|
|
<?xml version="1.0" encoding="UTF-8" ?> |
|
|
<!DOCTYPE CDXML SYSTEM "https://static.chemistry.revvitycloud.com/cdxml/CDXML.dtd" > |
|
|
<CDXML |
|
|
CreationProgram="ChemDraw 23.0.1.11" |
|
|
Name="1.cdxml" |
|
|
BoundingBox="37.81 5.72 514.87 680.89" |
|
|
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" |
|
|
Magnification="602" |
|
|
LabelFont="163" |
|
|
LabelSize="10" |
|
|
LabelFace="96" |
|
|
CaptionFont="163" |
|
|
CaptionSize="10" |
|
|
HashSpacing="2.50" |
|
|
MarginWidth="1.60" |
|
|
LineWidth="0.60" |
|
|
BoldWidth="2" |
|
|
BondLength="14.40" |
|
|
BondSpacing="18" |
|
|
ChainAngle="120" |
|
|
LabelJustification="Auto" |
|
|
CaptionJustification="Left" |
|
|
AminoAcidTermini="HOH" |
|
|
ShowSequenceTermini="yes" |
|
|
ShowSequenceBonds="yes" |
|
|
ShowSequenceUnlinkedBranches="no" |
|
|
ResidueWrapCount="40" |
|
|
ResidueBlockCount="10" |
|
|
PrintMargins="36 36 36 36" |
|
|
MacPrintInfo="0003000000480048000000000301024DFFF4FFF4030C02580367052803FC0002000000480048000000000301024D000100000064000000010001010100000001270F000100010000000000000000000000000002001901900000000000400000000000000000000100000000000000000000000000000000" |
|
|
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="(#)" |
|
|
MonomerRenderingStyle="graphic" |
|
|
><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="163" charset="x-mac-roman" name="Arial"/> |
|
|
<font id="164" charset="x-mac-roman" name="Arial Italic"/> |
|
|
<font id="165" charset="x-mac-roman" name="Arial Bold"/> |
|
|
</fonttable><page |
|
|
id="689" |
|
|
BoundingBox="0 0 540 720" |
|
|
HeaderPosition="36" |
|
|
FooterPosition="36" |
|
|
PrintTrimMarks="yes" |
|
|
HeightPages="1" |
|
|
WidthPages="1" |
|
|
><fragment |
|
|
id="108" |
|
|
BoundingBox="37.81 101.16 162.84 170.95" |
|
|
Z="444" |
|
|
><n |
|
|
id="107" |
|
|
p="73 129.95" |
|
|
Z="443" |
|
|
AS="N" |
|
|
AtomID="46" |
|
|
/><n |
|
|
id="109" |
|
|
p="87.40 129.95" |
|
|
Z="445" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="110 112 129 118" |
|
|
AtomID="47" |
|
|
/><n |
|
|
id="111" |
|
|
p="101.80 129.95" |
|
|
Z="447" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="112 120 131 133" |
|
|
AtomID="48" |
|
|
/><n |
|
|
id="117" |
|
|
p="87.40 115.56" |
|
|
Z="449" |
|
|
AS="N" |
|
|
AtomID="49" |
|
|
/><n |
|
|
id="119" |
|
|
p="101.80 115.56" |
|
|
Z="451" |
|
|
AS="N" |
|
|
AtomID="50" |
|
|
/><n |
|
|
id="124" |
|
|
p="87.40 101.16" |
|
|
Z="454" |
|
|
AS="N" |
|
|
AtomID="51" |
|
|
/><n |
|
|
id="126" |
|
|
p="73 115.56" |
|
|
Z="456" |
|
|
AS="N" |
|
|
AtomID="52" |
|
|
/><n |
|
|
id="128" |
|
|
p="87.40 144.35" |
|
|
Z="458" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="53" |
|
|
><t |
|
|
p="83.79 147.93" |
|
|
BoundingBox="84.59 140.77 90.21 147.93" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="130" |
|
|
p="101.80 144.35" |
|
|
Z="460" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="54" |
|
|
><t |
|
|
p="98.19 147.93" |
|
|
BoundingBox="98.99 140.77 104.61 147.93" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="132" |
|
|
p="116.20 129.95" |
|
|
Z="462" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="133 135 141 137" |
|
|
AtomID="55" |
|
|
/><n |
|
|
id="134" |
|
|
p="123.40 117.48" |
|
|
Z="464" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="56" |
|
|
><t |
|
|
p="119.79 121.06" |
|
|
BoundingBox="120.59 113.90 126.21 121.06" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="136" |
|
|
p="130.60 129.95" |
|
|
Z="466" |
|
|
AS="N" |
|
|
AtomID="57" |
|
|
/><n |
|
|
id="138" |
|
|
p="137.80 117.48" |
|
|
Z="468" |
|
|
Element="8" |
|
|
NumHydrogens="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="58" |
|
|
><t |
|
|
p="133.91 121.12" |
|
|
BoundingBox="134.39 113.84 148.11 121.24" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">OH</s></t></n><n |
|
|
id="140" |
|
|
p="123.40 142.43" |
|
|
Z="470" |
|
|
AS="N" |
|
|
AtomID="59" |
|
|
/><n |
|
|
id="142" |
|
|
p="137.80 142.43" |
|
|
Z="472" |
|
|
AS="N" |
|
|
AtomID="60" |
|
|
/><n |
|
|
id="144" |
|
|
p="145 154.90" |
|
|
Z="474" |
|
|
AS="N" |
|
|
AtomID="61" |
|
|
/><n |
|
|
id="146" |
|
|
p="159.40 154.90" |
|
|
Z="476" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="62" |
|
|
><t |
|
|
p="155.51 158.54" |
|
|
BoundingBox="155.99 151.26 162.84 158.66" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="148" |
|
|
p="137.80 167.37" |
|
|
Z="478" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="63" |
|
|
><t |
|
|
p="134.19 170.95" |
|
|
BoundingBox="134.99 163.79 140.61 170.95" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="150" |
|
|
p="65.80 142.43" |
|
|
Z="480" |
|
|
AS="N" |
|
|
AtomID="64" |
|
|
/><n |
|
|
id="152" |
|
|
p="51.40 142.43" |
|
|
Z="482" |
|
|
AS="N" |
|
|
AtomID="65" |
|
|
/><n |
|
|
id="154" |
|
|
p="41.22 132.24" |
|
|
Z="484" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="66" |
|
|
><t |
|
|
p="37.33 135.88" |
|
|
BoundingBox="37.81 128.60 44.66 136" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="156" |
|
|
p="44.20 154.90" |
|
|
Z="486" |
|
|
AS="N" |
|
|
AtomID="67" |
|
|
/><b |
|
|
id="110" |
|
|
Z="446" |
|
|
B="107" |
|
|
E="109" |
|
|
BS="N" |
|
|
/><b |
|
|
id="112" |
|
|
Z="448" |
|
|
B="109" |
|
|
E="111" |
|
|
BS="N" |
|
|
/><b |
|
|
id="118" |
|
|
Z="450" |
|
|
B="109" |
|
|
E="117" |
|
|
BS="N" |
|
|
/><b |
|
|
id="120" |
|
|
Z="452" |
|
|
B="111" |
|
|
E="119" |
|
|
BS="N" |
|
|
/><b |
|
|
id="123" |
|
|
Z="453" |
|
|
B="117" |
|
|
E="119" |
|
|
BS="N" |
|
|
/><b |
|
|
id="125" |
|
|
Z="455" |
|
|
B="117" |
|
|
E="124" |
|
|
BS="N" |
|
|
/><b |
|
|
id="127" |
|
|
Z="457" |
|
|
B="117" |
|
|
E="126" |
|
|
BS="N" |
|
|
/><b |
|
|
id="129" |
|
|
Z="459" |
|
|
B="109" |
|
|
E="128" |
|
|
Display="WedgedHashBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="131" |
|
|
Z="461" |
|
|
B="111" |
|
|
E="130" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="133" |
|
|
Z="463" |
|
|
B="111" |
|
|
E="132" |
|
|
BS="N" |
|
|
/><b |
|
|
id="135" |
|
|
Z="465" |
|
|
B="132" |
|
|
E="134" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="137" |
|
|
Z="467" |
|
|
B="132" |
|
|
E="136" |
|
|
Display="WedgedHashBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="139" |
|
|
Z="469" |
|
|
B="136" |
|
|
E="138" |
|
|
BS="N" |
|
|
/><b |
|
|
id="141" |
|
|
Z="471" |
|
|
B="132" |
|
|
E="140" |
|
|
BS="N" |
|
|
/><b |
|
|
id="143" |
|
|
Z="473" |
|
|
B="140" |
|
|
E="142" |
|
|
BS="N" |
|
|
/><b |
|
|
id="145" |
|
|
Z="475" |
|
|
B="142" |
|
|
E="144" |
|
|
BS="N" |
|
|
/><b |
|
|
id="147" |
|
|
Z="477" |
|
|
B="144" |
|
|
