Warning, /education/kalzium/data/molecules/porphyrin.cml is written in an unsupported language. File is not indexed.

 <?xml version="1.0"?>
 <molecule xmlns="http://www.xml-cml.org/schema/cml2/core" id="CS_porphyrin">
  <formula concise=" C 20 H 14 N 4 "/>
  <identifier version="InChI/1">
   <basic>1/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-</basic>
  </identifier>
  <name convention="IUPAC">Porphyrin</name>
  <atomArray>
   <atom id="a1" elementType="C" x3="3.907335" y3="1.932793" z3="-0.004212"/>
   <atom id="a2" elementType="C" x3="4.339238" y3="0.645018" z3="-0.003134"/>
   <atom id="a3" elementType="C" x3="3.151443" y3="-0.223227" z3="0.005477"/>
   <atom id="a4" elementType="C" x3="2.433387" y3="1.908125" z3="0.005978"/>
   <atom id="a5" elementType="N" x3="2.002640" y3="0.643641" z3="0.012089"/>
   <atom id="a6" elementType="C" x3="1.601786" y3="3.078419" z3="0.000921"/>
   <atom id="a7" elementType="C" x3="0.247641" y3="3.082350" z3="0.046601"/>
   <atom id="a8" elementType="N" x3="-0.613273" y3="1.952243" z3="0.199060"/>
   <atom id="a9" elementType="C" x3="-1.965687" y3="2.387242" z3="0.045888"/>
   <atom id="a10" elementType="C" x3="-0.629879" y3="4.263802" z3="-0.006432"/>
   <atom id="a11" elementType="C" x3="-1.921227" y3="3.858272" z3="-0.006811"/>
   <atom id="a12" elementType="C" x3="-3.074416" y3="1.609917" z3="-0.000762"/>
   <atom id="a13" elementType="C" x3="-3.087474" y3="0.174311" z3="0.003727"/>
   <atom id="a14" elementType="N" x3="-2.011106" y3="-0.616818" z3="0.010471"/>
   <atom id="a15" elementType="C" x3="-3.928781" y3="-1.951667" z3="-0.007053"/>
   <atom id="a16" elementType="C" x3="-4.310774" y3="-0.648213" z3="-0.007916"/>
   <atom id="a17" elementType="C" x3="-0.225759" y3="-3.082536" z3="0.008610"/>
   <atom id="a18" elementType="N" x3="0.620542" y3="-1.974906" z3="0.023185"/>
   <atom id="a19" elementType="C" x3="1.948024" y3="-2.400107" z3="0.009670"/>
   <atom id="a20" elementType="C" x3="1.930827" y3="-3.818467" z3="-0.008971"/>
   <atom id="a21" elementType="C" x3="0.598995" y3="-4.236561" z3="-0.009628"/>
   <atom id="a22" elementType="C" x3="3.117580" y3="-1.574947" z3="0.007881"/>
   <atom id="a23" elementType="C" x3="-1.657017" y3="-3.074287" z3="0.005548"/>
   <atom id="a24" elementType="C" x3="-2.457857" y3="-1.984844" z3="0.002873"/>
   <atom id="a25" elementType="H" x3="4.501027" y3="2.844163" z3="-0.009585"/>
   <atom id="a26" elementType="H" x3="5.362598" y3="0.276157" z3="-0.008123"/>
   <atom id="a27" elementType="H" x3="2.126785" y3="4.040273" z3="-0.054195"/>
   <atom id="a28" elementType="H" x3="-0.328846" y3="1.046557" z3="-0.100682"/>
   <atom id="a29" elementType="H" x3="-0.248899" y3="5.283427" z3="-0.040031"/>
   <atom id="a30" elementType="H" x3="-2.816794" y3="4.476885" z3="-0.040753"/>
   <atom id="a31" elementType="H" x3="-4.055079" y3="2.098802" z3="-0.056305"/>
   <atom id="a32" elementType="H" x3="-4.557518" y3="-2.839334" z3="-0.013001"/>
   <atom id="a33" elementType="H" x3="-5.318964" y3="-0.240098" z3="-0.014026"/>
   <atom id="a34" elementType="H" x3="0.323208" y3="-1.028248" z3="0.041624"/>
   <atom id="a35" elementType="H" x3="2.812154" y3="-4.455390" z3="-0.021526"/>
   <atom id="a36" elementType="H" x3="0.239687" y3="-5.262858" z3="-0.022785"/>
   <atom id="a37" elementType="H" x3="4.070815" y3="-2.121876" z3="0.004742"/>
   <atom id="a38" elementType="H" x3="-2.126364" y3="-4.068013" z3="0.001585"/>
  </atomArray>
  <bondArray>
   <bond atomRefs2="a1 a2" order="2"/>
   <bond atomRefs2="a2 a3" order="1"/>
   <bond atomRefs2="a1 a4" order="1"/>
   <bond atomRefs2="a4 a5" order="2"/>
   <bond atomRefs2="a5 a3" order="1"/>
   <bond atomRefs2="a4 a6" order="1"/>
   <bond atomRefs2="a6 a7" order="2"/>
   <bond atomRefs2="a7 a8" order="1"/>
   <bond atomRefs2="a8 a9" order="1"/>
   <bond atomRefs2="a7 a10" order="1"/>
   <bond atomRefs2="a10 a11" order="2"/>
   <bond atomRefs2="a11 a9" order="1"/>
   <bond atomRefs2="a9 a12" order="2"/>
   <bond atomRefs2="a12 a13" order="1"/>
   <bond atomRefs2="a13 a14" order="2"/>
   <bond atomRefs2="a15 a16" order="2"/>
   <bond atomRefs2="a16 a13" order="1"/>
   <bond atomRefs2="a17 a18" order="1"/>
   <bond atomRefs2="a18 a19" order="1"/>
   <bond atomRefs2="a19 a20" order="2"/>
   <bond atomRefs2="a20 a21" order="1"/>
   <bond atomRefs2="a21 a17" order="2"/>
   <bond atomRefs2="a3 a22" order="2"/>
   <bond atomRefs2="a22 a19" order="1"/>
   <bond atomRefs2="a14 a24" order="1"/>
   <bond atomRefs2="a24 a15" order="1"/>
   <bond atomRefs2="a24 a23" order="2"/>
   <bond atomRefs2="a23 a17" order="1"/>
   <bond atomRefs2="a1 a25" order="1"/>
   <bond atomRefs2="a2 a26" order="1"/>
   <bond atomRefs2="a6 a27" order="1"/>
   <bond atomRefs2="a8 a28" order="1"/>
   <bond atomRefs2="a10 a29" order="1"/>
   <bond atomRefs2="a11 a30" order="1"/>
   <bond atomRefs2="a12 a31" order="1"/>
   <bond atomRefs2="a15 a32" order="1"/>
   <bond atomRefs2="a16 a33" order="1"/>
   <bond atomRefs2="a18 a34" order="1"/>
   <bond atomRefs2="a20 a35" order="1"/>
   <bond atomRefs2="a21 a36" order="1"/>
   <bond atomRefs2="a22 a37" order="1"/>
   <bond atomRefs2="a23 a38" order="1"/>
  </bondArray>
  <list>
   <propertyList>
    <property dictRef="cml:molwt" title="molecular weight">
     <scalar dataType="xsd:decimal" dictRef="cml:molwt" units="unit:g">310.3520</scalar>
    </property>
    <property dictRef="chemwt:exact_molwt" title="exact molecular weight">
     <scalar dataType="xsd:decimal" dictRef="chemwt:exact_molwt" units="unit:g">310.1218465</scalar>
    </property>
   </propertyList>
  </list>
 </molecule>