mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
127 lines
3.5 KiB
XML
127 lines
3.5 KiB
XML
<?xml version="1.0" encoding="UTF-8" ?>
|
|
<!DOCTYPE CDXML SYSTEM "http://www.cambridgesoft.com/xml/cdxml.dtd" >
|
|
<CDXML
|
|
CreationProgram="ChemDraw 21.0.0.28"
|
|
Name="chemdraw_template2.cdxml"
|
|
BoundingBox="54.16 108.31 1053.80 719.64"
|
|
WindowPosition="0 0"
|
|
WindowSize="0 0"
|
|
FractionalWidths="yes"
|
|
InterpretChemically="yes"
|
|
ShowAtomQuery="yes"
|
|
ShowAtomStereo="no"
|
|
ShowAtomEnhancedStereo="yes"
|
|
ShowAtomNumber="no"
|
|
ShowResidueID="no"
|
|
ShowBondQuery="yes"
|
|
ShowBondRxn="yes"
|
|
ShowBondStereo="no"
|
|
ShowTerminalCarbonLabels="no"
|
|
ShowNonTerminalCarbonLabels="no"
|
|
HideImplicitHydrogens="no"
|
|
LabelFont="21"
|
|
LabelSize="14.45"
|
|
LabelFace="96"
|
|
CaptionFont="21"
|
|
CaptionSize="14.45"
|
|
HashSpacing="3.62"
|
|
MarginWidth="2.32"
|
|
LineWidth="1.77"
|
|
BoldWidth="3.67"
|
|
BondLength="20.83"
|
|
BondSpacing="18"
|
|
ChainAngle="120"
|
|
LabelJustification="Auto"
|
|
CaptionJustification="Left"
|
|
AminoAcidTermini="HOH"
|
|
ShowSequenceTermini="yes"
|
|
ShowSequenceBonds="yes"
|
|
ShowSequenceUnlinkedBranches="no"
|
|
ResidueWrapCount="40"
|
|
ResidueBlockCount="10"
|
|
ResidueZigZag="yes"
|
|
NumberResidueBlocks="no"
|
|
PrintMargins="36 36 36 36"
|
|
MacPrintInfo="0003000000480048000000000300024CFFF4FFF4030C02580367052803FC0002000000480048000000000300024C000100000064000000010001010100000001270F000100010000000000000000000000000002001901900000000000400000000000000000000100000000000000000000000000000000"
|
|
ChemPropName=""
|
|
ChemPropFormula="Chemical Formula: "
|
|
ChemPropExactMass="Exact Mass: "
|
|
ChemPropMolWt="Molecular Weight: "
|
|
ChemPropMOverZ="m/z: "
|
|
ChemPropAnalysis="Elemental Analysis: "
|
|
ChemPropBoilingPt="Boiling Point: "
|
|
ChemPropMeltingPt="Melting Point: "
|
|
ChemPropCritTemp="Critical Temp: "
|
|
ChemPropCritPres="Critical Pres: "
|
|
ChemPropCritVol="Critical Vol: "
|
|
ChemPropGibbs="Gibbs Energy: "
|
|
ChemPropLogP="Log P: "
|
|
ChemPropMR="MR: "
|
|
ChemPropHenry="Henry's Law: "
|
|
ChemPropEForm="Heat of Form: "
|
|
ChemProptPSA="tPSA: "
|
|
ChemPropID=""
|
|
ChemPropFragmentLabel=""
|
|
color="0"
|
|
bgcolor="1"
|
|
RxnAutonumberStart="1"
|
|
RxnAutonumberConditions="no"
|
|
RxnAutonumberStyle="Roman"
|
|
RxnAutonumberFormat="(#)"
|
|
><colortable>
|
|
<color r="1" g="1" b="1"/>
|
|
<color r="0" g="0" b="0"/>
|
|
<color r="1" g="0" b="0"/>
|
|
<color r="1" g="1" b="0"/>
|
|
<color r="0" g="1" b="0"/>
|
|
<color r="0" g="1" b="1"/>
|
|
<color r="0" g="0" b="1"/>
|
|
<color r="1" g="0" b="1"/>
|
|
<color r="0.0471" g="0.7059" b="0.0706"/>
|
|
<color r="0" g="0" b="0.5020"/>
|
|
<color r="0.9804" g="0.8353" b="0.3608"/>
|
|
<color r="0.6471" g="0.3804" b="0.8157"/>
|
|
<color r="0.2353" g="0.6157" b="1"/>
|
|
<color r="1" g="0.3059" b="0.3255"/>
|
|
<color r="0.5020" g="0" b="0"/>
|
|
<color r="0.8000" g="0.8000" b="0.8000"/>
|
|
</colortable><fonttable>
|
|
<font id="21" charset="x-mac-roman" name="Helvetica"/>
|
|
<font id="67" charset="Unknown" name="Apple Symbols"/>
|
|
<font id="368" charset="x-mac-roman" name="Helvetica Oblique"/>
|
|
<font id="371" charset="x-mac-roman" name="Helvetica Bold"/>
|
|
</fonttable><page
|
|
id="80114"
|
|
BoundingBox="0 0 1080 720"
|
|
HeaderPosition="36"
|
|
FooterPosition="36"
|
|
PrintTrimMarks="yes"
|
|
HeightPages="1"
|
|
WidthPages="2"
|
|
><fragment
|
|
id="33855"
|
|
BoundingBox="898.89 108.31 1053.80 245.19"
|
|
Z="1484"
|
|
><n
|
|
id="33956"
|
|
p="942.75 164.71"
|
|
Z="1558"
|
|
color="11"
|
|
IgnoreWarnings="yes"
|
|
Warning="An atom in this label has an invalid valence."
|
|
MarginWidth="1.46"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
Isotope="2"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="939.46 167.98"
|
|
BoundingBox="940.16 161.44 945.70 167.98"
|
|
color="11"
|
|
LabelJustification="Left"
|
|
LabelLineHeight="auto"
|
|
LineHeight="auto"
|
|
><s font="371" size="9.1" color="11" face="1">D</s></t></n></fragment>
|
|
</page></CDXML>
|