E="146" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="149" |
|
|
Z="479" |
|
|
B="144" |
|
|
E="148" |
|
|
BS="N" |
|
|
/><b |
|
|
id="151" |
|
|
Z="481" |
|
|
B="107" |
|
|
E="150" |
|
|
BS="N" |
|
|
/><b |
|
|
id="153" |
|
|
Z="483" |
|
|
B="150" |
|
|
E="152" |
|
|
BS="N" |
|
|
/><b |
|
|
id="155" |
|
|
Z="485" |
|
|
B="152" |
|
|
E="154" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="157" |
|
|
Z="487" |
|
|
B="152" |
|
|
E="156" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="159" |
|
|
BoundingBox="76.30 57.94 108.34 67.34" |
|
|
Z="489" |
|
|
><n |
|
|
id="158" |
|
|
p="90.50 61.58" |
|
|
Z="488" |
|
|
NumHydrogens="2" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="68" |
|
|
><t |
|
|
p="94.11 65.22" |
|
|
BoundingBox="76.30 57.94 93.72 67.34" |
|
|
LabelJustification="Right" |
|
|
Justification="Right" |
|
|
LabelAlignment="Right" |
|
|
><s font="163" size="10" color="0" face="96">CH2</s></t></n><n |
|
|
id="160" |
|
|
p="104.90 61.58" |
|
|
Z="490" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="69" |
|
|
><t |
|
|
p="101.01 65.22" |
|
|
BoundingBox="101.49 57.94 108.34 65.34" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><b |
|
|
id="161" |
|
|
Z="491" |
|
|
B="158" |
|
|
E="160" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="162" |
|
|
BoundingBox="57.04 231.36 126.79 356.61" |
|
|
Z="493" |
|
|
><n |
|
|
id="163" |
|
|
p="98.20 266.82" |
|
|
Z="492" |
|
|
AS="N" |
|
|
AtomID="70" |
|
|
/><n |
|
|
id="164" |
|
|
p="97.99 281.22" |
|
|
Z="494" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="185 186 192 187" |
|
|
AtomID="71" |
|
|
/><n |
|
|
id="165" |
|
|
p="97.78 295.61" |
|
|
Z="496" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="186 188 193 194" |
|
|
AtomID="72" |
|
|
/><n |
|
|
id="166" |
|
|
p="112.39 281.42" |
|
|
Z="498" |
|
|
AS="N" |
|
|
AtomID="73" |
|
|
/><n |
|
|
id="167" |
|
|
p="112.18 295.82" |
|
|
Z="500" |
|
|
AS="N" |
|
|
AtomID="74" |
|
|
/><n |
|
|
id="168" |
|
|
p="126.79 281.63" |
|
|
Z="503" |
|
|
AS="N" |
|
|
AtomID="75" |
|
|
/><n |
|
|
id="169" |
|
|
p="112.60 267.03" |
|
|
Z="505" |
|
|
AS="N" |
|
|
AtomID="76" |
|
|
/><n |
|
|
id="170" |
|
|
p="83.59 281.01" |
|
|
Z="507" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="77" |
|
|
><t |
|
|
p="79.98 284.59" |
|
|
BoundingBox="80.78 277.43 86.39 284.59" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="171" |
|
|
p="83.39 295.41" |
|
|
Z="509" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="78" |
|
|
><t |
|
|
p="79.78 298.99" |
|
|
BoundingBox="80.58 291.83 86.19 298.99" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="172" |
|
|
p="97.58 310.01" |
|
|
Z="511" |
|
|
AS="N" |
|
|
AtomID="79" |
|
|
/><n |
|
|
id="173" |
|
|
p="109.94 317.39" |
|
|
Z="513" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="80" |
|
|
><t |
|
|
p="106.05 321.03" |
|
|
BoundingBox="106.53 313.74 113.38 321.15" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="176" |
|
|
p="85 317.03" |
|
|
Z="515" |
|
|
AS="N" |
|
|
AtomID="81" |
|
|
/><n |
|
|
id="177" |
|
|
p="84.79 331.43" |
|
|
Z="517" |
|
|
AS="N" |
|
|
AtomID="82" |
|
|
/><n |
|
|
id="178" |
|
|
p="72.22 338.45" |
|
|
Z="519" |
|
|
AS="N" |
|
|
AtomID="83" |
|
|
/><n |
|
|
id="179" |
|
|
p="72.01 352.85" |
|
|
Z="521" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="84" |
|
|
><t |
|
|
p="68.12 356.49" |
|
|
BoundingBox="68.60 349.20 75.45 356.61" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="180" |
|
|
p="59.85 331.07" |
|
|
Z="523" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="85" |
|
|
><t |
|
|
p="56.24 334.65" |
|
|
BoundingBox="57.04 327.49 62.65 334.65" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><n |
|
|
id="181" |
|
|
p="85.84 259.44" |
|
|
Z="525" |
|
|
AS="N" |
|
|
AtomID="86" |
|
|
/><n |
|
|
id="182" |
|
|
p="86.05 245.04" |
|
|
Z="527" |
|
|
AS="N" |
|
|
AtomID="87" |
|
|
/><n |
|
|
id="183" |
|
|
p="96.37 235.01" |
|
|
Z="529" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="88" |
|
|
><t |
|
|
p="92.48 238.65" |
|
|
BoundingBox="92.96 231.36 99.81 238.77" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="184" |
|
|
p="73.68 237.66" |
|
|
Z="531" |
|
|
AS="N" |
|
|
AtomID="89" |
|
|
/><b |
|
|
id="185" |
|
|
Z="495" |
|
|
B="163" |
|
|
E="164" |
|
|
BS="N" |
|
|
/><b |
|
|
id="186" |
|
|
Z="497" |
|
|
B="164" |
|
|
E="165" |
|
|
BS="N" |
|
|
/><b |
|
|
id="187" |
|
|
Z="499" |
|
|
B="164" |
|
|
E="166" |
|
|
BS="N" |
|
|
/><b |
|
|
id="188" |
|
|
Z="501" |
|
|
B="165" |
|
|
E="167" |
|
|
BS="N" |
|
|
/><b |
|
|
id="189" |
|
|
Z="502" |
|
|
B="166" |
|
|
E="167" |
|
|
BS="N" |
|
|
/><b |
|
|
id="190" |
|
|
Z="504" |
|
|
B="166" |
|
|
E="168" |
|
|
BS="N" |
|
|
/><b |
|
|
id="191" |
|
|
Z="506" |
|
|
B="166" |
|
|
E="169" |
|
|
BS="N" |
|
|
/><b |
|
|
id="192" |
|
|
Z="508" |
|
|
B="164" |
|
|
E="170" |
|
|
Display="WedgedHashBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="193" |
|
|
Z="510" |
|
|
B="165" |
|
|
E="171" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="194" |
|
|
Z="512" |
|
|
B="165" |
|
|
E="172" |
|
|
BS="N" |
|
|
/><b |
|
|
id="195" |
|
|
Z="514" |
|
|
B="172" |
|
|
E="173" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="198" |
|
|
Z="516" |
|
|
B="172" |
|
|
E="176" |
|
|
BS="N" |
|
|
/><b |
|
|
id="199" |
|
|
Z="518" |
|
|
B="176" |
|
|
E="177" |
|
|
BS="N" |
|
|
/><b |
|
|
id="200" |
|
|
Z="520" |
|
|
B="177" |
|
|
E="178" |
|
|
BS="N" |
|
|
/><b |
|
|
id="201" |
|
|
Z="522" |
|
|
B="178" |
|
|
E="179" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="202" |
|
|
Z="524" |
|
|
B="178" |
|
|
E="180" |
|
|
BS="N" |
|
|
/><b |
|
|
id="203" |
|
|
Z="526" |
|
|
B="163" |
|
|
E="181" |
|
|
BS="N" |
|
|
/><b |
|
|
id="204" |
|
|
Z="528" |
|
|
B="181" |
|
|
E="182" |
|
|
BS="N" |
|
|
/><b |
|
|
id="205" |
|
|
Z="530" |
|
|
B="182" |
|
|
E="183" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="206" |
|
|
Z="532" |
|
|
B="182" |
|
|
E="184" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="8" |
|
|
BoundingBox="209.57 14.20 297.17 64.38" |
|
|
Z="535" |
|
|
><n |
|
|
id="5" |
|
|
p="222.19 28.03" |
|
|
Z="533" |
|
|
AS="N" |
|
|
AtomID="1" |
|
|
/><n |
|
|
id="7" |
|
|
p="222.19 42.43" |
|
|
Z="534" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="17 18 33 24" |
|
|
AtomID="2" |
|
|
/><n |
|
|
id="9" |
|
|
p="234.66 49.63" |
|
|
Z="536" |
|
|
AS="N" |
|
|
AtomID="3" |
|
|
/><n |
|
|
id="11" |
|
|
p="247.14 42.43" |
|
|
Z="537" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="19 20 35 26" |
|
|
AtomID="4" |
|
|
/><n |
|
|
id="13" |
|
|
