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<?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_20_9_0.xsd" version="ChemAxon file format v20.9.0, generated by v20.9.0">
<MDocument>
<MChemicalStruct>
<molecule molID="m1">
<atomArray atomID="a1 a2 a3 a4 a5 a6" elementType="H R R R R O" sgroupRef="0 aa1 aa2 aa3 aa4 0" x2="0.0000 1.5400 3.0800 4.6200 6.1600 7.7000" y2="0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000"></atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="1"></bond>
<bond id="b2" atomRefs2="a2 a3" order="1"></bond>
<bond id="b3" atomRefs2="a3 a4" order="1"></bond>
<bond id="b4" atomRefs2="a4 a5" order="1"></bond>
<bond id="b5" atomRefs2="a5 a6" order="1"></bond>
</bondArray>
<molecule id="aa1" role="SuperatomSgroup" title="His" oneLetterName="H" threeLetterName="His" molID="m2">
<atomArray atomID="a7 a8 a9 a10 a11 a12 a13 a14 a15 a16" elementType="N C C C C N C N C O" attachmentPoint="1 2 0 0 0 0 0 0 0 0" sgroupAttachmentPoint="1 2 0 0 0 0 0 0 0 0" x2="-0.2739 -1.6075 1.0598 1.0598 2.3057 1.8298 0.2898 -0.1861 -0.2739 -2.9412" y2="5.9300 3.6200 3.6200 2.0800 1.1748 -0.2898 -0.2898 1.1748 4.3900 4.3900"></atomArray>
<bondArray>
<bond id="b6" atomRefs2="a15 a7" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b7" atomRefs2="a15 a9" order="1"></bond>
<bond id="b8" atomRefs2="a9 a10" order="1"></bond>
<bond id="b9" atomRefs2="a10 a11" order="2"></bond>
<bond id="b10" atomRefs2="a11 a12" order="1"></bond>
<bond id="b11" atomRefs2="a12 a13" order="1"></bond>
<bond id="b12" atomRefs2="a13 a14" order="2"></bond>
<bond id="b13" atomRefs2="a10 a14" order="1"></bond>
<bond id="b14" atomRefs2="a15 a8" order="1"></bond>
<bond id="b15" atomRefs2="a8 a16" order="2"></bond>
</bondArray>
<AttachmentPointArray>
<attachmentPoint atom="a7" order="1" bond="b1"></attachmentPoint>
<attachmentPoint atom="a8" order="2" bond="b2"></attachmentPoint>
<attachmentPoint atom="a12" order="3"></attachmentPoint>
</AttachmentPointArray>
</molecule>
<molecule id="aa2" role="SuperatomSgroup" title="Pyl" oneLetterName="O" threeLetterName="Pyl" molID="m3">
<atomArray atomID="a17 a18 a19 a20 a21 a22 a23 a24 a25 a26 a27 a28 a29 a30 a31 a32 a33" elementType="N C C C N C C O N C C C C C C C O" attachmentPoint="1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" sgroupAttachmentPoint="1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x2="11.3482 12.6819 4.1161 2.5761 2.1003 3.3461 3.3461 2.0125 4.6798 6.0135 7.3472 8.6809 10.0145 11.3482 6.0567 4.5920 14.0156" y2="-2.8737 -0.5637 -5.2435 -5.2435 -3.7789 -2.8737 -1.3337 -0.5637 -0.5637 -1.3337 -0.5637 -1.3337 -0.5637 -1.3337 -3.3030 -3.7789 -1.3337"></atomArray>
<bondArray>
<bond id="b16" atomRefs2="a32 a31" order="1">
<bondStereo>H</bondStereo>
</bond>
<bond id="b17" atomRefs2="a32 a19" order="1"></bond>
<bond id="b18" atomRefs2="a19 a20" order="1"></bond>
<bond id="b19" atomRefs2="a20 a21" order="2"></bond>
<bond id="b20" atomRefs2="a21 a22" order="1"></bond>
