File: GenericSgroup.mrv.expected.mrv

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (2 lines) | stat: -rw-r--r-- 2,035 bytes parent folder | download | duplicates (2) 
1
2
 
<?xml version="1.0" encoding="utf-8"?>
<cml xmlns="http://www.chemaxon.com" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_20_20_0.xsd"><MDocument><MChemicalStruct><molecule molID="m1"><atomArray><atom id="a1" elementType="C" x2="-1.91255" y2="2.19865" sgroupRef="sg1"/><atom id="a2" elementType="C" x2="-1.91255" y2="0.658653" sgroupRef="sg1"/><atom id="a3" elementType="N" x2="-0.578871" y2="-0.111347" sgroupRef="sg1"/><atom id="a4" elementType="C" x2="0.754808" y2="0.658653" sgroupRef="sg1"/><atom id="a5" elementType="C" x2="0.754808" y2="2.19865" sgroupRef="sg1"/><atom id="a6" elementType="N" x2="-0.578871" y2="2.96865" sgroupRef="sg1"/><atom id="a7" elementType="C" x2="-0.578871" y2="-1.65135" sgroupRef="sg1"/><atom id="a8" elementType="O" x2="0.754808" y2="-2.42135" sgroupRef="sg1"/><atom id="a9" elementType="O" x2="-1.91255" y2="-2.42135" sgroupRef="sg1"/><atom id="a10" elementType="C" x2="-3.24623" y2="-4.73135" sgroupRef="sg1"/><atom id="a11" elementType="C" x2="-0.578871" y2="-4.73135" sgroupRef="sg1"/><atom id="a12" elementType="C" x2="-0.578871" y2="-3.19135" sgroupRef="sg1"/><atom id="a13" elementType="C" x2="-1.91255" y2="-3.96135" sgroupRef="sg1"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="1"/><bond id="b2" atomRefs2="a6 a1" order="1"/><bond id="b3" atomRefs2="a2 a3" order="1"/><bond id="b4" atomRefs2="a3 a4" order="1"/><bond id="b5" atomRefs2="a3 a7" order="1"/><bond id="b6" atomRefs2="a4 a5" order="1"/><bond id="b7" atomRefs2="a5 a6" order="1"/><bond id="b8" atomRefs2="a7 a8" order="2"/><bond id="b9" atomRefs2="a7 a9" order="1"/><bond id="b10" atomRefs2="a9 a13" order="1"/><bond id="b11" atomRefs2="a13 a10" order="1"/><bond id="b12" atomRefs2="a13 a11" order="1"/><bond id="b13" atomRefs2="a13 a12" order="1"/></bondArray><molecule molID="m2" id="sg1" role="GenericSgroup" atomRefs="a1 a2 a3 a4 a5 a6 a7 a8 a9 a13 a10 a11 a12"/></molecule></MChemicalStruct></MDocument></cml>