p="247.14 28.03" |
|
|
Z="538" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="20 21 550 0" |
|
|
AtomID="5" |
|
|
/><n |
|
|
id="15" |
|
|
p="234.66 20.83" |
|
|
Z="539" |
|
|
AS="N" |
|
|
AtomID="6" |
|
|
/><n |
|
|
id="23" |
|
|
p="222.19 56.83" |
|
|
Z="546" |
|
|
AS="N" |
|
|
AtomID="7" |
|
|
/><n |
|
|
id="25" |
|
|
p="247.14 56.83" |
|
|
Z="548" |
|
|
AS="N" |
|
|
AtomID="8" |
|
|
/><n |
|
|
id="27" |
|
|
p="234.66 64.03" |
|
|
Z="550" |
|
|
AS="N" |
|
|
AtomID="9" |
|
|
/><n |
|
|
id="32" |
|
|
p="209.72 49.63" |
|
|
Z="553" |
|
|
AS="N" |
|
|
AtomID="10" |
|
|
/><n |
|
|
id="34" |
|
|
p="259.61 49.63" |
|
|
Z="555" |
|
|
AS="N" |
|
|
AtomID="11" |
|
|
/><n |
|
|
id="36" |
|
|
p="257.32 17.84" |
|
|
Z="557" |
|
|
Element="8" |
|
|
NumHydrogens="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="12" |
|
|
><t |
|
|
p="253.43 21.48" |
|
|
BoundingBox="253.92 14.20 267.63 21.61" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">OH</s></t></n><n |
|
|
id="38" |
|
|
p="272.08 42.43" |
|
|
Z="559" |
|
|
AS="N" |
|
|
AtomID="13" |
|
|
/><n |
|
|
id="40" |
|
|
p="284.55 49.63" |
|
|
Z="561" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="14" |
|
|
><t |
|
|
p="280.66 53.27" |
|
|
BoundingBox="281.15 45.99 287.99 53.40" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Below" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="42" |
|
|
p="272.08 28.03" |
|
|
Z="563" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="15" |
|
|
><t |
|
|
p="268.19 31.67" |
|
|
BoundingBox="268.68 24.39 275.52 31.80" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="44" |
|
|
p="297.02 42.43" |
|
|
Z="565" |
|
|
AS="N" |
|
|
AtomID="16" |
|
|
/><b |
|
|
id="17" |
|
|
Z="540" |
|
|
B="5" |
|
|
E="7" |
|
|
BS="N" |
|
|
/><b |
|
|
id="18" |
|
|
Z="541" |
|
|
B="7" |
|
|
E="9" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="19" |
|
|
Z="542" |
|
|
B="9" |
|
|
E="11" |
|
|
Display="WedgeEnd" |
|
|
BS="N" |
|
|
/><b |
|
|
id="20" |
|
|
Z="543" |
|
|
B="11" |
|
|
E="13" |
|
|
BS="N" |
|
|
/><b |
|
|
id="21" |
|
|
Z="544" |
|
|
B="13" |
|
|
E="15" |
|
|
BS="N" |
|
|
/><b |
|
|
id="22" |
|
|
Z="545" |
|
|
B="15" |
|
|
E="5" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="21 0 0 17" |
|
|
/><b |
|
|
id="24" |
|
|
Z="547" |
|
|
B="7" |
|
|
E="23" |
|
|
BS="N" |
|
|
/><b |
|
|
id="26" |
|
|
Z="549" |
|
|
B="11" |
|
|
E="25" |
|
|
BS="N" |
|
|
/><b |
|
|
id="28" |
|
|
Z="551" |
|
|
B="23" |
|
|
E="27" |
|
|
BS="N" |
|
|
/><b |
|
|
id="31" |
|
|
Z="552" |
|
|
B="27" |
|
|
E="25" |
|
|
BS="N" |
|
|
/><b |
|
|
id="33" |
|
|
Z="554" |
|
|
B="7" |
|
|
E="32" |
|
|
BS="N" |
|
|
/><b |
|
|
id="35" |
|
|
Z="556" |
|
|
B="11" |
|
|
E="34" |
|
|
BS="N" |
|
|
/><b |
|
|
id="39" |
|
|
Z="560" |
|
|
B="34" |
|
|
E="38" |
|
|
BS="N" |
|
|
/><b |
|
|
id="41" |
|
|
Z="562" |
|
|
B="38" |
|
|
E="40" |
|
|
BS="N" |
|
|
/><b |
|
|
id="43" |
|
|
Z="564" |
|
|
B="38" |
|
|
E="42" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="45" |
|
|
Z="566" |
|
|
B="40" |
|
|
E="44" |
|
|
BS="N" |
|
|
/><b |
|
|
id="550" |
|
|
Z="903" |
|
|
B="13" |
|
|
E="36" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="46" |
|
|
BoundingBox="429.60 5.72 514.87 55.89" |
|
|
Z="569" |
|
|
><n |
|
|
id="47" |
|
|
p="442.22 19.54" |
|
|
Z="567" |
|
|
AS="N" |
|
|
AtomID="17" |
|
|
/><n |
|
|
id="48" |
|
|
p="442.22 33.94" |
|
|
Z="568" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="63 64 73 69" |
|
|
AtomID="18" |
|
|
/><n |
|
|
id="49" |
|
|
p="454.69 41.14" |
|
|
Z="570" |
|
|
AS="N" |
|
|
AtomID="19" |
|
|
/><n |
|
|
id="50" |
|
|
p="467.16 33.94" |
|
|
Z="571" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="65 66 74 70" |
|
|
AtomID="20" |
|
|
/><n |
|
|
id="51" |
|
|
p="467.16 19.54" |
|
|
Z="572" |
|
|
AS="N" |
|
|
AtomID="21" |
|
|
/><n |
|
|
id="52" |
|
|
p="454.69 12.34" |
|
|
Z="573" |
|
|
AS="N" |
|
|
AtomID="22" |
|
|
/><n |
|
|
id="53" |
|
|
p="442.22 48.34" |
|
|
Z="580" |
|
|
AS="N" |
|
|
AtomID="23" |
|
|
/><n |
|
|
id="54" |
|
|
p="467.16 48.34" |
|
|
Z="582" |
|
|
AS="N" |
|
|
AtomID="24" |
|
|
/><n |
|
|
id="55" |
|
|
p="454.69 55.54" |
|
|
Z="584" |
|
|
AS="N" |
|
|
AtomID="25" |
|
|
/><n |
|
|
id="56" |
|
|
p="429.75 41.14" |
|
|
Z="587" |
|
|
AS="N" |
|
|
AtomID="26" |
|
|
/><n |
|
|
id="57" |
|
|
p="479.63 41.14" |
|
|
Z="589" |
|
|
AS="N" |
|
|
AtomID="27" |
|
|
/><n |
|
|
id="58" |
|
|
p="477.34 9.36" |
|
|
Z="591" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="28" |
|
|
><t |
|
|
p="473.45 13" |
|
|
BoundingBox="473.93 5.72 480.78 13.13" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="59" |
|
|
p="492.10 33.94" |
|
|
Z="593" |
|
|
AS="N" |
|
|
AtomID="29" |
|
|
/><n |
|
|
id="60" |
|
|
p="504.57 41.14" |
|
|
Z="595" |
|
|
Element="8" |
|
|
NumHydrogens="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="30" |
|
|
><t |
|
|
p="500.68 44.78" |
|
|
BoundingBox="501.16 37.50 514.87 44.91" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">OH</s></t></n><n |
|
|
id="61" |
|
|
p="492.10 19.54" |
|
|
Z="597" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="31" |
|
|
><t |
|
|
p="488.21 23.18" |
|
|
BoundingBox="488.69 15.90 495.54 23.31" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><b |
|
|
id="63" |
|
|
Z="574" |
|
|
B="47" |
|
|
E="48" |
|
|
BS="N" |
|
|
/><b |
|
|
id="64" |
|
|
Z="575" |
|
|
B="48" |
|
|
E="49" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="65" |
|
|
Z="576" |
|
|
B="49" |
|
|
E="50" |
|
|
Display="WedgeEnd" |
|
|
BS="N" |
|
|
/><b |
|
|
id="66" |
|
|
Z="577" |
|
|
B="50" |
|
|
E="51" |
|
|
BS="N" |
|
|
/><b |
|
|
id="67" |
|
|
Z="578" |
|
|
B="51" |
|
|
E="52" |
|
|
BS="N" |
|
|
/><b |
|
|
id="68" |
|
|
Z="579" |
|
|
B="52" |
|
|
E="47" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="67 0 0 63" |
|
|
/><b |
|
|
id="69" |
|
|
Z="581" |
|
|
B="48" |
|
|
E="53" |
|
|
BS="N" |
|
|
/><b |
|
|
id="70" |
|
|
Z="583" |
|
|
B="50" |
|
|
E="54" |
|
|
BS="N" |
|
|
/><b |
|
|
id="71" |
|
|
Z="585" |
|
|
B="53" |
|
|
E="55" |
|
|
BS="N" |
|
|
/><b |
|
|
id="72" |
|
|
Z="586" |
|
|
B="55" |
|
|
E="54" |
|
|
BS="N" |
|
|
/><b |
|
|
id="73" |
|
|
Z="588" |
|
|
B="48" |
|
|
E="56" |
|
|
BS="N" |
|
|
/><b |
|
|
id="74" |
|
|
Z="590" |
|
|
B="50" |
|
|
E="57" |
|
|
BS="N" |
|
|
/><b |
|
|
id="75" |
|
|
Z="592" |
|
|
B="51" |
|
|
E="58" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="76" |
|
|
Z="594" |
|
|
B="57" |
|
|
E="59" |
|
|
BS="N" |
|
|
/><b |
|
|
id="77" |
|
|
Z="596" |
|
|
B="59" |
|
|
E="60" |
|
|
BS="N" |
|
|
/><b |
|
|
id="78" |
|
|
Z="598" |
|
|
B="59" |
|
|
