<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE molecule SYSTEM "cml1_0_1.dtd">
<!--Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.-->
<!-- type="3D"   <date day="5" month="2" year="2010"/>-->

<molecule convention="MDLMol" title="Pyruvic Acid" >
  <formula>C3 H4 O3</formula>
  <float title="molecule weight">88.06</float>
  <float title="melting point" units="degC">12</float>
  <float title="boiling point" units="degC">165</float>
  <float title="specific gravity">1.265</float>
  <atomArray>
    <atom id="pyruvic_acid_a1">
      <string builtin="elementType">C</string>
      <float builtin="x3">1.2732</float>
      <float builtin="y3">0.8302</float>
      <float builtin="z3">0.9936</float>
      <integer builtin="nonHydrogenCount">0</integer>
      <float builtin="x2">-25.98076211353316</float>
      <float builtin="y2">45.0</float>
    </atom>
    <atom id="pyruvic_acid_a2">
      <string builtin="elementType">C</string>
      <float builtin="x3">2.6424</float>
      <float builtin="y3">1.5034</float>
      <float builtin="z3">0.9854</float>
      <integer builtin="nonHydrogenCount">0</integer>
      <float builtin="x2">0.0</float>
      <float builtin="y2">30.0</float>
    </atom>
    <atom id="pyruvic_acid_a3">
      <string builtin="elementType">C</string>
      <float builtin="x3">2.5974</float>
      <float builtin="y3">2.9991</float>
      <float builtin="z3">0.9011</float>
      <integer builtin="nonHydrogenCount">3</integer>
      <float builtin="x2">25.980762113533153</float>
      <float builtin="y2">45.000000000000014</float>
    </atom>
    <atom id="pyruvic_acid_a4">
      <string builtin="elementType">O</string>
      <float builtin="x3">3.6572</float>
      <float builtin="y3">0.847</float>
      <float builtin="z3">1.0232</float>
      <integer builtin="nonHydrogenCount">0</integer>
      <float builtin="x2">0.0</float>
      <float builtin="y2">0.0</float>
    </atom>
    <atom id="pyruvic_acid_a5">
      <string builtin="elementType">O</string>
      <float builtin="x3">0.8508</float>
      <float builtin="y3">0.4234</float>
      <float builtin="z3">2.2078</float>
      <integer builtin="nonHydrogenCount">1</integer>
      <float builtin="x2">-51.96152422706632</float>
      <float builtin="y2">29.999999999999993</float>
    </atom>
    <atom id="pyruvic_acid_a6">
      <string builtin="elementType">O</string>
      <float builtin="x3">0.5294</float>
      <float builtin="y3">0.64</float>
      <float builtin="z3">0.052</float>
      <integer builtin="nonHydrogenCount">0</integer>
      <float builtin="x2">-25.980762113533174</float>
      <float builtin="y2">75.0</float>
    </atom>
  </atomArray>
  <bondArray>
    <bond id="pyruvic_acid_b1">
      <string builtin="atomRef">pyruvic_acid_a1</string>
      <string builtin="atomRef">pyruvic_acid_a2</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="pyruvic_acid_b2">
      <string builtin="atomRef">pyruvic_acid_a1</string>
      <string builtin="atomRef">pyruvic_acid_a5</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="pyruvic_acid_b3">
      <string builtin="atomRef">pyruvic_acid_a1</string>
      <string builtin="atomRef">pyruvic_acid_a6</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="pyruvic_acid_b4">
      <string builtin="atomRef">pyruvic_acid_a2</string>
      <string builtin="atomRef">pyruvic_acid_a3</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="pyruvic_acid_b5">
      <string builtin="atomRef">pyruvic_acid_a2</string>
      <string builtin="atomRef">pyruvic_acid_a4</string>
      <string builtin="order">2</string>
    </bond>
  </bondArray>
</molecule>

