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Example 2



Graphical representations
(Click on atom will lead you to the source)
mols4 - atoms as text
SVG version
mols4 - atoms as circles
SVG version
mols4 - atoms as 3D circles
SVG version
C C O C O C C C C C C O H H H H H H H H H H H H H H

Source code


<molecule convention="MDLMol" id="mols4" type="">
     <comment>CCOC(=O)C1CCCCC1=O</comment>
     <atomArray>
          <atom id="a1">
               <string builtin="elementType">C</string>
               <integer builtin="hydrogenCount">1</integer>
               <float builtin="x2">-3.69</float>
               <float builtin="y2">0.92</float>
          </atom>
          <atom id="a2">
               <string builtin="elementType">C</string>
               <float builtin="x2">-3.29</float>
               <float builtin="y2">-0.24</float>
          </atom>
          <atom id="a3">
               <string builtin="elementType">O</string>
               <float builtin="x2">-2.03</float>
               <float builtin="y2">-0.08</float>
          </atom>
          <atom id="a4">
               <string builtin="elementType">C</string>
               <float builtin="x2">-1.15</float>
               <float builtin="y2">-0.18</float>
          </atom>
          <atom id="a5">
               <string builtin="elementType">O</string>
               <float builtin="x2">-1.59</float>
               <float builtin="y2">-0.4</float>
          </atom>
          <atom id="a6">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.31</float>
               <float builtin="y2">-0.03</float>
          </atom>
          <atom id="a7">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.99</float>
               <float builtin="y2">0.8</float>
          </atom>
          <atom id="a8">
               <string builtin="elementType">C</string>
               <float builtin="x2">2.46</float>
               <float builtin="y2">0.93</float>
          </atom>
          <atom id="a9">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.05</float>
               <float builtin="y2">-0.09</float>
          </atom>
          <atom id="a10">
               <string builtin="elementType">C</string>
               <float builtin="x2">2.46</float>
               <float builtin="y2">-1.45</float>
          </atom>
          <atom id="a11">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.97</float>
               <float builtin="y2">-1.38</float>
          </atom>
          <atom id="a12">
               <string builtin="elementType">O</string>
               <float builtin="x2">0.31</float>
               <float builtin="y2">-2.42</float>
          </atom>
          <atom id="a13">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.03</float>
               <float builtin="y2">0.98</float>
          </atom>
          <atom id="a14">
               <string builtin="elementType">H</string>
               <float builtin="x2">-4.73</float>
               <float builtin="y2">0.79</float>
          </atom>
          <atom id="a15">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.62</float>
               <float builtin="y2">1.85</float>
          </atom>
          <atom id="a16">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.97</float>
               <float builtin="y2">-0.3</float>
          </atom>
          <atom id="a17">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.39</float>
               <float builtin="y2">-1.18</float>
          </atom>
          <atom id="a18">
               <string builtin="elementType">H</string>
               <float builtin="x2">0.48</float>
               <float builtin="y2">0.46</float>
          </atom>
          <atom id="a19">
               <string builtin="elementType">H</string>
               <float builtin="x2">0.46</float>
               <float builtin="y2">1.77</float>
          </atom>
          <atom id="a20">
               <string builtin="elementType">H</string>
               <float builtin="x2">0.74</float>
               <float builtin="y2">0.3</float>
          </atom>
          <atom id="a21">
               <string builtin="elementType">H</string>
               <float builtin="x2">2.73</float>
               <float builtin="y2">1.95</float>
          </atom>
          <atom id="a22">
               <string builtin="elementType">H</string>
               <float builtin="x2">3.02</float>
               <float builtin="y2">0.9</float>
          </atom>
          <atom id="a23">
               <string builtin="elementType">H</string>
               <float builtin="x2">2.82</float>
               <float builtin="y2">0.15</float>
          </atom>
          <atom id="a24">
               <string builtin="elementType">H</string>
               <float builtin="x2">4.15</float>
               <float builtin="y2">-0.14</float>
          </atom>
          <atom id="a25">
               <string builtin="elementType">H</string>
               <float builtin="x2">2.9</float>
               <float builtin="y2">-2.2</float>
          </atom>
          <atom id="a26">
               <string builtin="elementType">H</string>
               <float builtin="x2">2.67</float>
               <float builtin="y2">-1.71</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">a2</string>
               <string builtin="atomRef">a3</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b3">
               <string builtin="atomRef">a3</string>
               <string builtin="atomRef">a4</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b4">
               <string builtin="atomRef">a4</string>
               <string builtin="atomRef">a5</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b5">
               <string builtin="atomRef">a4</string>
               <string builtin="atomRef">a6</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b6">
               <string builtin="atomRef">a6</string>
               <string builtin="atomRef">a11</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b7">
               <string builtin="atomRef">a6</string>
               <string builtin="atomRef">a7</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b8">
               <string builtin="atomRef">a7</string>
               <string builtin="atomRef">a8</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b9">
               <string builtin="atomRef">a8</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b10">
               <string builtin="atomRef">a9</string>
               <string builtin="atomRef">a10</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b11">
               <string builtin="atomRef">a10</string>
               <string builtin="atomRef">a11</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b12">
               <string builtin="atomRef">a11</string>
               <string builtin="atomRef">a12</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b13">
               <string builtin="atomRef">a13</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b14">
               <string builtin="atomRef">a14</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b15">
               <string builtin="atomRef">a15</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b16">
               <string builtin="atomRef">a16</string>
               <string builtin="atomRef">a2</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b17">
               <string builtin="atomRef">a17</string>
               <string builtin="atomRef">a2</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b18">
               <string builtin="atomRef">a18</string>
               <string builtin="atomRef">a6</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b19">
               <string builtin="atomRef">a19</string>
               <string builtin="atomRef">a7</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b20">
               <string builtin="atomRef">a20</string>
               <string builtin="atomRef">a7</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b21">
               <string builtin="atomRef">a21</string>
               <string builtin="atomRef">a8</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b22">
               <string builtin="atomRef">a22</string>
               <string builtin="atomRef">a8</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b23">
               <string builtin="atomRef">a23</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b24">
               <string builtin="atomRef">a24</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b25">
               <string builtin="atomRef">a25</string>
               <string builtin="atomRef">a10</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b26">
               <string builtin="atomRef">a26</string>
               <string builtin="atomRef">a10</string>
               <string builtin="order">1</string>
          </bond>
     </bondArray>
</molecule>