ZVON > References > CML 1.0 Reference
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Example 6



Graphical representations
(Click on atom will lead you to the source)
mols8 - atoms as text
SVG version
mols8 - atoms as circles
SVG version
mols8 - atoms as 3D circles
SVG version
C C C C C O C O C C C O C C C C C O C C C O C H H H H H H H H H H H H H H H H H H

Source code


<molecule convention="MDLMol" id="mols8" type="">
     <comment>CC(=CCC(OC(=O)C)c1coc(c1)C2=CC(=O)C=CC2=O)C</comment>
     <atomArray>
          <atom id="a1">
               <string builtin="elementType">C</string>
               <integer builtin="hydrogenCount">1</integer>
               <float builtin="x2">-3.79</float>
               <float builtin="y2">-2.12</float>
          </atom>
          <atom id="a2">
               <string builtin="elementType">C</string>
               <float builtin="x2">-3.65</float>
               <float builtin="y2">-1.0</float>
          </atom>
          <atom id="a3">
               <string builtin="elementType">C</string>
               <float builtin="x2">-2.68</float>
               <float builtin="y2">-1.05</float>
          </atom>
          <atom id="a4">
               <string builtin="elementType">C</string>
               <float builtin="x2">-2.55</float>
               <float builtin="y2">0.07</float>
          </atom>
          <atom id="a5">
               <string builtin="elementType">C</string>
               <float builtin="x2">-1.44</float>
               <float builtin="y2">0.99</float>
          </atom>
          <atom id="a6">
               <string builtin="elementType">O</string>
               <float builtin="x2">-1.71</float>
               <float builtin="y2">1.49</float>
          </atom>
          <atom id="a7">
               <string builtin="elementType">C</string>
               <float builtin="x2">-0.7</float>
               <float builtin="y2">2.32</float>
          </atom>
          <atom id="a8">
               <string builtin="elementType">O</string>
               <float builtin="x2">-0.05</float>
               <float builtin="y2">2.89</float>
          </atom>
          <atom id="a9">
               <string builtin="elementType">C</string>
               <integer builtin="hydrogenCount">1</integer>
               <float builtin="x2">-0.36</float>
               <float builtin="y2">2.53</float>
          </atom>
          <atom id="a10">
               <string builtin="elementType">C</string>
               <float builtin="x2">-0.15</float>
               <float builtin="y2">0.21</float>
          </atom>
          <atom id="a11">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.15</float>
               <float builtin="y2">-0.92</float>
          </atom>
          <atom id="a12">
               <string builtin="elementType">O</string>
               <float builtin="x2">1.44</float>
               <float builtin="y2">-1.34</float>
          </atom>
          <atom id="a13">
               <string builtin="elementType">C</string>
               <float builtin="x2">1.93</float>
               <float builtin="y2">-0.47</float>
          </atom>
          <atom id="a14">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.95</float>
               <float builtin="y2">0.49</float>
          </atom>
          <atom id="a15">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.28</float>
               <float builtin="y2">-0.55</float>
          </atom>
          <atom id="a16">
               <string builtin="elementType">C</string>
               <float builtin="x2">4.14</float>
               <float builtin="y2">-1.53</float>
          </atom>
          <atom id="a17">
               <string builtin="elementType">C</string>
               <float builtin="x2">5.49</float>
               <float builtin="y2">-1.6</float>
          </atom>
          <atom id="a18">
               <string builtin="elementType">O</string>
               <float builtin="x2">6.29</float>
               <float builtin="y2">-2.51</float>
          </atom>
          <atom id="a19">
               <string builtin="elementType">C</string>
               <float builtin="x2">5.87</float>
               <float builtin="y2">-0.58</float>
          </atom>
          <atom id="a20">
               <string builtin="elementType">C</string>
               <float builtin="x2">5.0</float>
               <float builtin="y2">0.4</float>
          </atom>
          <atom id="a21">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.66</float>
               <float builtin="y2">0.47</float>
          </atom>
          <atom id="a22">
               <string builtin="elementType">O</string>
               <float builtin="x2">2.85</float>
               <float builtin="y2">1.37</float>
          </atom>
          <atom id="a23">
               <string builtin="elementType">C</string>
               <integer builtin="hydrogenCount">1</integer>
               <float builtin="x2">-4.6</float>
               <float builtin="y2">0.16</float>
          </atom>
          <atom id="a24">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.03</float>
               <float builtin="y2">-2.89</float>
          </atom>
          <atom id="a25">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.63</float>
               <float builtin="y2">-1.73</float>
          </atom>
          <atom id="a26">
               <string builtin="elementType">H</string>
               <float builtin="x2">-4.79</float>
               <float builtin="y2">-2.56</float>
          </atom>
          <atom id="a27">
               <string builtin="elementType">H</string>
               <float builtin="x2">-1.99</float>
               <float builtin="y2">-1.9</float>
          </atom>
          <atom id="a28">
               <string builtin="elementType">H</string>
               <float builtin="x2">-3.49</float>
               <float builtin="y2">0.64</float>
          </atom>
          <atom id="a29">
               <string builtin="elementType">H</string>
               <float builtin="x2">-2.33</float>
               <float builtin="y2">-0.34</float>
          </atom>
          <atom id="a30">
               <string builtin="elementType">H</string>
               <float builtin="x2">-1.34</float>
               <float builtin="y2">1.81</float>
          </atom>
          <atom id="a31">
               <string builtin="elementType">H</string>
               <float builtin="x2">0.52</float>
               <float builtin="y2">3.19</float>
          </atom>
          <atom id="a32">
               <string builtin="elementType">H</string>
               <float builtin="x2">-1.21</float>
               <float builtin="y2">3.0</float>
          </atom>
          <atom id="a33">
               <string builtin="elementType">H</string>
               <float builtin="x2">-0.13</float>
               <float builtin="y2">1.56</float>
          </atom>
          <atom id="a34">
               <string builtin="elementType">H</string>
