topical media & game development
springgraph-sample-MoleculeViewer-cmlfiles-kainate.xml
<molecule convention="MDLMol" id="kainate" title="KAINATE">
<date day="23" month="11" year="1995">
</date>
<atomArray>
<atom id="a1">
<string builtin="elementType">C</string>
<float builtin="x2">0.122</float>
<float builtin="y2">-0.9535</float>
</atom>
<atom id="a2">
<string builtin="elementType">C</string>
<float builtin="x2">1.331</float>
<float builtin="y2">-1.7353</float>
</atom>
<atom id="a3">
<string builtin="elementType">C</string>
<float builtin="x2">-1.0793</float>
<float builtin="y2">-1.7353</float>
</atom>
<atom id="a4">
<string builtin="elementType">C</string>
<float builtin="x2">0.122</float>
<float builtin="y2">0.7208</float>
</atom>
<atom id="a5">
<string builtin="elementType">C</string>
<float builtin="x2">1.331</float>
<float builtin="y2">-3.299</float>
</atom>
<atom id="a6">
<string builtin="elementType">C</string>
<float builtin="x2">2.5362</float>
<float builtin="y2">-0.9535</float>
</atom>
<atom id="a7">
<string builtin="elementType">N</string>
<float builtin="x2">-1.0793</float>
<float builtin="y2">-3.299</float>
</atom>
<atom id="a8">
<string builtin="elementType">C</string>
<float builtin="x2">-2.2845</float>
<float builtin="y2">-0.9535</float>
</atom>
<atom id="a9">
<string builtin="elementType">C</string>
<float builtin="x2">1.106</float>
<float builtin="y2">2.0595</float>
</atom>
<atom id="a10">
<string builtin="elementType">C</string>
<float builtin="x2">2.5362</float>
<float builtin="y2">0.7208</float>
</atom>
<atom id="a11">
<string builtin="elementType">C</string>
<float builtin="x2">3.7452</float>
<float builtin="y2">-1.7353</float>
</atom>
<atom id="a12">
<string builtin="elementType">O</string>
<float builtin="x2">-2.2845</float>
<float builtin="y2">0.7208</float>
</atom>
<atom id="a13">
<string builtin="elementType">O</string>
<float builtin="x2">-3.5393</float>
<float builtin="y2">-1.7353</float>
</atom>
<atom id="a14">
<string builtin="elementType">O</string>
<float builtin="x2">0.122</float>
<float builtin="y2">3.4058</float>
</atom>
<atom id="a15">
<string builtin="elementType">O</string>
<float builtin="x2">2.3112</float>
<float builtin="y2">2.0595</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">1</string>
<string builtin="stereo">H</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>
<string builtin="stereo">H</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>
<string builtin="stereo">W</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">a6</string>
<string builtin="atomRef">a10</string>
<string builtin="order">1</string>
</bond>
<bond id="b10">
<string builtin="atomRef">a6</string>
<string builtin="atomRef">a11</string>
<string builtin="order">2</string>
</bond>
<bond id="b11">
<string builtin="atomRef">a8</string>
<string builtin="atomRef">a12</string>
<string builtin="order">1</string>
</bond>
<bond id="b12">
<string builtin="atomRef">a8</string>
<string builtin="atomRef">a13</string>
<string builtin="order">2</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">a9</string>
<string builtin="atomRef">a15</string>
<string builtin="order">2</string>
</bond>
<bond id="b15">
<string builtin="atomRef">a5</string>
<string builtin="atomRef">a7</string>
<string builtin="order">1</string>
</bond>
</bondArray>
</molecule>
(C) Æliens
20/2/2008
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