ZVON
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CML 1.0 Reference
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ZVON
Example 4
Graphical representations
Source code
Graphical representations
(Click on atom will lead you to the source)
SVG version
SVG version
SVG version
Source code
<
molecule
convention
="MDLMol"
id
="mols6"
type
="">
<
comment
>COc1ccc(CCCN)cc1OC</
comment
>
<
atomArray
>
<
atom
id
="a1">
<
string
builtin
="elementType">C</
string
>
<
integer
builtin
="hydrogenCount">1</
integer
>
<
float
builtin
="x2">-4.33</
float
>
<
float
builtin
="y2">-0.97</
float
>
</
atom
>
<
atom
id
="a2">
<
string
builtin
="elementType">O</
string
>
<
float
builtin
="x2">-3.44</
float
>
<
float
builtin
="y2">-1.96</
float
>
</
atom
>
<
atom
id
="a3">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">-2.13</
float
>
<
float
builtin
="y2">-1.49</
float
>
</
atom
>
<
atom
id
="a4">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">-1.1</
float
>
<
float
builtin
="y2">-2.42</
float
>
</
atom
>
<
atom
id
="a5">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">0.23</
float
>
<
float
builtin
="y2">-2.0</
float
>
</
atom
>
<
atom
id
="a6">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">0.53</
float
>
<
float
builtin
="y2">-0.64</
float
>
</
atom
>
<
atom
id
="a7">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">1.95</
float
>
<
float
builtin
="y2">-0.16</
float
>
</
atom
>
<
atom
id
="a8">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">2.3</
float
>
<
float
builtin
="y2">0.65</
float
>
</
atom
>
<
atom
id
="a9">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">3.71</
float
>
<
float
builtin
="y2">1.16</
float
>
</
atom
>
<
atom
id
="a10">
<
string
builtin
="elementType">N</
string
>
<
float
builtin
="x2">4.64</
float
>
<
float
builtin
="y2">0.05</
float
>
</
atom
>
<
atom
id
="a11">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">-0.5</
float
>
<
float
builtin
="y2">0.3</
float
>
</
atom
>
<
atom
id
="a12">
<
string
builtin
="elementType">C</
string
>
<
float
builtin
="x2">-1.83</
float
>
<
float
builtin
="y2">-0.12</
float
>
</
atom
>
<
atom
id
="a13">
<
string
builtin
="elementType">O</
string
>
<
float
builtin
="x2">-2.86</
float
>
<
float
builtin
="y2">0.81</
float
>
</
atom
>
<
atom
id
="a14">
<
string
builtin
="elementType">C</
string
>
<
integer
builtin
="hydrogenCount">1</
integer
>
<
float
builtin
="x2">-2.38</
float
>
<
float
builtin
="y2">2.07</
float
>
</
atom
>
<
atom
id
="a15">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-5.34</
float
>
<
float
builtin
="y2">-1.4</
float
>
</
atom
>
<
atom
id
="a16">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-4.11</
float
>
<
float
builtin
="y2">-0.41</
float
>
</
atom
>
<
atom
id
="a17">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-4.29</
float
>
<
float
builtin
="y2">-0.29</
float
>
</
atom
>
<
atom
id
="a18">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-1.34</
float
>
<
float
builtin
="y2">-3.5</
float
>
</
atom
>
<
atom
id
="a19">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">1.03</
float
>
<
float
builtin
="y2">-2.74</
float
>
</
atom
>
<
atom
id
="a20">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">2.06</
float
>
<
float
builtin
="y2">0.45</
float
>
</
atom
>
<
atom
id
="a21">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">2.61</
float
>
<
float
builtin
="y2">-1.04</
float
>
</
atom
>
<
atom
id
="a22">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">1.61</
float
>
<
float
builtin
="y2">1.51</
float
>
</
atom
>
<
atom
id
="a23">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">2.2</
float
>
<
float
builtin
="y2">0.03</
float
>
</
atom
>
<
atom
id
="a24">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">3.93</
float
>
<
float
builtin
="y2">1.78</
float
>
</
atom
>
<
atom
id
="a25">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">3.81</
float
>
<
float
builtin
="y2">1.78</
float
>
</
atom
>
<
atom
id
="a26">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">4.5</
float
>
<
float
builtin
="y2">-0.48</
float
>
</
atom
>
<
atom
id
="a27">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">5.58</
float
>
<
float
builtin
="y2">0.38</
float
>
</
atom
>
<
atom
id
="a28">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-0.25</
float
>
<
float
builtin
="y2">1.37</
float
>
</
atom
>
<
atom
id
="a29">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-1.87</
float
>
<
float
builtin
="y2">2.3</
float
>
</
atom
>
<
atom
id
="a30">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-3.23</
float
>
<
float
builtin
="y2">2.77</
float
>
</
atom
>
<
atom
id
="a31">
<
string
builtin
="elementType">H</
string
>
<
float
builtin
="x2">-1.69</
float
>
<
float
builtin
="y2">2.19</
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">a12</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b4">
<
string
builtin
="atomRef">a3</
string
>
<
string
builtin
="atomRef">a4</
string
>
<
string
builtin
="order">2</
string
>
</
bond
>
<
bond
id
="b5">
<
string
builtin
="atomRef">a4</
string
>
<
string
builtin
="atomRef">a5</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b6">
<
string
builtin
="atomRef">a5</
string
>
<
string
builtin
="atomRef">a6</
string
>
<
string
builtin
="order">2</
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">a6</
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">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">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">a1</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b17">
<
string
builtin
="atomRef">a17</
string
>
<
string
builtin
="atomRef">a1</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b18">
<
string
builtin
="atomRef">a18</
string
>
<
string
builtin
="atomRef">a4</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b19">
<
string
builtin
="atomRef">a19</
string
>
<
string
builtin
="atomRef">a5</
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">a7</
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">a8</
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">a9</
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
>
<
bond
id
="b27">
<
string
builtin
="atomRef">a27</
string
>
<
string
builtin
="atomRef">a10</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b28">
<
string
builtin
="atomRef">a28</
string
>
<
string
builtin
="atomRef">a11</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b29">
<
string
builtin
="atomRef">a29</
string
>
<
string
builtin
="atomRef">a14</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b30">
<
string
builtin
="atomRef">a30</
string
>
<
string
builtin
="atomRef">a14</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
<
bond
id
="b31">
<
string
builtin
="atomRef">a31</
string
>
<
string
builtin
="atomRef">a14</
string
>
<
string
builtin
="order">1</
string
>
</
bond
>
</
bondArray
>
</
molecule
>