0.076613584531114498066,0.0037784656604949551188
2.1249501681085369853,0.13481572806115807439,0.0046198517325777531395
2.1435955921110960709,0.071406766747603753198,0.0041662673125858655857
2.1823730982130165046,0.00017906635200938040794,0.0032683815832990270253
2.2005755807411477853,0.00021737682377507332935,0.0067908706303148646047
2.2184765161543662515,0.00026889875369129177677,0.0051856600508823980436
2.255896855112308419,0.00036339112898478565222,0.0045688573640552572475
2.2648558530609448347,0.00035109521417244800431,0.0040713111473968032969
2.2745806881719321524,0.00035484968143450031563,0.0045961498808455040696
2.2836269523213514887,0.00064818051876635641474,0.0042578575005573432791
2.2936216837257972223,0.00015330095621952848453,0.0040441701828195239857
2.3019075190656659302,0.00027865617710868249325,0.0038172475908624103891
2.4307058740975810984,0.00012812887499506840205,0.0020322516295179587041
2.4467674745488383614,0.00015677741068702302448,0.0032104797785374688916
2.5274264010576219519,0.00027542129981980475713,0.058457315718069391419
3.0462749566850431115,0.00041827157358706652281,0.0042773118070731320703
3.1832097266771572919,0.0030164303458347177002,0.0034046421225277078565
3.2905496084784342514,0.00039150816910216791654,0.0022565188553267043203
3.3291323074503376134,0.00033109706440608195361,0.0035860803347513674211
3.3542896301148665827,0.0017612625636927782026,0.0022417451329175765336
3.359185827609186159,0.0089829893435364148446,0.0021127833926810023202
3.365478367975120122,0.62938753161239813227,0.0023992482124451782952
3.40492506694149899,0.00079693277425680946954,0.0044743837657820343182
3.412421118141913734,0.00013245009765809240862,0.0025885645989182208028
3.4254198768362473793,0.0049223451613998889589,0.002802655202457476815
3.4277798579309046723,0.0028004076670702974204,0.0019142647841587430869
3.4349865749533297077,0.0070875146781915849756,0.002867191132269778734
3.437365545985434423,0.0028373236782845523245,0.0018612647335999312967
3.4417213932718255798,0.0003293081338206699845,0.0050001398968106862755
3.445372154965680167,0.00034300738215255335362,0.002153025707459886931
3.4481411685763512232,0.00020679278530092034226,0.0017265802836375283066
3.4787762474280463643,0.00038377789148352791683,0.0040043438692303695917
3.5159272876333478308,0.0017304014421949901609,0.0034316359682671046701
3.544296400888794274,0.0029455325975532402338,0.0035693623328272540071
3.643087817217796065,0.00020861288029493091746,0.0031786929212521864048
4.1050145782231144409,0.00013881748686595543835,0.0043079703804334247216
4.2840033939646087191,0.00014850884528403519901,0.0041330755014200122252
6.0874290537848523286,0.00021893572022727421323,0.00943277306896670234
6.1080083510034333116,0.0002621001082994822034,0.0094256904436595245061
6.1405685149811448653,0.00038787880326787352444,0.010846892878581187308
6.2171432519913158998,0.00047983726063379204861,0.0091521272100247765685
6.2376316012741410688,0.00083589497071681747795,0.0054915052069052904676
6.2460517009945082378,0.0011177286260297646103,0.0080077654509582395226
6.2592406245559812916,0.0019535730192368210185,0.0061744972985101412299
6.2877103795986304391,0.025068292318901046895,0.0041861623610796056677
6.2900498435890153104,0.0087963157108079184643,0.00098200695022506822966
6.3101021034450770486,0.012807751212000130156,0.0026794031906670306813
6.3359010544650073982,0.079754427381547601805,0.0053644138054774461941
6.3597886635607681072,0.0010825857402196024677,0.0045803469809173810723
6.377889055884709002,0.0044699493056604916799,0.0057027155377279564741
6.4049589725593643053,0.0008143592593039813499,0.0189187055000010311
6.4282293788121762645,0.00040885654008163471859,0.0041553316726529688704
6.4432412362744804213,0.099781278301900325212,0.0028294893589110056524
6.4540269573390567359,0.0012308978960968229403,0.0055449821980060850016
6.4631604421551642758,0.07129979791394754074,0.0037712638041377771585
