<?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="DimethylSulfoxide">

  <formula>C2 H6 O S</formula>
  <float title="molecule weight">78.13</float>
  <float title="melting point" units="degC">18</float>
  <float title="boiling point" units="degC">189</float>
  <float title="specific gravity">1.101</float>

  <atomArray>
    <atom id="dimethyl_sulfoxide_a1">
      <string builtin="elementType">C</string>
      <float builtin="x3">0.8293</float>
      <float builtin="y3">1.3548</float>
      <float builtin="z3">0.5856</float>
      <integer builtin="nonHydrogenCount">3</integer>
      <float builtin="x2">-25.98076211353316</float>
      <float builtin="y2">45.0</float>
    </atom>
    <atom id="dimethyl_sulfoxide_a2">
      <string builtin="elementType">S</string>
      <float builtin="x3">2.3997</float>
      <float builtin="y3">2.0598</float>
      <float builtin="z3">0.0</float>
      <integer builtin="nonHydrogenCount">-2</integer>
      <float builtin="x2">0.0</float>
      <float builtin="y2">30.0</float>
    </atom>
    <atom id="dimethyl_sulfoxide_a3">
      <string builtin="elementType">C</string>
      <float builtin="x3">3.5575</float>
      <float builtin="y3">1.0719</float>
      <float builtin="z3">0.9948</float>
      <integer builtin="nonHydrogenCount">3</integer>
      <float builtin="x2">0.0</float>
      <float builtin="y2">0.0</float>
    </atom>
    <atom id="dimethyl_sulfoxide_a4">
      <string builtin="elementType">O</string>
      <float builtin="x3">2.4513</float>
      <float builtin="y3">3.4791</float>
      <float builtin="z3">0.6382</float>
      <integer builtin="nonHydrogenCount">0</integer>
      <float builtin="x2">25.980762113533153</float>
      <float builtin="y2">45.000000000000014</float>
    </atom>
  </atomArray>
  <bondArray>
    <bond id="dimethyl_sulfoxide_b1">
      <string builtin="atomRef">dimethyl_sulfoxide_a1</string>
      <string builtin="atomRef">dimethyl_sulfoxide_a2</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="dimethyl_sulfoxide_b5">
      <string builtin="atomRef">dimethyl_sulfoxide_a2</string>
      <string builtin="atomRef">dimethyl_sulfoxide_a3</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="dimethyl_sulfoxide_b6">
      <string builtin="atomRef">dimethyl_sulfoxide_a2</string>
      <string builtin="atomRef">dimethyl_sulfoxide_a4</string>
      <string builtin="order">2</string>
    </bond>
  </bondArray>
</molecule>

