<molecule convention="MDLMol" id="ketanseri" title="KETANSERIN">
  <date day="23" month="11" year="1995">
  </date>
  <atomArray>
    <atom id="a1">
      <string builtin="elementType">C</string>
      <float builtin="x2">-6.3901</float>
      <float builtin="y2">2.9666</float>
    </atom>
    <atom id="a2">
      <string builtin="elementType">C</string>
      <float builtin="x2">-6.3901</float>
      <float builtin="y2">1.2443</float>
    </atom>
    <atom id="a3">
      <string builtin="elementType">N</string>
      <float builtin="x2">-5.1528</float>
      <float builtin="y2">3.768</float>
    </atom>
    <atom id="a4">
      <string builtin="elementType">C</string>
      <float builtin="x2">-7.6203</float>
      <float builtin="y2">3.768</float>
    </atom>
    <atom id="a5">
      <string builtin="elementType">C</string>
      <float builtin="x2">-5.1528</float>
      <float builtin="y2">0.4499</float>
    </atom>
    <atom id="a6">
      <string builtin="elementType">C</string>
      <float builtin="x2">-7.6203</float>
      <float builtin="y2">0.4499</float>
    </atom>
    <atom id="a7">
      <string builtin="elementType">C</string>
      <float builtin="x2">-3.9156</float>
      <float builtin="y2">2.9666</float>
    </atom>
    <atom id="a8">
      <string builtin="elementType">C</string>
      <float builtin="x2">-8.8575</float>
      <float builtin="y2">2.9666</float>
    </atom>
    <atom id="a9">
      <string builtin="elementType">N</string>
      <float builtin="x2">-3.9156</float>
      <float builtin="y2">1.2443</float>
    </atom>
    <atom id="a10">
      <string builtin="elementType">O</string>
      <float builtin="x2">-5.1528</float>
      <float builtin="y2">-1.1459</float>
    </atom>
    <atom id="a11">
      <string builtin="elementType">C</string>
      <float builtin="x2">-8.8575</float>
      <float builtin="y2">1.2443</float>
    </atom>
    <atom id="a12">
      <string builtin="elementType">O</string>
      <float builtin="x2">-2.6854</float>
      <float builtin="y2">3.768</float>
    </atom>
    <atom id="a13">
      <string builtin="elementType">C</string>
      <float builtin="x2">-2.6854</float>
      <float builtin="y2">0.4499</float>
    </atom>
    <atom id="a14">
      <string builtin="elementType">C</string>
      <float builtin="x2">-1.2654</float>
      <float builtin="y2">1.4833</float>
    </atom>
    <atom id="a15">
      <string builtin="elementType">N</string>
      <float builtin="x2">0.0984</float>
      <float builtin="y2">0.5624</float>
    </atom>
    <atom id="a16">
      <string builtin="elementType">C</string>
      <float builtin="x2">1.3286</float>
      <float builtin="y2">1.3638</float>
    </atom>
    <atom id="a17">
      <string builtin="elementType">C</string>
      <float builtin="x2">0.0984</float>
      <float builtin="y2">-1.1459</float>
    </atom>
    <atom id="a18">
      <string builtin="elementType">C</string>
      <float builtin="x2">2.5659</float>
      <float builtin="y2">0.5624</float>
    </atom>
    <atom id="a19">
      <string builtin="elementType">C</string>
      <float builtin="x2">1.3778</float>
      <float builtin="y2">-1.9473</float>
    </atom>
    <atom id="a20">
      <string builtin="elementType">C</string>
      <float builtin="x2">2.5659</float>
      <float builtin="y2">-1.1459</float>
    </atom>
    <atom id="a21">
      <string builtin="elementType">C</string>
      <float builtin="x2">3.8523</float>
      <float builtin="y2">-1.9473</float>
    </atom>
    <atom id="a22">
      <string builtin="elementType">C</string>
      <float builtin="x2">5.0404</float>
      <float builtin="y2">-1.2583</float>
    </atom>
    <atom id="a23">
      <string builtin="elementType">O</string>
      <float builtin="x2">3.8523</float>
      <float builtin="y2">-3.6625</float>
    </atom>
    <atom id="a24">
      <string builtin="elementType">C</string>
      <float builtin="x2">6.2776</float>
      <float builtin="y2">-2.0597</float>
    </atom>
    <atom id="a25">
      <string builtin="elementType">C</string>
      <float builtin="x2">5.0404</float>
      <float builtin="y2">0.4499</float>
    </atom>
    <atom id="a26">
      <string builtin="elementType">C</string>
      <float builtin="x2">7.5149</float>
      <float builtin="y2">-1.2583</float>
    </atom>
    <atom id="a27">
      <string builtin="elementType">C</string>
      <float builtin="x2">6.2776</float>
      <float builtin="y2">1.2443</float>
    </atom>
    <atom id="a28">
      <string builtin="elementType">C</string>
      <float builtin="x2">7.5149</float>
      <float builtin="y2">0.4499</float>
    </atom>
    <atom id="a29">
      <string builtin="elementType">F</string>
      <float builtin="x2">8.7451</float>
      <float builtin="y2">1.2443</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>
      <string builtin="atomRef">a4</string>
      <string builtin="order">2</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">2</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">a4</string>
      <string builtin="atomRef">a8</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b8">
      <string builtin="atomRef">a5</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">2</string>
    </bond>
    <bond id="b10">
      <string builtin="atomRef">a6</string>
      <string builtin="atomRef">a11</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b11">
      <string builtin="atomRef">a7</string>
      <string builtin="atomRef">a12</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b12">
      <string builtin="atomRef">a9</string>
      <string builtin="atomRef">a13</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b13">
      <string builtin="atomRef">a13</string>
      <string builtin="atomRef">a14</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b14">
      <string builtin="atomRef">a14</string>
      <string builtin="atomRef">a15</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b15">
      <string builtin="atomRef">a15</string>
      <string builtin="atomRef">a16</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b16">
      <string builtin="atomRef">a15</string>
      <string builtin="atomRef">a17</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b17">
      <string builtin="atomRef">a16</string>
      <string builtin="atomRef">a18</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b18">
      <string builtin="atomRef">a17</string>
      <string builtin="atomRef">a19</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b19">
      <string builtin="atomRef">a18</string>
      <string builtin="atomRef">a20</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b20">
      <string builtin="atomRef">a20</string>
      <string builtin="atomRef">a21</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b21">
      <string builtin="atomRef">a21</string>
      <string builtin="atomRef">a22</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b22">
      <string builtin="atomRef">a21</string>
      <string builtin="atomRef">a23</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b23">
      <string builtin="atomRef">a22</string>
      <string builtin="atomRef">a24</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b24">
      <string builtin="atomRef">a22</string>
      <string builtin="atomRef">a25</string>
      <string builtin="order">1</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">a25</string>
      <string builtin="atomRef">a27</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b27">
      <string builtin="atomRef">a26</string>
      <string builtin="atomRef">a28</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b28">
      <string builtin="atomRef">a28</string>
      <string builtin="atomRef">a29</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b29">
      <string builtin="atomRef">a7</string>
      <string builtin="atomRef">a9</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b30">
      <string builtin="atomRef">a8</string>
      <string builtin="atomRef">a11</string>
      <string builtin="order">2</string>
    </bond>
    <bond id="b31">
      <string builtin="atomRef">a19</string>
      <string builtin="atomRef">a20</string>
      <string builtin="order">1</string>
    </bond>
    <bond id="b32">
      <string builtin="atomRef">a27</string>
      <string builtin="atomRef">a28</string>
      <string builtin="order">1</string>
    </bond>
  </bondArray>
</molecule>
