File: SgroupExpanded.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-- 1,160 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="-5.335" y2="-3.3128"/><atom id="a2" elementType="C" x2="-6.105" y2="-4.6465"/><atom id="a3" elementType="C" x2="-3.795" y2="-3.3128"/><atom id="a4" elementType="R" x2="-6.105" y2="-1.9792" sgroupRef="sg1"/></atomArray><bondArray><bond id="b1" atomRefs2="a4 a1" order="1"/><bond id="b2" atomRefs2="a1 a2" order="1"/><bond id="b3" atomRefs2="a1 a3" order="1"/></bondArray><molecule molID="m2" id="sg1" role="SuperatomSgroup" title="MgBr"><atomArray><atom id="a5" elementType="Mg" x2="-6.105" y2="-1.9792" mrvValence="2" sgroupAttachmentPoint="1"/><atom id="a6" elementType="Br" x2="-7.645" y2="-1.9792"/></atomArray><bondArray><bond id="b4" atomRefs2="a5 a6" order="1"/></bondArray><AttachmentPointArray><attachmentPoint atom="a5" order="1" bond="b1"/></AttachmentPointArray></molecule></molecule></MChemicalStruct></MDocument></cml>