##TITLE=	 #
##JCAMP-DX=	6.0	$$ MestReNova 14.3.3-33362
##DATA TYPE=	LINK
##BLOCKS=	1    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	Lenovo
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##TITLE=	P NMR calculated spectrum
##JCAMP-CS=	3.7	$$ MestReNova 14.3.3-33362
##BLOCK_ID=	1
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	Lenovo
##$MNOVA/METADATA=	(ITEM,BASE64)
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##NAMES=	P NMR calculated spectrum
##ATOMLIST=	
$$ AN	AS	NH
	1	C	3
	2	C	2
	3	C	2
	4	C	2
	5	O	 
	6	P	 
	7	C	3
	8	F	 
	9	O	 
##BONDLIST=	
$$ AN1	AN2	BT
	1	2	S
	2	3	S
	3	4	S
	4	5	S
	5	6	S
	6	7	S
	6	8	S
	6	9	D
##MAXRASTER=	32768
##XY_RASTER=	
$$ AN	X	Y	Z
	1	20326	14570	0
	2	22814	14570	0
	3	24043	16728	0
	4	26562	16728	0
	5	27791	18887	0
	6	30279	18887	0
	7	30279	16398	0
	8	30279	21375	0
	9	32768	18887	0
##END=		$$ JCAMP-CS
##END=		$$ LINK