E="61" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="80" |
|
|
BoundingBox="323.44 7.34 408.72 57.51" |
|
|
Z="601" |
|
|
><n |
|
|
id="81" |
|
|
p="336.06 21.16" |
|
|
Z="599" |
|
|
AS="N" |
|
|
AtomID="32" |
|
|
/><n |
|
|
id="82" |
|
|
p="336.06 35.56" |
|
|
Z="600" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="96 97 106 102" |
|
|
AtomID="33" |
|
|
/><n |
|
|
id="83" |
|
|
p="348.53 42.76" |
|
|
Z="602" |
|
|
AS="N" |
|
|
AtomID="34" |
|
|
/><n |
|
|
id="84" |
|
|
p="361 35.56" |
|
|
Z="603" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="98 99 209 103" |
|
|
AtomID="35" |
|
|
/><n |
|
|
id="85" |
|
|
p="361 21.16" |
|
|
Z="604" |
|
|
AS="N" |
|
|
AtomID="36" |
|
|
/><n |
|
|
id="86" |
|
|
p="348.53 13.96" |
|
|
Z="605" |
|
|
AS="N" |
|
|
AtomID="37" |
|
|
/><n |
|
|
id="87" |
|
|
p="336.06 49.96" |
|
|
Z="612" |
|
|
AS="N" |
|
|
AtomID="38" |
|
|
/><n |
|
|
id="88" |
|
|
p="361 49.96" |
|
|
Z="614" |
|
|
AS="N" |
|
|
AtomID="39" |
|
|
/><n |
|
|
id="89" |
|
|
p="348.53 57.16" |
|
|
Z="616" |
|
|
AS="N" |
|
|
AtomID="40" |
|
|
/><n |
|
|
id="90" |
|
|
p="323.59 42.76" |
|
|
Z="619" |
|
|
AS="N" |
|
|
AtomID="41" |
|
|
/><n |
|
|
id="91" |
|
|
p="373.47 42.76" |
|
|
Z="621" |
|
|
AS="N" |
|
|
AtomID="42" |
|
|
/><n |
|
|
id="92" |
|
|
p="371.19 10.98" |
|
|
Z="623" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="43" |
|
|
><t |
|
|
p="367.30 14.63" |
|
|
BoundingBox="367.78 7.34 374.63 14.75" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="93" |
|
|
p="385.95 35.56" |
|
|
Z="625" |
|
|
AS="N" |
|
|
AtomID="44" |
|
|
/><n |
|
|
id="94" |
|
|
p="398.42 42.76" |
|
|
Z="627" |
|
|
Element="8" |
|
|
NumHydrogens="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="45" |
|
|
><t |
|
|
p="394.53 46.41" |
|
|
BoundingBox="395.01 39.12 408.72 46.53" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">OH</s></t></n><b |
|
|
id="96" |
|
|
Z="606" |
|
|
B="81" |
|
|
E="82" |
|
|
BS="N" |
|
|
/><b |
|
|
id="97" |
|
|
Z="607" |
|
|
B="82" |
|
|
E="83" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="98" |
|
|
Z="608" |
|
|
B="83" |
|
|
E="84" |
|
|
Display="WedgeEnd" |
|
|
BS="N" |
|
|
/><b |
|
|
id="99" |
|
|
Z="609" |
|
|
B="84" |
|
|
E="85" |
|
|
BS="N" |
|
|
/><b |
|
|
id="100" |
|
|
Z="610" |
|
|
B="85" |
|
|
E="86" |
|
|
BS="N" |
|
|
/><b |
|
|
id="101" |
|
|
Z="611" |
|
|
B="86" |
|
|
E="81" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="100 0 0 96" |
|
|
/><b |
|
|
id="102" |
|
|
Z="613" |
|
|
B="82" |
|
|
E="87" |
|
|
BS="N" |
|
|
/><b |
|
|
id="103" |
|
|
Z="615" |
|
|
B="84" |
|
|
E="88" |
|
|
BS="N" |
|
|
/><b |
|
|
id="104" |
|
|
Z="617" |
|
|
B="87" |
|
|
E="89" |
|
|
BS="N" |
|
|
/><b |
|
|
id="105" |
|
|
Z="618" |
|
|
B="89" |
|
|
E="88" |
|
|
BS="N" |
|
|
/><b |
|
|
id="106" |
|
|
Z="620" |
|
|
B="82" |
|
|
E="90" |
|
|
BS="N" |
|
|
/><b |
|
|
id="209" |
|
|
Z="622" |
|
|
B="84" |
|
|
E="91" |
|
|
BS="N" |
|
|
/><b |
|
|
id="210" |
|
|
Z="624" |
|
|
B="85" |
|
|
E="92" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="211" |
|
|
Z="626" |
|
|
B="91" |
|
|
E="93" |
|
|
BS="N" |
|
|
/><b |
|
|
id="212" |
|
|
Z="628" |
|
|
B="93" |
|
|
E="94" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="213" |
|
|
BoundingBox="369.72 106.09 395.37 147.17" |
|
|
Z="629" |
|
|
><n |
|
|
id="1" |
|
|
p="382.66 106.44" |
|
|
Z="630" |
|
|
AS="N" |
|
|
AtomID="90" |
|
|
/><n |
|
|
id="2" |
|
|
p="395.07 113.74" |
|
|
Z="631" |
|
|
AS="N" |
|
|
AtomID="91" |
|
|
/><n |
|
|
id="3" |
|
|
p="394.96 128.14" |
|
|
Z="632" |
|
|
AS="N" |
|
|
AtomID="92" |
|
|
/><n |
|
|
id="4" |
|
|
p="382.44 135.24" |
|
|
Z="633" |
|
|
Element="7" |
|
|
NumHydrogens="1" |
|
|
Charge="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="93" |
|
|
><t |
|
|
p="378.83 138.82" |
|
|
BoundingBox="379.59 131.66 390.01 147.17" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Below" |
|
|
LineStarts="2 4" |
|
|
><s font="163" size="10" color="0" face="96">NH+</s></t></n><n |
|
|
id="214" |
|
|
p="370.02 127.95" |
|
|
Z="634" |
|
|
AS="N" |
|
|
AtomID="95" |
|
|
/><n |
|
|
id="6" |
|
|
p="370.13 113.55" |
|
|
Z="635" |
|
|
AS="N" |
|
|
AtomID="94" |
|
|
/><b |
|
|
id="215" |
|
|
Z="636" |
|
|
B="1" |
|
|
E="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="216" |
|
|
Z="637" |
|
|
B="2" |
|
|
E="3" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="0 215 10 0" |
|
|
/><b |
|
|
id="10" |
|
|
Z="638" |
|
|
B="3" |
|
|
E="4" |
|
|
BS="N" |
|
|
/><b |
|
|
id="217" |
|
|
Z="639" |
|
|
B="4" |
|
|
E="214" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="0 10 12 0" |
|
|
/><b |
|
|
id="12" |
|
|
Z="640" |
|
|
B="214" |
|
|
E="6" |
|
|
BS="N" |
|
|
/><b |
|
|
id="218" |
|
|
Z="641" |
|
|
B="1" |
|
|
E="6" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="215 0 0 12" |
|
|
/></fragment><fragment |
|
|
id="220" |
|
|
BoundingBox="421.82 102.36 476.91 159.89" |
|
|
Z="642" |
|
|
><n |
|
|
id="221" |
|
|
p="464.62 109.58" |
|
|
Z="643" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
Charge="-1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="96" |
|
|
><t |
|
|
p="460.73 113.22" |
|
|
BoundingBox="461.21 102.36 470.77 113.34" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">O-</s></t></n><n |
|
|
id="222" |
|
|
p="448.50 132.85" |
|
|
Z="644" |
|
|
Element="24" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="97" |
|
|
><t |
|
|
p="448.50 136.49" |
|
|
BoundingBox="443.72 129.21 453.91 136.61" |
|
|
LabelJustification="Center" |
|
|
Justification="Center" |
|
|
LabelAlignment="Center" |
|
|
><s font="163" size="10" color="0" face="96">Cr</s></t></n><n |
|
|
id="223" |
|
|
p="471.78 148.97" |
|
|
Z="645" |
|
|
Element="17" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="98" |
|
|
><t |
|
|
p="468.17 152.61" |
|
|
BoundingBox="468.67 145.33 476.91 152.73" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">Cl</s></t></n><n |
|
|
id="224" |
|
|
p="425.23 116.73" |
|
|
Z="646" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="99" |
|
|
><t |
|
|
p="421.34 120.37" |
|
|
BoundingBox="421.82 113.09 428.67 120.49" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="225" |
|
|
p="432.38 156.13" |
|
|
Z="647" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="100" |
|
|
><t |
|
|
p="428.49 159.77" |
|
|
BoundingBox="428.97 152.49 435.82 159.89" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Right" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><b |
|
|
id="226" |
|
|
Z="648" |
|
|
B="221" |
|
|
E="222" |
|
|
BS="N" |
|
|
/><b |
|
|
id="227" |
|
|
Z="649" |
|
|
B="222" |
|
|
E="223" |
|
|
BS="N" |
|
|
/><b |
|
|
id="228" |
