topical media & game development

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springgraph-sample-MoleculeViewer-cmlfiles-diazepam.xml



  <molecule convention="MDLMol" id="diazepam" title="DIAZEPAM">
    <date day="22" month="11" year="1995">
    </date>
    <atomArray>
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        <float builtin="x2">1.4278</float>
        <float builtin="y2">-0.202</float>
      </atom>
      <atom id="a2">
        <string builtin="elementType">C</string>
        <float builtin="x2">0.2204</float>
        <float builtin="y2">0.7483</float>
      </atom>
      <atom id="a3">
        <string builtin="elementType">C</string>
        <float builtin="x2">1.1983</float>
        <float builtin="y2">-1.7262</float>
      </atom>
      <atom id="a4">
        <string builtin="elementType">N</string>
        <float builtin="x2">2.9383</float>
        <float builtin="y2">0.1377</float>
      </atom>
      <atom id="a5">
        <string builtin="elementType">C</string>
        <float builtin="x2">0.2204</float>
        <float builtin="y2">2.3093</float>
      </atom>
      <atom id="a6">
        <string builtin="elementType">C</string>
        <float builtin="x2">-1.111</float>
        <float builtin="y2">-0.0138</float>
      </atom>
      <atom id="a7">
        <string builtin="elementType">C</string>
        <float builtin="x2">2.4195</float>
        <float builtin="y2">-2.6766</float>
      </atom>
      <atom id="a8">
        <string builtin="elementType">C</string>
        <float builtin="x2">-0.2433</float>
        <float builtin="y2">-2.3093</float>
      </atom>
      <atom id="a9">
        <string builtin="elementType">C</string>
        <float builtin="x2">3.604</float>
        <float builtin="y2">1.5472</float>
      </atom>
      <atom id="a10">
        <string builtin="elementType">N</string>
        <float builtin="x2">1.4278</float>
        <float builtin="y2">3.2597</float>
      </atom>
      <atom id="a11">
        <string builtin="elementType">C</string>
        <float builtin="x2">-1.111</float>
        <float builtin="y2">3.0714</float>
      </atom>
      <atom id="a12">
        <string builtin="elementType">C</string>
        <float builtin="x2">-2.4562</float>
        <float builtin="y2">0.7759</float>
      </atom>
      <atom id="a13">
        <string builtin="elementType">C</string>
        <float builtin="x2">2.2037</float>
        <float builtin="y2">-4.2008</float>
      </atom>
      <atom id="a14">
        <string builtin="elementType">C</string>
        <float builtin="x2">-0.4591</float>
        <float builtin="y2">-3.8336</float>
      </atom>
      <atom id="a15">
        <string builtin="elementType">C</string>
        <float builtin="x2">2.9383</float>
        <float builtin="y2">2.9199</float>
      </atom>
      <atom id="a16">
        <string builtin="elementType">C</string>
        <float builtin="x2">1.0743</float>
        <float builtin="y2">4.7839</float>
      </atom>
      <atom id="a17">
        <string builtin="elementType">C</string>
        <float builtin="x2">-2.4562</float>
        <float builtin="y2">2.3093</float>
      </atom>
      <atom id="a18">
        <string builtin="elementType">Cl</string>
        <float builtin="x2">-3.829</float>
        <float builtin="y2">0.0138</float>
      </atom>
      <atom id="a19">
        <string builtin="elementType">C</string>
        <float builtin="x2">0.7483</float>
        <float builtin="y2">-4.7839</float>
      </atom>
      <atom id="a20">
        <string builtin="elementType">O</string>
        <float builtin="x2">3.9162</float>
        <float builtin="y2">4.1457</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>
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        <string builtin="order">2</string>
      </bond>
      <bond id="b4">
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      </bond>
      <bond id="b5">
        <string builtin="atomRef">a2</string>
        <string builtin="atomRef">a6</string>
        <string builtin="order">1</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">a3</string>
        <string builtin="atomRef">a8</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b8">
        <string builtin="atomRef">a4</string>
        <string builtin="atomRef">a9</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b9">
        <string builtin="atomRef">a5</string>
        <string builtin="atomRef">a10</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b10">
        <string builtin="atomRef">a5</string>
        <string builtin="atomRef">a11</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b11">
        <string builtin="atomRef">a6</string>
        <string builtin="atomRef">a12</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b12">
        <string builtin="atomRef">a7</string>
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        <string builtin="order">2</string>
      </bond>
      <bond id="b13">
        <string builtin="atomRef">a8</string>
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        <string builtin="order">1</string>
      </bond>
      <bond id="b14">
        <string builtin="atomRef">a9</string>
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      </bond>
      <bond id="b15">
        <string builtin="atomRef">a10</string>
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        <string builtin="order">1</string>
      </bond>
      <bond id="b16">
        <string builtin="atomRef">a11</string>
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        <string builtin="order">2</string>
      </bond>
      <bond id="b17">
        <string builtin="atomRef">a12</string>
        <string builtin="atomRef">a18</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b18">
        <string builtin="atomRef">a13</string>
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        <string builtin="order">1</string>
      </bond>
      <bond id="b19">
        <string builtin="atomRef">a15</string>
        <string builtin="atomRef">a20</string>
        <string builtin="order">2</string>
      </bond>
      <bond id="b20">
        <string builtin="atomRef">a10</string>
        <string builtin="atomRef">a15</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b21">
        <string builtin="atomRef">a12</string>
        <string builtin="atomRef">a17</string>
        <string builtin="order">1</string>
      </bond>
      <bond id="b22">
        <string builtin="atomRef">a14</string>
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        <string builtin="order">2</string>
      </bond>
    </bondArray>
  </molecule>
  


(C) Æliens 20/2/2008

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