topical media & game development
springgraph-sample-MoleculeViewer-cmlfiles-diazepam.xml
<molecule convention="MDLMol" id="diazepam" title="DIAZEPAM">
<date day="22" month="11" year="1995">
</date>
<atomArray>
<atom id="a1">
<string builtin="elementType">C</string>
<float builtin="x2">1.4278</float>
<float builtin="y2">-0.202</float>
</atom>
<atom id="a2">
<string builtin="elementType">C</string>
<float builtin="x2">0.2204</float>
<float builtin="y2">0.7483</float>
</atom>
<atom id="a3">
<string builtin="elementType">C</string>
<float builtin="x2">1.1983</float>
<float builtin="y2">-1.7262</float>
</atom>
<atom id="a4">
<string builtin="elementType">N</string>
<float builtin="x2">2.9383</float>
<float builtin="y2">0.1377</float>
</atom>
<atom id="a5">
<string builtin="elementType">C</string>
<float builtin="x2">0.2204</float>
<float builtin="y2">2.3093</float>
</atom>
<atom id="a6">
<string builtin="elementType">C</string>
<float builtin="x2">-1.111</float>
<float builtin="y2">-0.0138</float>
</atom>
<atom id="a7">
<string builtin="elementType">C</string>
<float builtin="x2">2.4195</float>
<float builtin="y2">-2.6766</float>
</atom>
<atom id="a8">
<string builtin="elementType">C</string>
<float builtin="x2">-0.2433</float>
<float builtin="y2">-2.3093</float>
</atom>
<atom id="a9">
<string builtin="elementType">C</string>
<float builtin="x2">3.604</float>
<float builtin="y2">1.5472</float>
</atom>
<atom id="a10">
<string builtin="elementType">N</string>
<float builtin="x2">1.4278</float>
<float builtin="y2">3.2597</float>
</atom>
<atom id="a11">
<string builtin="elementType">C</string>
<float builtin="x2">-1.111</float>
<float builtin="y2">3.0714</float>
</atom>
<atom id="a12">
<string builtin="elementType">C</string>
<float builtin="x2">-2.4562</float>
<float builtin="y2">0.7759</float>
</atom>
<atom id="a13">
<string builtin="elementType">C</string>
<float builtin="x2">2.2037</float>
<float builtin="y2">-4.2008</float>
</atom>
<atom id="a14">
<string builtin="elementType">C</string>
<float builtin="x2">-0.4591</float>
<float builtin="y2">-3.8336</float>
</atom>
<atom id="a15">
<string builtin="elementType">C</string>
<float builtin="x2">2.9383</float>
<float builtin="y2">2.9199</float>
</atom>
<atom id="a16">
<string builtin="elementType">C</string>
<float builtin="x2">1.0743</float>
<float builtin="y2">4.7839</float>
</atom>
<atom id="a17">
<string builtin="elementType">C</string>
<float builtin="x2">-2.4562</float>
<float builtin="y2">2.3093</float>
</atom>
<atom id="a18">
<string builtin="elementType">Cl</string>
<float builtin="x2">-3.829</float>
<float builtin="y2">0.0138</float>
</atom>
<atom id="a19">
<string builtin="elementType">C</string>
<float builtin="x2">0.7483</float>
<float builtin="y2">-4.7839</float>
</atom>
<atom id="a20">
<string builtin="elementType">O</string>
<float builtin="x2">3.9162</float>
<float builtin="y2">4.1457</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">2</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">2</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">2</string>
</bond>
<bond id="b12">
<string builtin="atomRef">a7</string>
<string builtin="atomRef">a13</string>
<string builtin="order">2</string>
</bond>
<bond id="b13">
<string builtin="atomRef">a8</string>
<string builtin="atomRef">a14</string>
<string builtin="order">1</string>
</bond>
<bond id="b14">
<string builtin="atomRef">a9</string>
<string builtin="atomRef">a15</string>
<string builtin="order">1</string>
</bond>
<bond id="b15">
<string builtin="atomRef">a10</string>
<string builtin="atomRef">a16</string>
<string builtin="order">1</string>
</bond>
<bond id="b16">
<string builtin="atomRef">a11</string>
<string builtin="atomRef">a17</string>
<string builtin="order">2</string>
</bond>
<bond id="b17">
<string builtin="atomRef">a12</string>
<string builtin="atomRef">a18</string>
<string builtin="order">1</string>
</bond>
<bond id="b18">
<string builtin="atomRef">a13</string>
<string builtin="atomRef">a19</string>
<string builtin="order">1</string>
</bond>
<bond id="b19">
<string builtin="atomRef">a15</string>
<string builtin="atomRef">a20</string>
<string builtin="order">2</string>
</bond>
<bond id="b20">
<string builtin="atomRef">a10</string>
<string builtin="atomRef">a15</string>
<string builtin="order">1</string>
</bond>
<bond id="b21">
<string builtin="atomRef">a12</string>
<string builtin="atomRef">a17</string>
<string builtin="order">1</string>
</bond>
<bond id="b22">
<string builtin="atomRef">a14</string>
<string builtin="atomRef">a19</string>
<string builtin="order">2</string>
</bond>
</bondArray>
</molecule>
(C) Æliens
20/2/2008
You may not copy or print any of this material without explicit permission of the author or the publisher.
In case of other copyright issues, contact the author.