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rdkit/Code/GraphMol/test_data/CDXML/chemdraw_template6.cdxml
Brian Kelley d1985caaa7 cdxml parser (#5273)
2022-09-28 05:49:27 +02:00

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<?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_template6.cdxml"
BoundingBox="45.24 80.63 1313.43 1439.57"
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="20"
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"
RxnAutonumberFormat="(#)"
><colortable>
<color r="1" g="1" b="1"/>
<color r="0" g="0" b="0"/>
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<color r="0.5020" g="0" b="0"/>
<color r="0.0510" g="0.4902" b="0.2510"/>
<color r="0" g="0" b="0.5020"/>
<color r="0.9922" g="0.5020" b="0.0314"/>
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<font id="371" charset="x-mac-roman" name="Helvetica Bold"/>
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NeedsClean="yes"
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id="57573"
p="1086.81 1193.03"
Z="1167"
IgnoreWarnings="yes"
Warning="This atom is very close to another atom or bond."
AS="N"
/><n
id="57574"
p="1095.07 1255.62"
Z="1181"
IgnoreWarnings="yes"
Warning="This atom is very close to another atom or bond."
AS="N"
/><b
id="57575"
Z="1168"
IgnoreWarnings="yes"
B="57573"
E="57550"
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BS="N"
CrossingBonds="57580"
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Z="1171"
AS="N"
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NeedsClean="yes"
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p="1134.48 1210.50"
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BS="N"
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E="57586"
BS="N"
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p="908.71 1294.84"
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LabelAlignment="Left"
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p="715.23 1057.77"
Z="1095"
Element="35"
NumHydrogens="0"
NeedsClean="yes"
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BoundingBox="711.48 1052.59 724.69 1062.96"
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/><b
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LabelLineHeight="auto"
LineHeight="auto"
LabelAlignment="Left"
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Z="1187"
><n
id="57602"
p="643.35 1319.95"
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p="689.89 1305.12"
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Z="1191"
B="57602"
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BoundingBox="421.82 1205 439.84 1218.56"
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LabelAlignment="Left"
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id="57837"
p="452.71 1195.20"
Z="962"
Element="35"
NumHydrogens="0"
NeedsClean="yes"
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p="447.89 1200.38"
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id="57838"
p="400.83 1255.11"
Z="963"
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id="57839"
Z="964"
B="57836"
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Z="965"
B="57835"
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id="57841"
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B="57838"
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p="422.88 1243.82"
BoundingBox="423.27 1236.45 454.43 1246.03"
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LabelAlignment="Left"
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id="57842"
Z="1313"
B="57832"
E="57833"
BS="N"
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id="77202"
p="43.15 99.83"
BoundingBox="45.24 80.63 480.66 105.48"
Z="703"
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Warning="Chemical Interpretation is not possible for this label"
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id="51629"
p="156.22 339.20"
BoundingBox="80.19 324.06 234.17 343.66"
Z="729"
Warning="Chemical Interpretation is not possible for this label"
CaptionJustification="Center"
Justification="Center"
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id="51631"
p="573.98 339.39"
BoundingBox="574.63 324.05 718.83 343.85"
Z="763"
Warning="Chemical Interpretation is not possible for this label"
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><s font="368" size="20.8" color="0" face="2">2º alkyl radicals</s></t><t
id="51632"
p="998.44 339.39"
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Z="768"
Warning="Chemical Interpretation is not possible for this label"
LineHeight="auto"
><s font="368" size="20.8" color="0" face="2">2º alkyl anion</s></t><t
id="57843"
p="874.03 587.29"
BoundingBox="874.68 572.37 960.53 591.90"
Z="1126"
Warning="Chemical Interpretation is not possible for this label"
LineHeight="auto"
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id="57844"
p="874.03 664.62"
BoundingBox="874.68 641.85 981.32 669.22"
Z="1127"
Warning="Chemical Interpretation is not possible for this label"
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id="57845"
p="879.48 920.94"
BoundingBox="881.42 906.01 1054.70 925.40"
Z="1144"
Warning="Chemical Interpretation is not possible for this label"
LineHeight="auto"
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id="57846"
p="672.75 1413.35"
BoundingBox="570.35 1398.42 776.82 1439.57"
Z="1210"
Warning="Chemical Interpretation is not possible for this label"
CaptionJustification="Center"
Justification="Center"
LineHeight="auto"
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