<bond id="b21" atomRefs2="a32 a22" order="1"></bond>
<bond id="b22" atomRefs2="a22 a23" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b23" atomRefs2="a23 a24" order="2"></bond>
<bond id="b24" atomRefs2="a23 a25" order="1"></bond>
<bond id="b25" atomRefs2="a25 a26" order="1"></bond>
<bond id="b26" atomRefs2="a26 a27" order="1"></bond>
<bond id="b27" atomRefs2="a27 a28" order="1"></bond>
<bond id="b28" atomRefs2="a28 a29" order="1"></bond>
<bond id="b29" atomRefs2="a29 a30" order="1"></bond>
<bond id="b30" atomRefs2="a30 a17" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b31" atomRefs2="a30 a18" order="1"></bond>
<bond id="b32" atomRefs2="a18 a33" order="2"></bond>
</bondArray>
<AttachmentPointArray>
<attachmentPoint atom="a17" order="1" bond="b2"></attachmentPoint>
<attachmentPoint atom="a18" order="2" bond="b3"></attachmentPoint>
</AttachmentPointArray>
</molecule>
<molecule id="aa3" role="SuperatomSgroup" title="Asx" oneLetterName="B" threeLetterName="Asx" molID="m4">
<atomArray atomID="a34 a35 a36 a37 a38 a39 a40 a41" elementType="N C C C N O C O" attachmentPoint="1 2 0 0 0 0 0 0" sgroupAttachmentPoint="1 2 0 0 0 0 0 0" mrvQueryProps="0 0 0 0 L,N,O: 0 0 0" x2="3.6437 4.9774 2.3100 0.9763 0.9763 -0.3574 3.6437 6.3110" y2="-3.6437 -1.3337 -1.3337 -2.1037 -3.6437 -1.3337 -2.1037 -2.1037"></atomArray>
<bondArray>
<bond id="b33" atomRefs2="a40 a34" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b34" atomRefs2="a40 a36" order="1"></bond>
<bond id="b35" atomRefs2="a36 a37" order="1"></bond>
<bond id="b36" atomRefs2="a37 a38" order="1"></bond>
<bond id="b37" atomRefs2="a37 a39" order="2"></bond>
<bond id="b38" atomRefs2="a40 a35" order="1"></bond>
<bond id="b39" atomRefs2="a35 a41" order="2"></bond>
</bondArray>
<AttachmentPointArray>
<attachmentPoint atom="a34" order="1" bond="b3"></attachmentPoint>
<attachmentPoint atom="a35" order="2" bond="b4"></attachmentPoint>
</AttachmentPointArray>
</molecule>
<molecule id="aa4" role="SuperatomSgroup" title="Thr" oneLetterName="T" threeLetterName="Thr" molID="m5">
<atomArray atomID="a42 a43 a44 a45 a46 a47 a48" elementType="N C O C C C O" attachmentPoint="1 2 0 0 0 0 0" sgroupAttachmentPoint="1 2 0 0 0 0 0" x2="4.2074 2.8737 0.2063 2.8737 1.5400 1.5400 4.2074" y2="-0.0000 2.3100 0.7700 0.7700 -1.5400 0.0000 3.0800"></atomArray>
<bondArray>
<bond id="b40" atomRefs2="a46 a47" order="1"></bond>
<bond id="b41" atomRefs2="a47 a44" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b42" atomRefs2="a47 a45" order="1"></bond>
<bond id="b43" atomRefs2="a45 a42" order="1">
<bondStereo>W</bondStereo>
</bond>
<bond id="b44" atomRefs2="a45 a43" order="1"></bond>
<bond id="b45" atomRefs2="a43 a48" order="2"></bond>
</bondArray>
<AttachmentPointArray>
<attachmentPoint atom="a42" order="1" bond="b4"></attachmentPoint>
<attachmentPoint atom="a43" order="2" bond="b5"></attachmentPoint>
<attachmentPoint atom="a44" order="3"></attachmentPoint>
</AttachmentPointArray>
</molecule>
</molecule>
</MChemicalStruct>
</MDocument>
</cml>
|
