figures/analyze_groups.mrv

<?xml version="1.0" encoding="UTF-8"?><cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com/marvin/schema/mrvSchema_16_02_15.xsd" version="ChemAxon file format v16.02.15, generated by v17.3.13.0">
<MHead><MarvinGUI><mprop name="saveproperties" dataType="xsd:boolean" value="true"></mprop><mprop name="aminoAcidBondColoringEnabled" dataType="xsd:boolean" value="true"></mprop><mprop name="automaticReactionEnabled" dataType="xsd:boolean" value="true"></mprop><mprop name="setColoringEnabled" dataType="xsd:boolean" value="true"></mprop><mprop name="atomNumberingType" dataType="xsd:integer" value="0"></mprop><mprop name="fogFactor" dataType="xsd:integer" value="66"></mprop><mprop name="automaticFogEnabled" dataType="xsd:boolean" value="false"></mprop><mprop name="atomPropertiesVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="atomMappingVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="EZVisible" dataType="xsd:boolean" value="false"></mprop><mprop name="mpVisible" dataType="xsd:boolean" value="false"></mprop><mprop name="bondLength" dataType="xsd:double" value="28.0"></mprop><mprop name="bondLengthVisible" dataType="xsd:boolean" value="false"></mprop><mprop name="valenceErrorVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="valenceErrorVisibleInView" dataType="xsd:boolean" value="false"></mprop><mprop name="atomSymbolVisible3D" dataType="xsd:boolean" value="true"></mprop><mprop name="rgroupsVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="lonePairsAutoCalc" dataType="xsd:boolean" value="true"></mprop><mprop name="lonePairsAsLine" dataType="xsd:boolean" value="false"></mprop><mprop name="chargeWithCircle" dataType="xsd:boolean" value="false"></mprop><mprop name="molbg" value="#ffffff"></mprop><mprop name="chiralitySupport" dataType="xsd:integer" value="0"></mprop><mprop name="atomsize" dataType="xsd:double" value="0.35714285714"></mprop><mprop name="boldBondWidth" dataType="xsd:double" value="5.0"></mprop><mprop name="bondSpacing" dataType="xsd:double" value="0.180375"></mprop><mprop name="bondHashSpacing" dataType="xsd:double" value="0.15"></mprop><mprop name="wireThickness" dataType="xsd:double" value="0.066666"></mprop><mprop name="stickThickness" dataType="xsd:double" value="0.1"></mprop><mprop name="ballRadius" dataType="xsd:double" value="0.5"></mprop><mprop name="rendering" value="wireframe"></mprop><mprop name="downWedge" value="mdl"></mprop><mprop name="coordinateBondStyle" value="arrow"></mprop><mprop name="coordinateBondStyleAtMulticenter" value="hashed"></mprop><mprop name="anybond" value="auto"></mprop><mprop name="sketchAnyBond" value="auto"></mprop><mprop name="viewAnyBond" value="auto"></mprop><mprop name="atomFont" dataType="xsd:mfont" value="SansSerif-PLAIN-10"></mprop><mprop name="sketchImplicitH" value="hetero"></mprop><mprop name="lonePairsVisible" dataType="xsd:boolean" value="false"></mprop><mprop name="autoscale" dataType="xsd:boolean" value="false"></mprop><mprop name="absLabelVisible" dataType="xsd:boolean" value="false"></mprop><mprop name="colorScheme" value="cpk"></mprop><mprop name="viewCarbonVisibility" value="inChain"></mprop><mprop name="sketchCarbonVisibility" value="off"></mprop><mprop name="viewLigandOrderVisibility" value="showOnlyWithDefinition"></mprop><mprop name="sketchLigandOrderVisibility" value="showOnlyWithDefinition"></mprop><mprop name="rLogicVisible" value="off"></mprop><mprop name="peptideDisplayType" value="3-letter"></mprop><mprop name="zeroBasedAtomIndexing" dataType="xsd:boolean" value="false"></mprop><mprop name="valencePropertyVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="ligandErrorVisible" dataType="xsd:boolean" value="true"></mprop><mprop name="sketchArrowHeadLength" dataType="xsd:double" value="0.8"></mprop><mprop name="sketchArrowHeadWidth" dataType="xsd:double" value="0.5"></mprop><mprop name="sketchArrowTailLength" dataType="xsd:double" value="0.8"></mprop><mprop name="sketchArrowTailWidth" dataType="xsd:double" value="0.5"></mprop></MarvinGUI></MHead>