               <float builtin="x2">-0.51</float>
               <float builtin="y2">-1.4</float>
          </atom>
          <atom id="a35">
               <string builtin="elementType">H</string>
               <float builtin="x2">1.03</float>
               <float builtin="y2">1.31</float>
          </atom>
          <atom id="a36">
               <string builtin="elementType">H</string>
               <float builtin="x2">3.87</float>
               <float builtin="y2">-2.27</float>
          </atom>
          <atom id="a37">
               <string builtin="elementType">H</string>
               <float builtin="x2">6.86</float>
               <float builtin="y2">-0.63</float>
          </atom>
          <atom id="a38">
               <string builtin="elementType">H</string>
               <float builtin="x2">5.28</float>
               <float builtin="y2">1.15</float>
          </atom>
          <atom id="a39">
               <string builtin="elementType">H</string>
               <float builtin="x2">-5.31</float>
               <float builtin="y2">0.02</float>
          </atom>
          <atom id="a40">
               <string builtin="elementType">H</string>
               <float builtin="x2">-4.03</float>
               <float builtin="y2">1.09</float>
          </atom>
          <atom id="a41">
               <string builtin="elementType">H</string>
               <float builtin="x2">-5.14</float>
               <float builtin="y2">0.23</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">2</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">1</string>
          </bond>
          <bond id="b5">
               <string builtin="atomRef">a5</string>
               <string builtin="atomRef">a6</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b6">
               <string builtin="atomRef">a6</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">a5</string>
               <string builtin="atomRef">a10</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b10">
               <string builtin="atomRef">a10</string>
               <string builtin="atomRef">a14</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b11">
               <string builtin="atomRef">a10</string>
               <string builtin="atomRef">a11</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b12">
               <string builtin="atomRef">a11</string>
               <string builtin="atomRef">a12</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b13">
               <string builtin="atomRef">a12</string>
               <string builtin="atomRef">a13</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b14">
               <string builtin="atomRef">a13</string>
               <string builtin="atomRef">a14</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b15">
               <string builtin="atomRef">a13</string>
               <string builtin="atomRef">a15</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b16">
               <string builtin="atomRef">a15</string>
               <string builtin="atomRef">a21</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b17">
               <string builtin="atomRef">a15</string>
               <string builtin="atomRef">a16</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b18">
               <string builtin="atomRef">a16</string>
               <string builtin="atomRef">a17</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b19">
               <string builtin="atomRef">a17</string>
               <string builtin="atomRef">a18</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b20">
               <string builtin="atomRef">a17</string>
               <string builtin="atomRef">a19</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b21">
               <string builtin="atomRef">a19</string>
               <string builtin="atomRef">a20</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b22">
               <string builtin="atomRef">a20</string>
               <string builtin="atomRef">a21</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b23">
               <string builtin="atomRef">a21</string>
               <string builtin="atomRef">a22</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b24">
               <string builtin="atomRef">a2</string>
               <string builtin="atomRef">a23</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b25">
               <string builtin="atomRef">a24</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b26">
               <string builtin="atomRef">a25</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b27">
               <string builtin="atomRef">a26</string>
               <string builtin="atomRef">a1</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b28">
               <string builtin="atomRef">a27</string>
               <string builtin="atomRef">a3</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b29">
               <string builtin="atomRef">a28</string>
               <string builtin="atomRef">a4</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b30">
               <string builtin="atomRef">a29</string>
               <string builtin="atomRef">a4</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b31">
               <string builtin="atomRef">a30</string>
               <string builtin="atomRef">a5</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b32">
               <string builtin="atomRef">a31</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b33">
               <string builtin="atomRef">a32</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b34">
               <string builtin="atomRef">a33</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b35">
               <string builtin="atomRef">a34</string>
               <string builtin="atomRef">a11</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b36">
               <string builtin="atomRef">a35</string>
               <string builtin="atomRef">a14</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b37">
               <string builtin="atomRef">a36</string>
               <string builtin="atomRef">a16</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b38">
               <string builtin="atomRef">a37</string>
               <string builtin="atomRef">a19</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b39">
               <string builtin="atomRef">a38</string>
               <string builtin="atomRef">a20</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b40">
               <string builtin="atomRef">a39</string>
               <string builtin="atomRef">a23</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b41">
               <string builtin="atomRef">a40</string>
               <string builtin="atomRef">a23</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b42">
               <string builtin="atomRef">a41</string>
               <string builtin="atomRef">a23</string>
               <string builtin="order">1</string>
          </bond>
     </bondArray>
</molecule>