|
|
Z="650" |
|
|
B="222" |
|
|
E="224" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="229" |
|
|
Z="651" |
|
|
B="222" |
|
|
E="225" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="232" |
|
|
BoundingBox="224.43 176.20 301.99 230.78" |
|
|
Z="652" |
|
|
><n |
|
|
id="238" |
|
|
p="249.52 187.23" |
|
|
Z="653" |
|
|
AS="N" |
|
|
AtomID="103" |
|
|
/><n |
|
|
id="239" |
|
|
p="261.99 194.43" |
|
|
Z="654" |
|
|
AS="N" |
|
|
AtomID="104" |
|
|
/><n |
|
|
id="240" |
|
|
p="275.69 189.98" |
|
|
Z="655" |
|
|
AS="N" |
|
|
AtomID="105" |
|
|
/><n |
|
|
id="241" |
|
|
p="280.14 176.29" |
|
|
Z="656" |
|
|
AS="N" |
|
|
AtomID="106" |
|
|
/><n |
|
|
id="242" |
|
|
p="284.15 201.63" |
|
|
Z="657" |
|
|
AS="N" |
|
|
AtomID="107" |
|
|
/><n |
|
|
id="243" |
|
|
p="298.55 201.63" |
|
|
Z="658" |
|
|
Element="8" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="108" |
|
|
><t |
|
|
p="294.66 205.28" |
|
|
BoundingBox="295.14 197.99 301.99 205.40" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">O</s></t></n><n |
|
|
id="244" |
|
|
p="275.69 213.28" |
|
|
Z="659" |
|
|
AS="N" |
|
|
AtomID="109" |
|
|
/><n |
|
|
id="245" |
|
|
p="261.99 208.83" |
|
|
Z="660" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="30 29 258 268" |
|
|
AtomID="110" |
|
|
/><n |
|
|
id="14" |
|
|
p="249.52 216.03" |
|
|
Z="661" |
|
|
AS="N" |
|
|
AtomID="101" |
|
|
/><n |
|
|
id="246" |
|
|
p="237.05 208.83" |
|
|
Z="662" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="259 260 266 264" |
|
|
AtomID="111" |
|
|
/><n |
|
|
id="16" |
|
|
p="237.05 194.43" |
|
|
Z="663" |
|
|
AS="N" |
|
|
AtomID="102" |
|
|
/><n |
|
|
id="263" |
|
|
p="224.58 216.03" |
|
|
Z="676" |
|
|
AS="N" |
|
|
AtomID="112" |
|
|
/><n |
|
|
id="265" |
|
|
p="237.05 223.23" |
|
|
Z="678" |
|
|
AS="N" |
|
|
AtomID="113" |
|
|
/><n |
|
|
id="267" |
|
|
p="261.99 223.23" |
|
|
Z="680" |
|
|
AS="N" |
|
|
AtomID="114" |
|
|
/><n |
|
|
id="269" |
|
|
p="249.52 230.43" |
|
|
Z="682" |
|
|
AS="N" |
|
|
AtomID="115" |
|
|
/><b |
|
|
id="252" |
|
|
Z="664" |
|
|
B="238" |
|
|
E="239" |
|
|
BS="N" |
|
|
/><b |
|
|
id="253" |
|
|
Z="665" |
|
|
B="239" |
|
|
E="240" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="252 30 255 254" |
|
|
/><b |
|
|
id="254" |
|
|
Z="666" |
|
|
B="240" |
|
|
E="241" |
|
|
BS="N" |
|
|
/><b |
|
|
id="255" |
|
|
Z="667" |
|
|
B="240" |
|
|
E="242" |
|
|
BS="N" |
|
|
/><b |
|
|
id="256" |
|
|
Z="668" |
|
|
B="242" |
|
|
E="243" |
|
|
Order="2" |
|
|
BS="N" |
|
|
/><b |
|
|
id="257" |
|
|
Z="669" |
|
|
B="242" |
|
|
E="244" |
|
|
BS="N" |
|
|
/><b |
|
|
id="29" |
|
|
Z="670" |
|
|
B="244" |
|
|
E="245" |
|
|
BS="N" |
|
|
/><b |
|
|
id="30" |
|
|
Z="671" |
|
|
B="239" |
|
|
E="245" |
|
|
BS="N" |
|
|
/><b |
|
|
id="258" |
|
|
Z="672" |
|
|
B="245" |
|
|
E="14" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="259" |
|
|
Z="673" |
|
|
B="14" |
|
|
E="246" |
|
|
Display="WedgeEnd" |
|
|
BS="N" |
|
|
/><b |
|
|
id="260" |
|
|
Z="674" |
|
|
B="246" |
|
|
E="16" |
|
|
BS="N" |
|
|
/><b |
|
|
id="262" |
|
|
Z="675" |
|
|
B="238" |
|
|
E="16" |
|
|
BS="N" |
|
|
/><b |
|
|
id="264" |
|
|
Z="677" |
|
|
B="246" |
|
|
E="263" |
|
|
BS="N" |
|
|
/><b |
|
|
id="266" |
|
|
Z="679" |
|
|
B="246" |
|
|
E="265" |
|
|
BS="N" |
|
|
/><b |
|
|
id="268" |
|
|
Z="681" |
|
|
B="245" |
|
|
E="267" |
|
|
BS="N" |
|
|
/><b |
|
|
id="270" |
|
|
Z="683" |
|
|
B="265" |
|
|
E="269" |
|
|
BS="N" |
|
|
/><b |
|
|
id="273" |
|
|
Z="684" |
|
|
B="269" |
|
|
E="267" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="274" |
|
|
BoundingBox="223.46 261.48 288.99 316.06" |
|
|
Z="685" |
|
|
><n |
|
|
id="275" |
|
|
p="248.55 272.51" |
|
|
Z="686" |
|
|
AS="N" |
|
|
AtomID="116" |
|
|
/><n |
|
|
id="276" |
|
|
p="261.02 279.71" |
|
|
Z="687" |
|
|
Geometry="Tetrahedral" |
|
|
AS="S" |
|
|
BondOrdering="290 291 297 311" |
|
|
AtomID="117" |
|
|
/><n |
|
|
id="277" |
|
|
p="274.72 275.26" |
|
|
Z="688" |
|
|
AS="N" |
|
|
AtomID="118" |
|
|
/><n |
|
|
id="278" |
|
|
p="279.17 261.57" |
|
|
Z="689" |
|
|
AS="N" |
|
|
AtomID="119" |
|
|
/><n |
|
|
id="279" |
|
|
p="283.18 286.91" |
|
|
Z="690" |
|
|
AS="N" |
|
|
AtomID="120" |
|
|
/><n |
|
|
id="281" |
|
|
p="274.72 298.56" |
|
|
Z="691" |
|
|
AS="N" |
|
|
AtomID="121" |
|
|
/><n |
|
|
id="282" |
|
|
p="261.02 294.11" |
|
|
Z="692" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="297 296 298 304" |
|
|
AtomID="122" |
|
|
/><n |
|
|
id="283" |
|
|
p="248.55 301.31" |
|
|
Z="693" |
|
|
AS="N" |
|
|
AtomID="123" |
|
|
/><n |
|
|
id="284" |
|
|
p="236.08 294.11" |
|
|
Z="694" |
|
|
Geometry="Tetrahedral" |
|
|
AS="R" |
|
|
BondOrdering="299 300 303 302" |
|
|
AtomID="124" |
|
|
/><n |
|
|
id="285" |
|
|
p="236.08 279.71" |
|
|
Z="695" |
|
|
AS="N" |
|
|
AtomID="125" |
|
|
/><n |
|
|
id="286" |
|
|
p="223.61 301.31" |
|
|
Z="707" |
|
|
AS="N" |
|
|
AtomID="126" |
|
|
/><n |
|
|
id="287" |
|
|
p="236.08 308.51" |
|
|
Z="709" |
|
|
AS="N" |
|
|
AtomID="127" |
|
|
/><n |
|
|
id="288" |
|
|
p="261.02 308.51" |
|
|
Z="711" |
|
|
AS="N" |
|
|
AtomID="128" |
|
|
/><n |
|
|
id="289" |
|
|
p="248.55 315.71" |
|
|
Z="713" |
|
|
AS="N" |
|
|
AtomID="129" |
|
|
/><n |
|
|
id="308" |
|
|
p="288.94 273.01" |
|
|
Z="716" |
|
|
AS="N" |
|
|
AtomID="130" |
|
|
/><n |
|
|
id="310" |
|
|
p="262.53 265.39" |
|
|
Z="718" |
|
|
Element="1" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="131" |
|
|
><t |
|
|
p="258.92 268.97" |
|
|
BoundingBox="259.72 261.81 265.34 268.97" |
|
|
LabelJustification="Left" |
|
|
><s font="163" size="10" color="0" face="96">H</s></t></n><b |
|
|
id="290" |
|
|
Z="696" |
|
|
B="275" |
|
|
E="276" |
|
|
BS="N" |
|
|
/><b |
|
|
id="291" |
|
|
Z="697" |
|
|
B="276" |
|
|
E="277" |
|
|
BS="N" |
|
|
/><b |
|
|
id="292" |
|
|
Z="698" |
|
|
B="277" |
|
|
E="278" |
|
|
BS="N" |
|
|
/><b |
|
|
id="293" |
|
|
Z="699" |
|
|
B="277" |
|
|
E="279" |
|
|
BS="N" |
|
|
/><b |
|
|
id="295" |
|
|
Z="700" |
|
|
B="279" |
|
|
E="281" |
|
|
Order="2" |
|
|
BS="N" |
|
|
BondCircularOrdering="0 293 296 0" |
|
|
/><b |
|
|
id="296" |
|
|
Z="701" |
|
|
B="281" |
|
|
E="282" |
|
|
BS="N" |
|
|
/><b |
|
|
id="297" |
|
|
Z="702" |
|
|
B="276" |
|
|
E="282" |
|
|
BS="N" |
|
|
/><b |
|
|
id="298" |
|
|
Z="703" |
|
|
B="282" |
|
|
E="283" |
|
|
Display="WedgeBegin" |
|
|
BS="N" |
|
|
/><b |
|
|
id="299" |
|
|
Z="704" |
|
|
B="283" |
|
|
E="284" |
|
|
Display="WedgeEnd" |
|
|
BS="N" |
|
|
/><b |
|
|
id="300" |
|
|
Z="705" |
|
|
B="284" |
|
|
E="285" |
|
|
BS="N" |
|
|
/><b |
|
|
id="301" |
|
|
Z="706" |
|
|
B="275" |
|
|
E="285" |
|
|
BS="N" |
|
|
/><b |
|
|
id="302" |
|
|
Z="708" |