<MDocument><MElectronContainer id="o1" occupation="0" radical="1"><MElectron atomRefs="m1.a15" difLoc="-0.2950563750587527 0.2950563750587687 0.0"></MElectron></MElectronContainer><MElectronContainer id="o2" occupation="0" radical="1"><MElectron atomRefs="m1.a15" difLoc="0.2950563750587456 -0.2950563750587296 0.0"></MElectron></MElectronContainer><MChemicalStruct><molecule molID="m1"><atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18 a19 a20 a21 a22 a23 a24 a25 a26 a27 a28 a29 a30 a31 a32 a33 a34 a35 a36 a37 a38 a39 a40 a41 a42 a43 a44 a45 a46 a47 a48 a49 a50 a51" elementType="C N N C N C N P S C S C S P C C C O N O N N O O P O O S C N C P N N N O P O S S C N O O O N S C C C C" formalCharge="0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0" radical="0 0 0 0 0 0 0 0 0 0 0 0 0 0 divalent 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x2="2.309999999999999 3.643679121828035 4.97735824365607 10.80636360168457 10.03636360168457 10.80636360168457 8.496363601684571 14.588181991577148 13.048181991577149 18.733638305664062 17.193638305664063 2.375410634183927 3.709089756011963 5.042768877839997 10.260907669067382 9.490907669067383 10.260907669067382 7.950907669067384 14.55181767463684 13.011817674636841 16.99359281649594 18.327271938323975 19.66095106015201 3.418181896209717 3.418181896209717 3.418181896209717 4.958181896209716 1.8781818962097176 10.151818056106567 9.381818056106567 10.151818056106567 7.841818056106568 12.084498959684415 13.418178081512451 14.751857203340485 18.218177318572998 18.218177318572998 18.218177318572998 19.758177318572997 16.678177318573 2.5572303115368324 3.890909433364868 5.224588555192903 9.60636474609375 8.06636474609375 14.370001335144046 12.830001335144043 19.02454545021057 18.25454545021057 19.02454545021057 16.714545450210572" y2="-1.3336791218280357 -2.1036791218280357 -1.3336791218280353 -0.2663209020138224 -1.600000023841858 -2.9336791456698936 -1.600000023841858 -1.6727272272109985 -1.6727272272109985 -1.709091067314148 -1.709091067314148 -5.597878926595053 -6.367878926595052 -5.597878926595051 -4.666320878171964 -6.0 -7.333679121828036 -6.0 -5.890909194946289 -5.890909194946289 -5.597878926595052 -6.367878926595051 -5.597878926595051 -11.830908813476562 -10.290908813476562 -8.750908813476563 -10.290908813476562 -10.290908813476562 -9.029957848691984 -10.36363697052002 -11.697316092348055 -10.36363697052002 -10.216061108907063 -10.986061108907062 -10.216061108907063 -12.0490913772583 -10.5090913772583 -8.969091377258302 -10.5090913772583 -10.5090913772583 -14.397879117329914 -15.167879117329914 -14.397879117329914 -14.618182182312012 -14.618182182312012 -14.5090913772583 -14.5090913772583 -13.284502106809661 -14.618181228637695 -15.95186035046573 -14.618181228637695"></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="A"></bond><bond id="b2" atomRefs2="a2 a3" order="A"></bond><bond id="b3" atomRefs2="a4 a5" order="A"></bond><bond id="b4" atomRefs2="a5 a6" order="1"></bond><bond id="b5" atomRefs2="a5 a7" order="A"></bond><bond id="b6" atomRefs2="a8 a9" order="2"></bond><bond id="b7" atomRefs2="a10 a11" order="2"></bond><bond id="b8" atomRefs2="a12 a13" order="1"></bond><bond id="b9" atomRefs2="a13 a14" order="1"></bond><bond id="b10" atomRefs2="a15 a16" order="1"></bond><bond id="b11" atomRefs2="a16 a17" order="1"></bond><bond id="b12" atomRefs2="a16 a18" order="2"></bond><bond id="b13" atomRefs2="a19 a20" order="2"></bond><bond id="b14" atomRefs2="a21 a22" order="1"></bond><bond id="b15" atomRefs2="a22 a23" order="2"></bond><bond id="b16" atomRefs2="a24 a25" order="1"></bond><bond id="b17" atomRefs2="a25 a26" order="1"></bond><bond id="b18" atomRefs2="a25 a27" order="1"></bond><bond id="b19" atomRefs2="a25 a28" order="2"></bond><bond id="b20" atomRefs2="a29 a30" order="1"></bond><bond id="b21" atomRefs2="a30 a31" order="1"></bond><bond id="b22" atomRefs2="a30 a32" order="1"></bond><bond id="b23" atomRefs2="a33 a34" order="A"></bond><bond id="b24" atomRefs2="a34 a35" order="A"></bond><bond id="b25" atomRefs2="a36 a37" order="1"></bond><bond id="b26" atomRefs2="a37 a38" order="1"></bond><bond id="b27" atomRefs2="a37 a39" order="2"></bond><bond id="b28" atomRefs2="a37 a40" order="1"></bond><bond id="b29" atomRefs2="a41 a42" order="A"></bond><bond id="b30" atomRefs2="a42 a43" order="A"></bond><bond id="b31" atomRefs2="a44 a45" order="1"></bond><bond id="b32" atomRefs2="a46 a47" order="1"></bond><bond id="b33" atomRefs2="a48 a49" order="1"></bond><bond id="b34" atomRefs2="a49 a50" order="1"></bond><bond id="b35" atomRefs2="a49 a51" order="1"></bond></bondArray></molecule></MChemicalStruct></MDocument>
</cml>