Files
rdkit/Code/GraphMol/test_data/CDXML/ring-stereo1.cdxml
2022-09-28 05:49:27 +02:00

215 lines
5.2 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="test1.cdxml"
BoundingBox="217.54 328.75 322.46 391.25"
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="10"
LabelFace="96"
CaptionFont="21"
CaptionSize="12"
HashSpacing="2.70"
MarginWidth="2"
LineWidth="1"
BoldWidth="4"
BondLength="30"
BondSpacing="12"
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="00030000004800480000000002DE0240FFEEFFEE030602520367052803FC00020000004800480000000002DE0240000100000064000000010001010100000001270F000100010000000000000000000000000002001901900000000000400000000000000000000100000000000000000000000000000000"
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&apos;s Law: "
ChemPropEForm="Heat of Form: "
ChemProptPSA="tPSA: "
ChemPropID=""
ChemPropFragmentLabel=""
color="0"
bgcolor="1"
RxnAutonumberStart="1"
RxnAutonumberConditions="no"
RxnAutonumberStyle="Roman"
><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"/>
</colortable><fonttable>
<font id="21" charset="x-mac-roman" name="Helvetica"/>
</fonttable><page
id="108"
BoundingBox="0 0 540 720"
HeaderPosition="36"
FooterPosition="36"
PrintTrimMarks="yes"
HeightPages="1"
WidthPages="1"
><fragment
id="24"
BoundingBox="217.54 328.75 322.46 391.25"
Z="16"
><n
id="1"
p="321.96 345"
Z="17"
AS="N"
/><n
id="2"
p="295.98 330"
Z="18"
AS="N"
/><n
id="3"
p="270 345"
Z="19"
Geometry="Tetrahedral"
AS="s"
BondOrdering="13 14 19 0"
/><n
id="4"
p="244.02 330"
Z="20"
AS="N"
/><n
id="5"
p="218.04 345"
Z="21"
AS="N"
/><n
id="6"
p="218.04 375"
Z="22"
AS="N"
/><n
id="7"
p="244.02 390"
Z="23"
AS="N"
/><n
id="8"
p="270 375"
Z="24"
Geometry="Tetrahedral"
AS="s"
BondOrdering="19 18 20 0"
/><n
id="9"
p="295.98 390"
Z="25"
AS="N"
/><n
id="10"
p="321.96 375"
Z="26"
AS="N"
/><b
id="12"
Z="27"
B="1"
E="2"
BS="N"
/><b
id="13"
Z="28"
B="2"
E="3"
Display="WedgedHashEnd"
BS="N"
/><b
id="14"
Z="29"
B="3"
E="4"
BS="N"
/><b
id="15"
Z="30"
B="4"
E="5"
BS="N"
/><b
id="16"
Z="31"
B="5"
E="6"
BS="N"
/><b
id="17"
Z="32"
B="6"
E="7"
BS="N"
/><b
id="18"
Z="33"
B="7"
E="8"
Display="WedgedHashEnd"
BS="N"
/><b
id="19"
Z="34"
B="3"
E="8"
BS="N"
/><b
id="20"
Z="35"
B="8"
E="9"
BS="N"
/><b
id="21"
Z="36"
B="9"
E="10"
BS="N"
/><b
id="22"
Z="37"
B="1"
E="10"
BS="N"
/></fragment></page></CDXML>