File: SgroupExpanded.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 (26 lines) | stat: -rw-r--r-- 1,541 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
<cml xmlns="http://www.chemaxon.com" version="ChemAxon file format v20.9.0, generated by vunknown" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.chemaxon.com http://www.chemaxon.com/marvin/schema/mrvSchema_20_9_0.xsd">
    <MDocument>
        <MChemicalStruct>
            <molecule molID="m4">
                <atomArray>
                    <atom id="a1" elementType="Mg" x2="-6.105" y2="-1.9792" sgroupRef="sg1" sgroupAttachmentPoint="1"/>
                    <atom id="a2" elementType="Br" x2="-7.645" y2="-1.9792" lonePair="3" sgroupRef="sg1"/>
                    <atom id="a3" elementType="C" x2="-5.335" y2="-3.3128"/>
                    <atom id="a4" elementType="C" x2="-6.105" y2="-4.6465"/>
                    <atom id="a5" elementType="C" x2="-3.795" y2="-3.3128"/>
                </atomArray>
                <bondArray>
                    <bond id="b1" atomRefs2="a1 a2" order="1"/>
                    <bond id="b2" atomRefs2="a1 a3" order="1"/>
                    <bond id="b3" atomRefs2="a3 a4" order="1"/>
                    <bond id="b4" atomRefs2="a3 a5" order="1"/>
                </bondArray>
                <molecule molID="m5" id="sg1" role="SuperatomSgroup" atomRefs="a1 a2" title="MgBr" leftName="BrMg">
                    <AttachmentPointArray>
                        <attachmentPoint atom="a1" order="1" bond="b2"/>
                    </AttachmentPointArray>
                </molecule>
            </molecule>
        </MChemicalStruct>
    </MDocument>
</cml>