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springgraph-sample-MoleculeViewer-cmlfiles-tyrosine.xml



  <molecule convention="MDLMol" id="tyrosine" title="TYROSINE">
    <date day="23" month="11" year="1995">
    </date>
    <atomArray>
      <atom id="a1">
        <string builtin="elementType">C</string>
        <float builtin="x2">1.9088</float>
        <float builtin="y2">-0.1739</float>
      </atom>
      <atom id="a2">
        <string builtin="elementType">C</string>
        <float builtin="x2">3.2535</float>
        <float builtin="y2">-1.3319</float>
      </atom>
      <atom id="a3">
        <string builtin="elementType">C</string>
        <float builtin="x2">0.3266</float>
        <float builtin="y2">-1.2174</float>
      </atom>
      <atom id="a4">
        <string builtin="elementType">N</string>
        <float builtin="x2">1.9979</float>
        <float builtin="y2">3.4274</float>
      </atom>
      <atom id="a5">
        <string builtin="elementType">O</string>
        <float builtin="x2">4.789</float>
        <float builtin="y2">-0.403</float>
      </atom>
      <atom id="a6">
        <string builtin="elementType">O</string>
        <float builtin="x2">3.2535</float>
        <float builtin="y2">-3.3129</float>
      </atom>
      <atom id="a7">
        <string builtin="elementType">C</string>
        <float builtin="x2">-0.509</float>
        <float builtin="y2">-1.2174</float>
      </atom>
      <atom id="a8">
        <string builtin="elementType">C</string>
        <float builtin="x2">-1.3447</float>
        <float builtin="y2">0.0551</float>
      </atom>
      <atom id="a9">
        <string builtin="elementType">C</string>
        <float builtin="x2">-1.3447</float>
        <float builtin="y2">-2.4984</float>
      </atom>
      <atom id="a10">
        <string builtin="elementType">C</string>
        <float builtin="x2">-3.0202</float>
        <float builtin="y2">0.0551</float>
      </atom>
      <atom id="a11">
        <string builtin="elementType">C</string>
        <float builtin="x2">-3.0202</float>
        <float builtin="y2">-2.4984</float>
      </atom>
      <atom id="a12">
        <string builtin="elementType">C</string>
        <float builtin="x2">-3.8558</float>
        <float builtin="y2">-1.2174</float>
      </atom>
      <atom id="a13">
        <string builtin="elementType">O</string>
        <float builtin="x2">-4.6914</float>
        <float builtin="y2">-1.2174</float>
      </atom>
      <atom id="a14">
        <string builtin="elementType">H</string>
        <float builtin="x2">0.2291</float>
        <float builtin="y2">1.6798</float>
      </atom>
    </atomArray>
    <bondArray>
      <bond id="b1">
        <string builtin="atomRef">a1</string>
        <string builtin="atomRef">a2</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b2">
        <string builtin="atomRef">a1</string>
        <string builtin="atomRef">a3</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b3">
        <string builtin="atomRef">a1</string>
        <string builtin="atomRef">a4</string>
        <string builtin="order">1</string>
        <string builtin="stereo">H</string>
      </bond>
      <bond id="b4">
        <string builtin="atomRef">a2</string>
        <string builtin="atomRef">a5</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b5">
        <string builtin="atomRef">a2</string>
        <string builtin="atomRef">a6</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b6">
        <string builtin="atomRef">a3</string>
        <string builtin="atomRef">a7</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b7">
        <string builtin="atomRef">a7</string>
        <string builtin="atomRef">a8</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b8">
        <string builtin="atomRef">a7</string>
        <string builtin="atomRef">a9</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b9">
        <string builtin="atomRef">a8</string>
        <string builtin="atomRef">a10</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b10">
        <string builtin="atomRef">a9</string>
        <string builtin="atomRef">a11</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b11">
        <string builtin="atomRef">a10</string>
        <string builtin="atomRef">a12</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b12">
        <string builtin="atomRef">a12</string>
        <string builtin="atomRef">a13</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b13">
        <string builtin="atomRef">a11</string>
        <string builtin="atomRef">a12</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b14">
        <string builtin="atomRef">a1</string>
        <string builtin="atomRef">a14</string>
        <string builtin="order">1</string>
        <string builtin="stereo">W</string>
      </bond>
    </bondArray>
  </molecule>
  


(C) Æliens 20/2/2008

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