|
|
B="284" |
|
|
E="286" |
|
|
BS="N" |
|
|
/><b |
|
|
id="303" |
|
|
Z="710" |
|
|
B="284" |
|
|
E="287" |
|
|
BS="N" |
|
|
/><b |
|
|
id="304" |
|
|
Z="712" |
|
|
B="282" |
|
|
E="288" |
|
|
BS="N" |
|
|
/><b |
|
|
id="305" |
|
|
Z="714" |
|
|
B="287" |
|
|
E="289" |
|
|
BS="N" |
|
|
/><b |
|
|
id="306" |
|
|
Z="715" |
|
|
B="289" |
|
|
E="288" |
|
|
BS="N" |
|
|
/><b |
|
|
id="309" |
|
|
Z="717" |
|
|
B="277" |
|
|
E="308" |
|
|
BS="N" |
|
|
/><b |
|
|
id="311" |
|
|
Z="719" |
|
|
B="276" |
|
|
E="310" |
|
|
Display="WedgedHashBegin" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="313" |
|
|
BoundingBox="78.86 472.98 143.29 543.20" |
|
|
Z="721" |
|
|
><n |
|
|
id="312" |
|
|
p="79.01 500" |
|
|
Z="720" |
|
|
AS="N" |
|
|
AtomID="132" |
|
|
/><n |
|
|
id="316" |
|
|
p="100.09 500" |
|
|
Z="722" |
|
|
AS="N" |
|
|
AtomID="133" |
|
|
/><n |
|
|
id="318" |
|
|
p="100.09 485.60" |
|
|
Z="723" |
|
|
AS="N" |
|
|
AtomID="134" |
|
|
/><n |
|
|
id="322" |
|
|
p="128.89 485.60" |
|
|
Z="727" |
|
|
AS="N" |
|
|
AtomID="135" |
|
|
/><n |
|
|
id="324" |
|
|
p="128.89 500" |
|
|
Z="729" |
|
|
AS="N" |
|
|
AtomID="136" |
|
|
/><n |
|
|
id="326" |
|
|
p="136.09 473.13" |
|
|
Z="731" |
|
|
AS="N" |
|
|
AtomID="137" |
|
|
/><n |
|
|
id="328" |
|
|
p="143.29 485.60" |
|
|
Z="733" |
|
|
AS="N" |
|
|
AtomID="138" |
|
|
/><n |
|
|
id="330" |
|
|
p="141.36 507.20" |
|
|
Z="735" |
|
|
AS="N" |
|
|
AtomID="139" |
|
|
/><n |
|
|
id="336" |
|
|
p="141.36 521.60" |
|
|
Z="737" |
|
|
AS="N" |
|
|
AtomID="140" |
|
|
/><n |
|
|
id="338" |
|
|
p="128.89 528.80" |
|
|
Z="739" |
|
|
AS="N" |
|
|
AtomID="141" |
|
|
/><n |
|
|
id="340" |
|
|
p="128.89 543.20" |
|
|
Z="741" |
|
|
AS="N" |
|
|
AtomID="142" |
|
|
/><n |
|
|
id="342" |
|
|
p="116.42 521.60" |
|
|
Z="743" |
|
|
AS="N" |
|
|
AtomID="143" |
|
|
/><n |
|
|
id="344" |
|
|
p="103.95 528.80" |
|
|
Z="745" |
|
|
AS="N" |
|
|
AtomID="144" |
|
|
/><n |
|
|
id="346" |
|
|
p="91.48 521.60" |
|
|
Z="747" |
|
|
AS="N" |
|
|
AtomID="145" |
|
|
/><n |
|
|
id="348" |
|
|
p="91.48 507.20" |
|
|
Z="749" |
|
|
AS="N" |
|
|
AtomID="146" |
|
|
/><b |
|
|
id="319" |
|
|
Z="724" |
|
|
B="316" |
|
|
E="318" |
|
|
BS="N" |
|
|
/><b |
|
|
id="325" |
|
|
Z="730" |
|
|
B="322" |
|
|
E="324" |
|
|
BS="N" |
|
|
/><b |
|
|
id="327" |
|
|
Z="732" |
|
|
B="322" |
|
|
E="326" |
|
|
BS="N" |
|
|
/><b |
|
|
id="329" |
|
|
Z="734" |
|
|
B="322" |
|
|
E="328" |
|
|
BS="N" |
|
|
/><b |
|
|
id="331" |
|
|
Z="736" |
|
|
B="324" |
|
|
E="330" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="325 0 337 0" |
|
|
/><b |
|
|
id="337" |
|
|
Z="738" |
|
|
B="330" |
|
|
E="336" |
|
|
BS="N" |
|
|
/><b |
|
|
id="339" |
|
|
Z="740" |
|
|
B="336" |
|
|
E="338" |
|
|
BS="N" |
|
|
/><b |
|
|
id="341" |
|
|
Z="742" |
|
|
B="338" |
|
|
E="340" |
|
|
BS="N" |
|
|
/><b |
|
|
id="343" |
|
|
Z="744" |
|
|
B="338" |
|
|
E="342" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="341 339 0 345" |
|
|
/><b |
|
|
id="345" |
|
|
Z="746" |
|
|
B="342" |
|
|
E="344" |
|
|
BS="N" |
|
|
/><b |
|
|
id="347" |
|
|
Z="748" |
|
|
B="344" |
|
|
E="346" |
|
|
BS="N" |
|
|
/><b |
|
|
id="349" |
|
|
Z="750" |
|
|
B="346" |
|
|
E="348" |
|
|
BS="N" |
|
|
/><b |
|
|
id="350" |
|
|
Z="751" |
|
|
B="348" |
|
|
E="312" |
|
|
BS="N" |
|
|
/><b |
|
|
id="351" |
|
|
Z="752" |
|
|
B="348" |
|
|
E="316" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="350 349 0 319" |
|
|
/><b |
|
|
id="571" |
|
|
Z="924" |
|
|
B="318" |
|
|
E="322" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="353" |
|
|
BoundingBox="196.09 467.01 253.61 539.96" |
|
|
Z="754" |
|
|
><n |
|
|
id="352" |
|
|
p="217.60 467.16" |
|
|
Z="753" |
|
|
AS="N" |
|
|
AtomID="147" |
|
|
/><n |
|
|
id="354" |
|
|
p="224.77 479.58" |
|
|
Z="755" |
|
|
AS="N" |
|
|
AtomID="148" |
|
|
/><n |
|
|
id="356" |
|
|
p="231.95 467.16" |
|
|
Z="757" |
|
|
AS="N" |
|
|
AtomID="149" |
|
|
/><n |
|
|
id="358" |
|
|
p="210.29 487.95" |
|
|
Z="759" |
|
|
AS="N" |
|
|
AtomID="150" |
|
|
/><n |
|
|
id="360" |
|
|
p="240.19 487.81" |
|
|
Z="761" |
|
|
AS="N" |
|
|
AtomID="151" |
|
|
/><n |
|
|
id="362" |
|
|
p="232.86 500.15" |
|
|
Z="763" |
|
|
AS="N" |
|
|
AtomID="152" |
|
|
/><n |
|
|
id="364" |
|
|
p="217.31 500.46" |
|
|
Z="765" |
|
|
AS="N" |
|
|
AtomID="153" |
|
|
/><n |
|
|
id="366" |
|
|
p="209.99 512.80" |
|
|
Z="767" |
|
|
AS="u" |
|
|
AtomID="154" |
|
|
/><n |
|
|
id="368" |
|
|
p="239.89 512.66" |
|
|
Z="769" |
|
|
AS="N" |
|
|
AtomID="155" |
|
|
/><n |
|
|
id="370" |
|
|
p="239.71 527.01" |
|
|
Z="771" |
|
|
AS="u" |
|
|
AtomID="156" |
|
|
/><n |
|
|
id="372" |
|
|
p="209.81 527.15" |
|
|
Z="773" |
|
|
AS="N" |
|
|
AtomID="157" |
|
|
/><n |
|
|
id="374" |
|
|
p="216.84 539.66" |
|
|
Z="775" |
|
|
AS="N" |
|
|
AtomID="158" |
|
|
/><n |
|
|
id="376" |
|
|
p="232.39 539.35" |
|
|
Z="777" |
|
|
AS="N" |
|
|
AtomID="159" |
|
|
/><n |
|
|
id="381" |
|
|
p="253.53 530.89" |
|
|
Z="780" |
|
|
AS="N" |
|
|
AtomID="160" |
|
|
/><n |
|
|
id="383" |
|
|
p="196.17 508.92" |
|
|
Z="782" |
|
|
AS="N" |
|
|
AtomID="161" |
|
|
/><b |
|
|
id="355" |
|
|
Z="756" |
|
|
B="352" |
|
|
E="354" |
|
|
BS="N" |
|
|
/><b |
|
|
id="357" |
|
|
Z="758" |
|
|
B="354" |
|
|
E="356" |
|
|
BS="N" |
|
|
/><b |
|
|
id="359" |
|
|
Z="760" |
|
|
B="354" |
|
|
E="358" |
|
|
BS="N" |
|
|
/><b |
|
|
id="361" |
|
|
Z="762" |
|
|
B="354" |
|
|
E="360" |
|
|
BS="N" |
|
|
/><b |
|
|
id="363" |
|
|
Z="764" |
|
|
B="360" |
|
|
E="362" |
|
|
BS="N" |
|
|
/><b |
|
|
id="365" |
|
|
Z="766" |
|
|
B="358" |
|
|
E="364" |
|
|
BS="N" |
|
|
/><b |
|
|
id="367" |
|
|
Z="768" |
|
|
B="364" |
|
|
E="366" |
|
|
BS="N" |
|
|
/><b |
|
|
id="369" |
|
|
Z="770" |
|
|
B="362" |
|
|
E="368" |
|
|
BS="N" |
|
|
/><b |
|
|
id="371" |
|
|
Z="772" |
|
|
B="368" |
|
|
E="370" |
|
|
BS="N" |
|
|
/><b |
|
|
id="373" |
|
|
Z="774" |
|
|
B="366" |
|
|
E="372" |
|
|
BS="N" |
|
|
/><b |
|
|
id="375" |
|
|
Z="776" |
|
|
B="372" |
|
|
E="374" |
|
|
BS="N" |
|
|
/><b |
|
|
id="377" |
|
|
Z="778" |
|
|
B="370" |
|
|
E="376" |
|
|
BS="N" |
|
|
/><b |
|
|
id="380" |
|
|
Z="779" |
|
|
B="376" |
|
|
E="374" |
|
|
BS="N" |
|
|
/><b |
|
|
id="382" |
|
|
Z="781" |
|
|
B="370" |
|
|
E="381" |
|
|
BS="N" |
|
|
/><b |
|
|
id="384" |
|
|
Z="783" |
|
|
B="366" |
|
|
E="383" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="385" |
|
|
BoundingBox="294.14 476.68 347.84 553" |
|
|
Z="785" |
|
|
><n |
|
|
id="386" |
|
|
p="312.99 476.92" |
|
|
Z="784" |
|
|
AS="N" |
|
|
AtomID="162" |
|
|
/><n |
|
|
id="387" |
|
|
p="320.92 490.47" |
|
|
Z="786" |
|
|
AS="N" |
|
|
AtomID="163" |
|
|
/><n |
|
|
id="388" |
|
|
p="328.69 476.83" |