6.479486758595589535,0.0015359359289349790601,0.0094382261026571701718
6.5328930555373423417,0.00070564107027499363076,0.0099851049574234285872
6.5545810790893046516,0.00023257080247374625737,0.009664146177835411522
6.5775590716411791448,0.00053518570276562312665,0.0032147209494716535473
6.5856758035469038504,0.0044476393062712737264,0.0037456698924540738314
6.6129105293660952469,0.00019751084765911848615,0.0024516391036104303799
6.6410316530055615303,0.00049505935969100522964,0.0040319555021568424108
6.6610076346677526971,0.0004202714187502995199,0.0053627347069166433555
6.9916977661253048026,0.00018882604581861440313,0.00241250996459013798
7.1010602179876451956,0.00049919927367890189022,0.0027084313906622246512
##$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
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,-0.4349885662075602677,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.072689515817504074535,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.3668758667952671804,0,0
Compound,None,,1,0.91649806134785027911,0,0
Compound,None,,1,0.29776244665257817212,0,0
Compound,None,,1,0.41338475020927339942,0,0
Artifact,Artifact|Weak,,1,1.8599320997546080481,0,0
Artifact,Artifact|Weak,,1,1.3508967411966992245,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.40000000000000007772,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.4320586084399393734,0,0
Artifact,Artifact|Weak,,1,0.018138412679360588209,0,0
Artifact,Artifact|Weak,,1,0.37772597138667607375,0,0
Artifact,Artifact|Weak,,1,0.55971663504206448092,0,0
Compound,None,,1,0.52604957491675330417,0,0
Compound,None,,1,1.1523632077806003071,0,0
Compound,None,,1,-0.17084917202614915976,0,0
Artifact,Artifact|Weak,,1,1.1175422944784489943,0,0
Compound,None,,1,1.8441835753143769328,0,0
Compound,Artifact|Weak,,1,0.94490491567697798558,0,0
Compound,None,,1,1.4295821187486772441,0,0
Compound,None,,1,1.3999999999999999112,0,0
Compound,Artifact|Weak,,1,-0.41040806153832637415,0,0
Compound,Artifact|Weak,,1,1.9126522806254957487,0,0
Artifact,Artifact|Weak,,1,-0.32774574707554893216,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.78720162659321690768,0,0
Artifact,Artifact|Weak,,1,0.52429881215486162649,0,0
Impurity,Artifact|Weak,,1,-0.29338349575092004251,0,0
Artifact,Artifact|Weak,,1,-0.80838631798078741664,0,0
Compound,None,,1,-0.013564526911096358441,0,0
Compound,None,,1,0.10419930553205160317,0,0
Compound,None,,1,-0.086766104424884693547,0,0
Compound,None,,1,0.056086490309219583228,0,0
Compound,None,,1,0.60000000000000008882,0,0
Compound,None,,1,0.49815121801875983376,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.5747241243845002678,0,0
Impurity,Artifact|Weak,,1,-0.31296586867605530324,0,0
Impurity,Artifact|Weak,,1,0.65339860666004567769,0,0
Impurity,Artifact|Weak,,1,1.8505370516458279351,0,0
Impurity,Artifact|Weak,,1,-0.89494746276886827374,0,0
Artifact,Artifact|Weak,,1,0,0,0
Impurity,Artifact|Weak,,1,-0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,1.7113306838008996991,0,0
Impurity,Artifact|Weak,,1,-0.4320600362440396025,0,0
Artifact,Artifact|Weak,,1,-0.56986823133453534673,0,0
Artifact,Artifact|Weak,,1,1.1738804521715309193,0,0
Artifact,Artifact|Weak,,1,0.82917976376433055741,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-0.13567457318804693189,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Weak,,1,-0.40000000000000007772,0,0
Compound,Artifact|Weak,,1,0.9904351241872820788,0,0
Compound,None,,1,0.26403551271335190531,0,0
Compound,Artifact|Weak,,1,1.9004378499833602945,0,0
Artifact,Artifact|Weak,,1,1.8487624358580538875,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,0.093121814679900327683,0,0
Artifact,Artifact|Weak,,1,1.3011473558033654907,0,0
Artifact,Artifact|Weak,,1,0.0047010508700052622971,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.5999999999999998668,0,0
