##TITLE = 1-propanol
##JCAMP-DX = 5.00 $$ ACD/Spectrum Manager v 3.5
##$DATA TYPE = NMR SPECTRUM
##$DATA CLASS = XYDATA
##$ORIGIN=
##$OWNER=
##$DATE= 97/07/24
##$SPECTROMETER/DATA SYSTEM = BRUKER ASPECT 3000
##.OBSERVE FREQUENCY = 200.132
##.OBSERVE NUCLEUS = ^1H
##.ACQUISITION MODE = SIMULTANEOUS
##NPOINTS = 8192
##FIRSTX = 2446.067871
##LASTX = -144.591064
##MAXX = 2446.067871
##MINX = -144.591064
##MAXY = 15566242.000000
##MINY = -920188.312500
##XFACTOR = 1.000000
##YFACTOR = 486.445068
##FIRSTY = -7125.877441
##DELTAX = -0.316281
##XUNITS = HZ
##$YUNITS = ARBITRARY UNITS
##$ASSIGNMENT TYPE= CHIME
##$CHIME TARGET= PROPSTRUCT
##PEAK ASSIGNMENT= (XYWA)
(0.96, -1, 0.06, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=2 or 
atomno=3 or atomno=4; spacefill 125; color atoms red; select atomno=6 or atomno=7; spacefill 100; color atoms green>)
(1.61, -1, 0.12, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=6 or 
atomno=7; spacefill 125; color atoms red; select atomno=2 or atomno=3 or atomno=4 or atomno=9 or atomno=10; spacefill 100; color atoms green>)
(2.98, -1, 0.08, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=12; 
spacefill 125; color atoms red>)
(3.60, -1, 0.06, <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk; select atomno=9 
or atomno=10; spacefill 125; color atoms red; select atomno=6 or atomno=7; spacefill 100; color atoms green>)
(6,-1,6,  <select *; spacefill off; wireframe on; wireframe 40; color atoms cpk>)
##XYDATA = (X++(Y..Y))
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