ZVON > References > CML 1.0 Reference
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Example 7



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

Source code


<molecule convention="MDLMol" id="yohimbine" title="YOHIMBINE">
     <date day="23" month="11" year="1995"> </date>
     <atomArray>
          <atom id="a1">
               <string builtin="elementType">C</string>
               <float builtin="x2">-0.4699</float>
               <float builtin="y2">2.1336</float>
          </atom>
          <atom id="a2">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.6808</float>
               <float builtin="y2">1.2945</float>
          </atom>
          <atom id="a3">
               <string builtin="elementType">C</string>
               <float builtin="x2">-0.4507</float>
               <float builtin="y2">3.5768</float>
          </atom>
          <atom id="a4">
               <string builtin="elementType">N</string>
               <float builtin="x2">-1.7261</float>
               <float builtin="y2">1.5582</float>
          </atom>
          <atom id="a5">
               <string builtin="elementType">N</string>
               <float builtin="x2">2.1144</float>
               <float builtin="y2">1.9466</float>
          </atom>
          <atom id="a6">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.6808</float>
               <float builtin="y2">-0.3692</float>
          </atom>
          <atom id="a7">
               <string builtin="elementType">C</string>
               <float builtin="x2">-2.2151</float>
               <float builtin="y2">3.9699</float>
          </atom>
          <atom id="a8">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.7911</float>
               <float builtin="y2">4.3343</float>
          </atom>
          <atom id="a9">
               <string builtin="elementType">C</string>
               <float builtin="x2">-2.7521</float>
               <float builtin="y2">2.4788</float>
          </atom>
          <atom id="a10">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.1453</float>
               <float builtin="y2">1.2034</float>
          </atom>
          <atom id="a11">
               <string builtin="elementType">C</string>
               <float builtin="x2">2.1</float>
               <float builtin="y2">3.6199</float>
          </atom>
          <atom id="a12">
               <string builtin="elementType">C</string>
               <float builtin="x2">1.774</float>
               <float builtin="y2">-1.074</float>
          </atom>
          <atom id="a13">
               <string builtin="elementType">C</string>
               <float builtin="x2">-3.1932</float>
               <float builtin="y2">4.9145</float>
          </atom>
          <atom id="a14">
               <string builtin="elementType">C</string>
               <float builtin="x2">-4.2624</float>
               <float builtin="y2">2.0857</float>
          </atom>
          <atom id="a15">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.1453</float>
               <float builtin="y2">-0.5226</float>
          </atom>
          <atom id="a16">
               <string builtin="elementType">C</string>
               <float builtin="x2">1.7884</float>
               <float builtin="y2">-2.7281</float>
          </atom>
          <atom id="a17">
               <string builtin="elementType">C</string>
               <float builtin="x2">-4.7035</float>
               <float builtin="y2">4.5645</float>
          </atom>
          <atom id="a18">
               <string builtin="elementType">C</string>
               <float builtin="x2">-5.2357</float>
               <float builtin="y2">3.0302</float>
          </atom>
          <atom id="a19">
               <string builtin="elementType">C</string>
               <float builtin="x2">4.3535</float>
               <float builtin="y2">-1.2034</float>
          </atom>
          <atom id="a20">
               <string builtin="elementType">C</string>
               <float builtin="x2">3.0302</float>
               <float builtin="y2">-3.5768</float>
          </atom>
          <atom id="a21">
               <string builtin="elementType">C</string>
               <float builtin="x2">0.4267</float>
               <float builtin="y2">-3.4473</float>
          </atom>
          <atom id="a22">
               <string builtin="elementType">C</string>
               <float builtin="x2">4.3535</float>
               <float builtin="y2">-2.9391</float>
          </atom>
          <atom id="a23">
               <string builtin="elementType">O</string>
               <float builtin="x2">3.0062</float>
               <float builtin="y2">-5.3124</float>
          </atom>
          <atom id="a24">
               <string builtin="elementType">O</string>
               <float builtin="x2">-0.887</float>
               <float builtin="y2">-2.685</float>
          </atom>
          <atom id="a25">
               <string builtin="elementType">O</string>
               <float builtin="x2">0.4267</float>
               <float builtin="y2">-5.0679</float>
          </atom>
          <atom id="a26">
               <string builtin="elementType">C</string>
