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| author | Shashank | 2017-05-29 12:40:26 +0530 |
|---|---|---|
| committer | Shashank | 2017-05-29 12:40:26 +0530 |
| commit | 0345245e860375a32c9a437c4a9d9cae807134e9 (patch) | |
| tree | ad51ecbfa7bcd3cc5f09834f1bb8c08feaa526a4 /modules/xml/demos/diazepam.xml | |
| download | scilab_for_xcos_on_cloud-0345245e860375a32c9a437c4a9d9cae807134e9.tar.gz scilab_for_xcos_on_cloud-0345245e860375a32c9a437c4a9d9cae807134e9.tar.bz2 scilab_for_xcos_on_cloud-0345245e860375a32c9a437c4a9d9cae807134e9.zip | |
CMSCOPE changed
Diffstat (limited to 'modules/xml/demos/diazepam.xml')
| -rwxr-xr-x | modules/xml/demos/diazepam.xml | 223 |
1 files changed, 223 insertions, 0 deletions
diff --git a/modules/xml/demos/diazepam.xml b/modules/xml/demos/diazepam.xml new file mode 100755 index 000000000..8bbb13850 --- /dev/null +++ b/modules/xml/demos/diazepam.xml @@ -0,0 +1,223 @@ +<?xml version="1.0"?> +<?xml-stylesheet href="cml.css" type="text/css"?> +<!-- original source: http://www.xml-cml.org/ --> +<cmldoc> + <molecule convention="MDLMol" id="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> +</cmldoc> |