Impurity,Artifact|Weak,,1,0.60000000000000008882,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,-0.4723118398494982606,0,0
Artifact,Artifact|Weak,,1,1.8202453161726668274,0,0
Compound,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,1.1719296720587626393,0,0
Compound,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.72768560399423809493,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.42805592929197633367,0,0
Artifact,Artifact|Weak,,1,0.93257367459117879172,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.81071795214228981052,0,0
Artifact,Artifact|Weak,,1,-0.98945046905644806756,0,0
Artifact,Artifact|Weak,,1,1.5999999999999998668,0,0
Artifact,Artifact|Weak,,1,-0.30920755816941253302,0,0
Impurity,Artifact|Weak,,1,1.2799084848311848006,0,0
Impurity,Artifact|Weak,,1,0.40762792562175742539,0,0
Compound,None,,1,0.40000000000000007772,0,0
Compound,None,,1,0.60177339071783686464,0,0
Compound,None,,1,0.84247237641356309545,0,0
Artifact,Artifact|Weak,,1,0.93443091189476601421,0,0
Artifact,Artifact|Weak,,1,1.6610653641042660844,0,0
Artifact,Artifact|Weak,,1,0.13015072520340087436,0,0
Impurity,Artifact|Weak,,1,0.39366003272704835902,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,0.67485187249068778748,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.13313859378769071773,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.3999999999999999112,0,0
Artifact,Artifact|Weak,,1,0.16517976662101746532,0,0
Artifact,Artifact|Weak,,1,-0.27409461877324436951,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.49060086682151687887,0,0
Impurity,Artifact|Weak,,1,0.80000000000000004441,0,0
Artifact,Artifact|Weak,,1,1.29861416408646968,0,0
Compound,Artifact|Weak,,1,1.6717967189377047621,0,0
Compound,Artifact|Weak,,1,0.87585791651466116114,0,0
Compound,None,,1,0.39815657107400997949,0,0
Artifact,Artifact|Weak,,1,0.35369698137472477262,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.96045613307323218777,0,0
Impurity,Artifact|Weak,,1,0.72304736254901980086,0,0
Impurity,None,,1,0.70987197475648755596,0,0
Impurity,Artifact|Weak,,1,1.5136826457638643539,0,0
Impurity,Artifact|Weak,,1,-0.96254135267695395406,0,0
Impurity,Artifact|Weak,,1,0,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,0.60000000000000008882,0,0
Impurity,Artifact|Weak,,1,0,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.8002052057703206156,0,0
Impurity,Artifact|Weak,,1,-0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,1.4441444632239730517,0,0
Artifact,Artifact|Weak,,1,1.3333098776808387509,0,0
Impurity,Artifact|Weak,,1,0.66804228742190385759,0,0
Impurity,Artifact|Weak,,1,1,0,0
Impurity,Artifact|Weak,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,0.24426825815841704537,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.046842819265834660658,0,0
Impurity,Artifact|Weak,,1,0.61751603967456247801,0,0
Compound,Artifact|Weak,,1,0.80000000000000004441,0,0
Compound,None,,1,0.45371774981444812358,0,0
Compound,Artifact|Weak,,1,-0.60000000000000008882,0,0
Compound,None,,1,-0.065879976595324490907,0,0
Compound,None,,1,1.0216503429631900168,0,0
Compound,Artifact|Weak,,1,1.3583510453914511285,0,0
Impurity,Artifact|Weak,,1,0.39091831648010094691,0,0
Impurity,Artifact|Weak,,1,0.80000000000000004441,0,0
Compound,Artifact|Weak,,1,-0.40000000000000007772,0,0
Compound,None,,1,0.039538648390349068196,0,0
Compound,Artifact|Weak,,1,0.2216952775175442536,0,0
Compound,None,,1,1.4814103898020449801,0,0
Compound,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,1.8942556209556455915,0,0
Impurity,Artifact|Weak,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,1.3999999999999999112,0,0
Impurity,Artifact|Weak,,1,1.9595409992403372001,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.87585967087651117602,0,0
Impurity,Artifact|Weak,,1,0.2000000000000000111,0,0
Impurity,Artifact|Weak,,1,1.135169292750911163,0,0
Impurity,Artifact|Weak,,1,0.82096371031946180352,0,0
##END=	
##END=	
##END=	