               <float builtin="x2">-2.0809</float>
               <float builtin="y2">-3.6487</float>
          </atom>
          <atom id="a27">
               <string builtin="elementType">H</string>
               <float builtin="x2">-0.513</float>
               <float builtin="y2">0.5706</float>
          </atom>
          <atom id="a28">
               <string builtin="elementType">H</string>
               <float builtin="x2">0.4027</float>
               <float builtin="y2">-1.774</float>
          </atom>
          <atom id="a29">
               <string builtin="elementType">H</string>
               <float builtin="x2">4.8857</float>
               <float builtin="y2">0.139</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">2</string>
          </bond>
          <bond id="b3">
               <string builtin="atomRef">a1</string>
               <string builtin="atomRef">a4</string>
               <string builtin="order">1</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">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">1</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">1</string>
          </bond>
          <bond id="b12">
               <string builtin="atomRef">a7</string>
               <string builtin="atomRef">a13</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b13">
               <string builtin="atomRef">a9</string>
               <string builtin="atomRef">a14</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b14">
               <string builtin="atomRef">a10</string>
               <string builtin="atomRef">a15</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b15">
               <string builtin="atomRef">a12</string>
               <string builtin="atomRef">a16</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b16">
               <string builtin="atomRef">a13</string>
               <string builtin="atomRef">a17</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b17">
               <string builtin="atomRef">a14</string>
               <string builtin="atomRef">a18</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b18">
               <string builtin="atomRef">a15</string>
               <string builtin="atomRef">a19</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b19">
               <string builtin="atomRef">a16</string>
               <string builtin="atomRef">a20</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b20">
               <string builtin="atomRef">a16</string>
               <string builtin="atomRef">a21</string>
               <string builtin="order">1</string>
               <string builtin="stereo">H</string>
          </bond>
          <bond id="b21">
               <string builtin="atomRef">a19</string>
               <string builtin="atomRef">a22</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b22">
               <string builtin="atomRef">a20</string>
               <string builtin="atomRef">a23</string>
               <string builtin="order">1</string>
               <string builtin="stereo">H</string>
          </bond>
          <bond id="b23">
               <string builtin="atomRef">a21</string>
               <string builtin="atomRef">a24</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b24">
               <string builtin="atomRef">a21</string>
               <string builtin="atomRef">a25</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b25">
               <string builtin="atomRef">a24</string>
               <string builtin="atomRef">a26</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b26">
               <string builtin="atomRef">a7</string>
               <string builtin="atomRef">a9</string>
               <string builtin="order">2</string>
          </bond>
          <bond id="b27">
               <string builtin="atomRef">a8</string>
               <string builtin="atomRef">a11</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b28">
               <string builtin="atomRef">a12</string>
               <string builtin="atomRef">a15</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b29">
               <string builtin="atomRef">a17</string>
               <string builtin="atomRef">a18</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b30">
               <string builtin="atomRef">a20</string>
               <string builtin="atomRef">a22</string>
               <string builtin="order">1</string>
          </bond>
          <bond id="b31">
               <string builtin="atomRef">a2</string>
               <string builtin="atomRef">a27</string>
               <string builtin="order">1</string>
               <string builtin="stereo">H</string>
          </bond>
          <bond id="b32">
               <string builtin="atomRef">a12</string>
               <string builtin="atomRef">a28</string>
               <string builtin="order">1</string>
               <string builtin="stereo">H</string>
          </bond>
          <bond id="b33">
               <string builtin="atomRef">a15</string>
               <string builtin="atomRef">a29</string>
               <string builtin="order">1</string>
               <string builtin="stereo">W</string>
          </bond>
     </bondArray>
</molecule>