|
|
Z="788" |
|
|
AS="N" |
|
|
AtomID="164" |
|
|
/><n |
|
|
id="389" |
|
|
p="306.79 498.42" |
|
|
Z="790" |
|
|
AS="N" |
|
|
AtomID="165" |
|
|
/><n |
|
|
id="390" |
|
|
p="335.77 498.61" |
|
|
Z="792" |
|
|
AS="N" |
|
|
AtomID="166" |
|
|
/><n |
|
|
id="391" |
|
|
p="328.54 510.49" |
|
|
Z="794" |
|
|
AS="u" |
|
|
AtomID="167" |
|
|
/><n |
|
|
id="392" |
|
|
p="313.46 510.63" |
|
|
Z="796" |
|
|
AS="u" |
|
|
AtomID="168" |
|
|
/><n |
|
|
id="421" |
|
|
p="308.53 531.05" |
|
|
Z="799" |
|
|
AS="u" |
|
|
AtomID="169" |
|
|
/><n |
|
|
id="423" |
|
|
p="308.53 545.45" |
|
|
Z="800" |
|
|
AS="N" |
|
|
AtomID="170" |
|
|
/><n |
|
|
id="425" |
|
|
p="321 552.65" |
|
|
Z="801" |
|
|
AS="N" |
|
|
AtomID="171" |
|
|
/><n |
|
|
id="427" |
|
|
p="333.47 545.45" |
|
|
Z="802" |
|
|
AS="N" |
|
|
AtomID="172" |
|
|
/><n |
|
|
id="429" |
|
|
p="333.47 531.05" |
|
|
Z="803" |
|
|
AS="u" |
|
|
AtomID="173" |
|
|
/><n |
|
|
id="431" |
|
|
p="321 523.85" |
|
|
Z="804" |
|
|
AtomID="174" |
|
|
/><n |
|
|
id="442" |
|
|
p="347.81 529.71" |
|
|
Z="813" |
|
|
AS="N" |
|
|
AtomID="175" |
|
|
/><n |
|
|
id="444" |
|
|
p="294.16 530.05" |
|
|
Z="815" |
|
|
AS="N" |
|
|
AtomID="176" |
|
|
/><n |
|
|
id="460" |
|
|
p="321 538.45" |
|
|
Z="817" |
|
|
Element="8" |
|
|
NumHydrogens="1" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="177" |
|
|
><t |
|
|
p="317.11 542.09" |
|
|
BoundingBox="317.59 534.81 331.31 542.21" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">OH</s></t></n><b |
|
|
id="401" |
|
|
Z="787" |
|
|
B="386" |
|
|
E="387" |
|
|
BS="N" |
|
|
/><b |
|
|
id="402" |
|
|
Z="789" |
|
|
B="387" |
|
|
E="388" |
|
|
BS="N" |
|
|
/><b |
|
|
id="403" |
|
|
Z="791" |
|
|
B="387" |
|
|
E="389" |
|
|
BS="N" |
|
|
/><b |
|
|
id="404" |
|
|
Z="793" |
|
|
B="387" |
|
|
E="390" |
|
|
BS="N" |
|
|
/><b |
|
|
id="405" |
|
|
Z="795" |
|
|
B="390" |
|
|
E="391" |
|
|
BS="N" |
|
|
/><b |
|
|
id="406" |
|
|
Z="797" |
|
|
B="389" |
|
|
E="392" |
|
|
BS="N" |
|
|
/><b |
|
|
id="419" |
|
|
Z="798" |
|
|
B="392" |
|
|
E="391" |
|
|
BS="N" |
|
|
/><b |
|
|
id="433" |
|
|
Z="805" |
|
|
B="421" |
|
|
E="423" |
|
|
BS="N" |
|
|
/><b |
|
|
id="434" |
|
|
Z="806" |
|
|
B="423" |
|
|
E="425" |
|
|
BS="N" |
|
|
/><b |
|
|
id="435" |
|
|
Z="807" |
|
|
B="425" |
|
|
E="427" |
|
|
BS="N" |
|
|
/><b |
|
|
id="436" |
|
|
Z="808" |
|
|
B="427" |
|
|
E="429" |
|
|
BS="N" |
|
|
/><b |
|
|
id="437" |
|
|
Z="809" |
|
|
B="429" |
|
|
E="431" |
|
|
BS="N" |
|
|
/><b |
|
|
id="438" |
|
|
Z="810" |
|
|
B="431" |
|
|
E="421" |
|
|
BS="N" |
|
|
/><b |
|
|
id="439" |
|
|
Z="811" |
|
|
B="421" |
|
|
E="392" |
|
|
BS="N" |
|
|
/><b |
|
|
id="441" |
|
|
Z="812" |
|
|
B="429" |
|
|
E="391" |
|
|
BS="N" |
|
|
/><b |
|
|
id="443" |
|
|
Z="814" |
|
|
B="429" |
|
|
E="442" |
|
|
BS="N" |
|
|
/><b |
|
|
id="445" |
|
|
Z="816" |
|
|
B="421" |
|
|
E="444" |
|
|
BS="N" |
|
|
/><b |
|
|
id="461" |
|
|
Z="818" |
|
|
B="431" |
|
|
E="460" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="462" |
|
|
BoundingBox="382.37 459.89 492.31 575.04" |
|
|
Z="820" |
|
|
><n |
|
|
id="463" |
|
|
p="382.52 504.14" |
|
|
Z="819" |
|
|
AS="N" |
|
|
AtomID="178" |
|
|
/><n |
|
|
id="464" |
|
|
p="417.13 504.14" |
|
|
Z="821" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="R" |
|
|
AtomID="179" |
|
|
><t |
|
|
p="413.52 507.72" |
|
|
BoundingBox="414.31 500.56 424.52 509.84" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">R2</s></t></n><n |
|
|
id="465" |
|
|
p="417.13 480.51" |
|
|
Z="822" |
|
|
AS="N" |
|
|
AtomID="180" |
|
|
/><n |
|
|
id="467" |
|
|
p="464.40 480.51" |
|
|
Z="826" |
|
|
AS="N" |
|
|
AtomID="181" |
|
|
/><n |
|
|
id="468" |
|
|
p="464.40 504.14" |
|
|
Z="828" |
|
|
AS="N" |
|
|
AtomID="182" |
|
|
/><n |
|
|
id="469" |
|
|
p="476.21 460.04" |
|
|
Z="830" |
|
|
AS="N" |
|
|
AtomID="183" |
|
|
/><n |
|
|
id="470" |
|
|
p="488.03 480.51" |
|
|
Z="832" |
|
|
AS="N" |
|
|
AtomID="184" |
|
|
/><n |
|
|
id="471" |
|
|
p="484.87 515.96" |
|
|
Z="834" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="R" |
|
|
AtomID="185" |
|
|
><t |
|
|
p="481.26 519.54" |
|
|
BoundingBox="482.05 512.38 492.31 521.75" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">R3</s></t></n><n |
|
|
id="472" |
|
|
p="484.87 539.59" |
|
|
Z="836" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="R" |
|
|
AtomID="186" |
|
|
><t |
|
|
p="481.26 543.17" |
|
|
BoundingBox="482.05 536.01 492.29 545.29" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">R4</s></t></n><n |
|
|
id="473" |
|
|
p="464.40 551.41" |
|
|
Z="838" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="R" |
|
|
AtomID="187" |
|
|
><t |
|
|
p="460.79 554.99" |
|
|
BoundingBox="461.58 547.83 471.88 557.20" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">R5</s></t></n><n |
|
|
id="474" |
|
|
p="464.40 575.04" |
|
|
Z="840" |
|
|
AS="N" |
|
|
AtomID="188" |
|
|
/><n |
|
|
id="475" |
|
|
p="443.93 539.59" |
|
|
Z="842" |
|
|
AS="N" |
|
|
AtomID="189" |
|
|
/><n |
|
|
id="476" |
|
|
p="423.46 551.41" |
|
|
Z="844" |
|
|
AS="N" |
|
|
AtomID="190" |
|
|
/><n |
|
|
id="477" |
|
|
p="402.99 539.59" |
|
|
Z="846" |
|
|
AS="N" |
|
|
AtomID="191" |
|
|
/><n |
|
|
id="478" |
|
|
p="402.99 515.96" |
|
|
Z="848" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="R" |
|
|
AtomID="192" |
|
|
><t |
|
|
p="399.38 519.54" |
|
|
BoundingBox="400.17 512.38 409.40 521.66" |
|
|
LabelJustification="Left" |
|
|
LabelAlignment="Left" |
|
|
><s font="163" size="10" color="0" face="96">R1</s></t></n><b |
|
|
id="479" |
|
|
Z="823" |
|
|
B="464" |
|
|
E="465" |
|
|
BS="N" |
|
|
/><b |
|
|
id="482" |
|
|
Z="829" |
|
|
B="467" |
|
|
E="468" |
|
|
BS="N" |
|
|
/><b |
|
|
id="483" |
|
|
Z="831" |
|
|
B="467" |
|
|
E="469" |
|
|
BS="N" |
|
|
/><b |
|
|
id="484" |
|
|
Z="833" |
|
|
B="467" |
|
|
E="470" |
|
|
BS="N" |
|
|
/><b |
|
|
id="485" |
|
|
Z="835" |
|
|
B="468" |
|
|
E="471" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="482 0 486 0" |
|
|
/><b |
|
|
id="486" |
|
|
Z="837" |
|
|
B="471" |
|
|
E="472" |
|
|
BS="N" |
|
|
/><b |
|
|
id="487" |
|
|
Z="839" |
|
|
B="472" |
|
|
E="473" |
|
|
BS="N" |
|
|
/><b |
|
|
id="488" |
|
|
Z="841" |
|
|
B="473" |
|
|
E="474" |
|
|
BS="N" |
|
|
/><b |
|
|
id="489" |
|
|
Z="843" |
|
|
B="473" |
|
|
E="475" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="488 487 0 490" |
|
|
/><b |
|
|
id="490" |
|
|
Z="845" |
|
|
B="475" |
|
|
E="476" |
|
|
BS="N" |
|
|
/><b |
|
|
id="491" |
|
|
Z="847" |
|
|
B="476" |
|
|
E="477" |
|
|
BS="N" |
|
|
/><b |
|
|
id="492" |
|
|
Z="849" |
|
|
B="477" |
|
|
E="478" |
|
|
BS="N" |
|
|
/><b |
|
