<?xml version="1.0" encoding="UTF-8"?>

<cml xsi:schemaLocation="http://cml.sourceforge.net/schema/cmlCore.xsd" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" dictRef="ebiMolecule:ebiMoleculeDict.xml" xmlns:ebiMolecule="http://www.ebi.ac.uk/felics/molecule">
  <molecule id="GLY" formalCharge="0">
    <identifier dictRef="ebiMolecule:inchi">InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)</identifier>
    <identifier dictRef="ebiMolecule:systematicName">glycine</identifier>
    <formula dictRef="ebiMolecule:stereoSmiles">NCC(O)=O</formula>
    <formula dictRef="ebiMolecule:nonStereoSmiles">O=C(O)CN</formula>
    <atomArray>
      <atom id="N" elementType="N" hydrogenCount="2" formalCharge="0" x3="1.931" y3="0.09" z3="-0.034"/>
      <atom id="CA" elementType="C" hydrogenCount="2" formalCharge="0" x3="0.761" y3="-0.799" z3="-0.0080"/>
      <atom id="C" elementType="C" hydrogenCount="0" formalCharge="0" x3="-0.498" y3="0.029" z3="-0.0050"/>
      <atom id="O" elementType="O" hydrogenCount="0" formalCharge="0" x3="-0.429" y3="1.235" z3="-0.023"/>
      <atom id="OXT" elementType="O" hydrogenCount="1" formalCharge="0" x3="-1.697" y3="-0.574" z3="0.018"/>
      <atom id="H" elementType="H" hydrogenCount="0" formalCharge="0" x3="1.91" y3="0.738" z3="0.738"/>
      <atom id="H2" elementType="H" hydrogenCount="0" formalCharge="0" x3="2.788" y3="-0.442" z3="-0.037"/>
      <atom id="HA2" elementType="H" hydrogenCount="0" formalCharge="0" x3="0.772" y3="-1.44" z3="-0.889"/>
      <atom id="HA3" elementType="H" hydrogenCount="0" formalCharge="0" x3="0.793" y3="-1.415" z3="0.891"/>
      <atom id="HXT" elementType="H" hydrogenCount="0" formalCharge="0" x3="-2.477" y3="-0.0020" z3="0.019"/>
    </atomArray>
    <bondArray>
      <bond atomsRefs2="N CA" order="1"/>
      <bond atomsRefs2="N H" order="1"/>
      <bond atomsRefs2="N H2" order="1"/>
      <bond atomsRefs2="CA C" order="1"/>
      <bond atomsRefs2="CA HA2" order="1"/>
      <bond atomsRefs2="CA HA3" order="1"/>
      <bond atomsRefs2="C O" order="2"/>
      <bond atomsRefs2="C OXT" order="1"/>
      <bond atomsRefs2="OXT HXT" order="1"/>
    </bondArray>
  </molecule>
</cml>
