File: RxnNoCoords.mrv.expected.mrv

package info (click to toggle)
rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • 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: 578; xml: 229; fortran: 183; sh: 105
file content (2 lines) | stat: -rw-r--r-- 1,236 bytes parent folder | download | duplicates (4)
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><reaction><reactantList><molecule molID="m1"><atomArray><atom id="a1" elementType="N"/><atom id="a2" elementType="N"/></atomArray><bondArray><bond id="b1" atomRefs2="a1 a2" order="3"/></bondArray></molecule><molecule molID="m2"><atomArray><atom id="a3" elementType="Cl"/></atomArray></molecule></reactantList><productList><molecule molID="m3"><atomArray><atom id="a4" elementType="C"/><atom id="a5" elementType="C"/><atom id="a6" elementType="C"/><atom id="a7" elementType="C"/><atom id="a8" elementType="C"/><atom id="a9" elementType="C"/></atomArray><bondArray><bond id="b2" atomRefs2="a4 a5" order="2"/><bond id="b3" atomRefs2="a5 a6" order="1"/><bond id="b4" atomRefs2="a6 a7" order="2"/><bond id="b5" atomRefs2="a7 a8" order="1"/><bond id="b6" atomRefs2="a8 a9" order="2"/><bond id="b7" atomRefs2="a9 a4" order="1"/></bondArray></molecule></productList><arrow type="" x1="0.00000" y1="0.00000" x2="0.00000" y2="0.00000"/></reaction></MChemicalStruct></MDocument></cml>