|
id="493" |
|
|
Z="850" |
|
|
B="478" |
|
|
E="463" |
|
|
BS="N" |
|
|
/><b |
|
|
id="494" |
|
|
Z="851" |
|
|
B="478" |
|
|
E="464" |
|
|
Order="2" |
|
|
BS="E" |
|
|
BondCircularOrdering="493 492 0 479" |
|
|
/><b |
|
|
id="605" |
|
|
Z="958" |
|
|
B="465" |
|
|
E="467" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="557" |
|
|
BoundingBox="396.31 169.65 416.19 177.06" |
|
|
Z="910" |
|
|
><n |
|
|
id="556" |
|
|
p="398.92 173.36" |
|
|
Z="909" |
|
|
Warning="An atom in this label has an invalid valence." |
|
|
NodeType="Unspecified" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="193" |
|
|
><fragment |
|
|
id="690" |
|
|
><n |
|
|
id="691" |
|
|
p="399.42 169.77" |
|
|
Element="15" |
|
|
NumHydrogens="0" |
|
|
/><n |
|
|
id="692" |
|
|
p="386.99 176.94" |
|
|
NumHydrogens="0" |
|
|
/><n |
|
|
id="693" |
|
|
p="411.85 176.94" |
|
|
NumHydrogens="0" |
|
|
/><b |
|
|
id="694" |
|
|
B="691" |
|
|
E="692" |
|
|
/><b |
|
|
id="695" |
|
|
B="691" |
|
|
E="693" |
|
|
/></fragment><t |
|
|
id="555" |
|
|
p="395.58 176.94" |
|
|
BoundingBox="396.31 169.65 416.19 177.06" |
|
|
Z="908" |
|
|
LabelJustification="Left" |
|
|
LabelLineHeight="auto" |
|
|
LineHeight="auto" |
|
|
LabelAlignment="Left" |
|
|
><s font="165" size="10" color="0" face="1">PCC</s></t></n></fragment><fragment |
|
|
id="577" |
|
|
BoundingBox="207.82 554.74 214.38 561.90" |
|
|
Z="930" |
|
|
><n |
|
|
id="576" |
|
|
p="211.11 558.32" |
|
|
Z="929" |
|
|
NodeType="GenericNickname" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
GenericNickname="X" |
|
|
AtomID="194" |
|
|
><t |
|
|
id="575" |
|
|
p="207.78 561.90" |
|
|
BoundingBox="207.82 554.74 214.38 561.90" |
|
|
Z="928" |
|
|
LabelJustification="Left" |
|
|
LabelLineHeight="auto" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">X</s></t></n></fragment><fragment |
|
|
id="606" |
|
|
BoundingBox="204.79 585.99 254.77 659.08" |
|
|
Z="993" |
|
|
><n |
|
|
id="607" |
|
|
p="219.06 586.14" |
|
|
Z="992" |
|
|
AS="N" |
|
|
AtomID="195" |
|
|
/><n |
|
|
id="608" |
|
|
p="226.23 598.56" |
|
|
Z="994" |
|
|
AS="N" |
|
|
AtomID="196" |
|
|
/><n |
|
|
id="609" |
|
|
p="233.41 586.14" |
|
|
Z="996" |
|
|
AS="N" |
|
|
AtomID="197" |
|
|
/><n |
|
|
id="610" |
|
|
p="211.75 606.93" |
|
|
Z="998" |
|
|
AS="N" |
|
|
AtomID="198" |
|
|
/><n |
|
|
id="611" |
|
|
p="241.65 606.79" |
|
|
Z="1000" |
|
|
AS="N" |
|
|
AtomID="199" |
|
|
/><n |
|
|
id="612" |
|
|
p="234.32 619.13" |
|
|
Z="1002" |
|
|
AS="u" |
|
|
AtomID="200" |
|
|
/><n |
|
|
id="613" |
|
|
p="218.77 619.44" |
|
|
Z="1004" |
|
|
AS="u" |
|
|
AtomID="201" |
|
|
/><n |
|
|
id="649" |
|
|
p="218.77 633.84" |
|
|
Z="1035" |
|
|
AS="u" |
|
|
AtomID="202" |
|
|
/><n |
|
|
id="655" |
|
|
p="234.32 633.53" |
|
|
Z="1041" |
|
|
AS="u" |
|
|
AtomID="203" |
|
|
/><n |
|
|
id="671" |
|
|
p="211.57 646.31" |
|
|
Z="1057" |
|
|
AS="N" |
|
|
AtomID="204" |
|
|
/><n |
|
|
id="673" |
|
|
p="218.77 658.78" |
|
|
Z="1059" |
|
|
AS="N" |
|
|
AtomID="205" |
|
|
/><n |
|
|
id="675" |
|
|
p="233.17 658.78" |
|
|
Z="1061" |
|
|
AS="N" |
|
|
AtomID="206" |
|
|
/><n |
|
|
id="677" |
|
|
p="240.37 646.31" |
|
|
Z="1063" |
|
|
AS="u" |
|
|
AtomID="207" |
|
|
/><n |
|
|
id="684" |
|
|
p="204.86 630.12" |
|
|
Z="1070" |
|
|
AS="N" |
|
|
AtomID="208" |
|
|
/><n |
|
|
id="686" |
|
|
p="254.77 646.31" |
|
|
Z="1072" |
|
|
AS="N" |
|
|
AtomID="209" |
|
|
/><b |
|
|
id="622" |
|
|
Z="995" |
|
|
B="607" |
|
|
E="608" |
|
|
BS="N" |
|
|
/><b |
|
|
id="623" |
|
|
Z="997" |
|
|
B="608" |
|
|
E="609" |
|
|
BS="N" |
|
|
/><b |
|
|
id="624" |
|
|
Z="999" |
|
|
B="608" |
|
|
E="610" |
|
|
BS="N" |
|
|
/><b |
|
|
id="625" |
|
|
Z="1001" |
|
|
B="608" |
|
|
E="611" |
|
|
BS="N" |
|
|
/><b |
|
|
id="626" |
|
|
Z="1003" |
|
|
B="611" |
|
|
E="612" |
|
|
BS="N" |
|
|
/><b |
|
|
id="627" |
|
|
Z="1005" |
|
|
B="610" |
|
|
E="613" |
|
|
BS="N" |
|
|
/><b |
|
|
id="648" |
|
|
Z="1034" |
|
|
B="613" |
|
|
E="612" |
|
|
BS="N" |
|
|
/><b |
|
|
id="650" |
|
|
Z="1036" |
|
|
B="613" |
|
|
E="649" |
|
|
BS="N" |
|
|
/><b |
|
|
id="656" |
|
|
Z="1042" |
|
|
B="612" |
|
|
E="655" |
|
|
BS="N" |
|
|
/><b |
|
|
id="660" |
|
|
Z="1046" |
|
|
B="649" |
|
|
E="655" |
|
|
BS="N" |
|
|
/><b |
|
|
id="679" |
|
|
Z="1065" |
|
|
B="649" |
|
|
E="671" |
|
|
BS="N" |
|
|
/><b |
|
|
id="680" |
|
|
Z="1066" |
|
|
B="671" |
|
|
E="673" |
|
|
BS="N" |
|
|
/><b |
|
|
id="681" |
|
|
Z="1067" |
|
|
B="673" |
|
|
E="675" |
|
|
BS="N" |
|
|
/><b |
|
|
id="682" |
|
|
Z="1068" |
|
|
B="675" |
|
|
E="677" |
|
|
BS="N" |
|
|
/><b |
|
|
id="683" |
|
|
Z="1069" |
|
|
B="677" |
|
|
E="655" |
|
|
BS="N" |
|
|
/><b |
|
|
id="685" |
|
|
Z="1071" |
|
|
B="649" |
|
|
E="684" |
|
|
BS="N" |
|
|
/><b |
|
|
id="687" |
|
|
Z="1073" |
|
|
B="677" |
|
|
E="686" |
|
|
BS="N" |
|
|
/></fragment><fragment |
|
|
id="637" |
|
|
BoundingBox="209.27 673.73 215.83 680.89" |
|
|
Z="1024" |
|
|
><n |
|
|
id="638" |
|
|
p="212.58 677.30" |
|
|
Z="1023" |
|
|
Element="39" |
|
|
NumHydrogens="0" |
|
|
NeedsClean="yes" |
|
|
AS="N" |
|
|
AtomID="210" |
|
|
><t |
|
|
p="209.24 680.89" |
|
|
BoundingBox="209.27 673.73 215.83 680.89" |
|
|
LabelJustification="Left" |
|
|
LabelLineHeight="auto" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">Y</s></t></n></fragment><t |
|
|
id="537" |
|
|
p="84 191" |
|
|
BoundingBox="85.09 183.72 101.94 191.12" |
|
|
Z="890" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">1. C</s></t><t |
|
|
id="551" |
|
|
p="243.90 77.68" |
|
|
BoundingBox="244.99 70.50 261.71 77.68" |
|
|
Z="904" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">1. D</s></t><t |
|
|
id="553" |
|
|
p="342.20 74.59" |
|
|
BoundingBox="343.29 67.31 360.47 74.71" |
|
|
Z="906" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">1. G</s></t><t |
|
|
id="554" |
|
|
p="462.08 75.28" |
|
|
BoundingBox="463.16 68.09 479.61 75.28" |
|
|
Z="907" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">1. H</s></t><t |
|
|
id="562" |
|
|
p="236.48 328.44" |
|
|
BoundingBox="236.97 321.16 248.58 328.56" |
|
|
Z="915" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">Cv</s></t><t |
|
|
id="572" |
|
|
p="97.57 561.30" |
|
|
BoundingBox="98.37 554.14 109.63 561.42" |
|
|
Z="925" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="163" size="10" color="0">Hu</s></t><t |
|
|
id="583" |
|
|
p="314.38 569.73" |
|
|
BoundingBox="314.82 562.45 335.63 569.85" |
|
|
Z="936" |
|
|
Warning="Chemical Interpretation is not possible for this label" |
|
|
LineHeight="auto" |
|
|
><s font="164" size="10" color="0" face="2">a</s><s font="163" size="10" color="0">-Ca</s></t></page></CDXML> |