<?xml version="1.0"?>
<molecule id="N3MoS4.log" xmlns="http://www.xml-cml.org/schema">
 <atomArray>
  <atom id="a1" elementType="Mo" hydrogenCount="0" x3="0.015078" y3="0.115671" z3="-0.567705"/>
  <atom id="a2" elementType="S" hydrogenCount="0" x3="1.558246" y3="1.683242" z3="0.090499"/>
  <atom id="a3" elementType="S" hydrogenCount="0" x3="1.528805" y3="-1.616414" z3="-0.464592"/>
  <atom id="a4" elementType="S" hydrogenCount="0" x3="3.553389" y3="0.922298" z3="-0.329604"/>
  <atom id="a5" elementType="S" hydrogenCount="0" x3="3.442397" y3="-0.970555" z3="0.308411"/>
  <atom id="a6" elementType="N" hydrogenCount="0" x3="-1.802436" y3="1.482768" z3="-0.058160"/>
  <atom id="a7" elementType="N" hydrogenCount="0" x3="-1.838237" y3="-1.337791" z3="-0.611804"/>
  <atom id="a8" elementType="O" hydrogenCount="0" x3="-0.251811" y3="0.415564" z3="-2.206038"/>
  <atom id="a9" elementType="N" hydrogenCount="0" x3="-0.648404" y3="-0.342445" z3="1.777153"/>
  <atom id="a10" elementType="C" hydrogenCount="2" x3="-1.723249" y3="1.861164" z3="1.379720"/>
  <atom id="a11" elementType="H" hydrogenCount="0" x3="-0.796777" y3="2.448506" z3="1.504131"/>
  <atom id="a12" elementType="H" hydrogenCount="0" x3="-2.583942" y3="2.502407" z3="1.655614"/>
  <atom id="a13" elementType="C" hydrogenCount="2" x3="-1.681770" y3="0.620068" z3="2.266207"/>
  <atom id="a14" elementType="H" hydrogenCount="0" x3="-2.661978" y3="0.124154" z3="2.298429"/>
  <atom id="a15" elementType="H" hydrogenCount="0" x3="-1.458946" y3="0.920083" z3="3.304102"/>
  <atom id="a16" elementType="C" hydrogenCount="3" x3="-1.571387" y3="-2.452174" z3="-1.556881"/>
  <atom id="a17" elementType="H" hydrogenCount="0" x3="-0.836983" y3="-3.134101" z3="-1.102852"/>
  <atom id="a18" elementType="H" hydrogenCount="0" x3="-1.158733" y3="-2.041901" z3="-2.490079"/>
  <atom id="a19" elementType="H" hydrogenCount="0" x3="-2.506449" y3="-3.005964" z3="-1.768525"/>
  <atom id="a20" elementType="C" hydrogenCount="3" x3="0.511381" y3="-0.300891" z3="2.705810"/>
  <atom id="a21" elementType="H" hydrogenCount="0" x3="0.862758" y3="0.736667" z3="2.794127"/>
  <atom id="a22" elementType="H" hydrogenCount="0" x3="1.327620" y3="-0.919956" z3="2.308790"/>
  <atom id="a23" elementType="H" hydrogenCount="0" x3="0.202885" y3="-0.674233" z3="3.701656"/>
  <atom id="a24" elementType="C" hydrogenCount="2" x3="-2.907634" y3="-0.472181" z3="-1.190443"/>
  <atom id="a25" elementType="H" hydrogenCount="0" x3="-2.592835" y3="-0.218191" z3="-2.214548"/>
  <atom id="a26" elementType="H" hydrogenCount="0" x3="-3.862434" y3="-1.032132" z3="-1.245970"/>
  <atom id="a27" elementType="C" hydrogenCount="2" x3="-3.106884" y3="0.797368" z3="-0.364452"/>
  <atom id="a28" elementType="H" hydrogenCount="0" x3="-3.626971" y3="0.576669" z3="0.577954"/>
  <atom id="a29" elementType="H" hydrogenCount="0" x3="-3.762363" y3="1.487466" z3="-0.920941"/>
  <atom id="a30" elementType="C" hydrogenCount="2" x3="-1.176274" y3="-1.732548" z3="1.762997"/>
  <atom id="a31" elementType="H" hydrogenCount="0" x3="-0.324628" y3="-2.394463" z3="1.536112"/>
  <atom id="a32" elementType="H" hydrogenCount="0" x3="-1.574409" y3="-2.005858" z3="2.761205"/>
  <atom id="a33" elementType="C" hydrogenCount="2" x3="-2.267057" y3="-1.898800" z3="0.708921"/>
  <atom id="a34" elementType="H" hydrogenCount="0" x3="-3.199837" y3="-1.408317" z3="1.022837"/>
  <atom id="a35" elementType="H" hydrogenCount="0" x3="-2.506971" y3="-2.969148" z3="0.596468"/>
  <atom id="a36" elementType="C" hydrogenCount="3" x3="-1.710602" y3="2.719687" z3="-0.878929"/>
  <atom id="a37" elementType="H" hydrogenCount="0" x3="-2.530972" y3="3.411082" z3="-0.608532"/>
  <atom id="a38" elementType="H" hydrogenCount="0" x3="-1.788322" y3="2.445937" z3="-1.940640"/>
  <atom id="a39" elementType="H" hydrogenCount="0" x3="-0.739533" y3="3.203586" z3="-0.700863"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a18 a16" order="1"/>
  <bond atomRefs2="a25 a24" order="1"/>
  <bond atomRefs2="a8 a1" order="1"/>
  <bond atomRefs2="a38 a36" order="1"/>
  <bond atomRefs2="a19 a16" order="1"/>
  <bond atomRefs2="a16 a17" order="1"/>
  <bond atomRefs2="a16 a7" order="1"/>
  <bond atomRefs2="a26 a24" order="1"/>
  <bond atomRefs2="a24 a7" order="1"/>
  <bond atomRefs2="a24 a27" order="1"/>
  <bond atomRefs2="a29 a27" order="1"/>
  <bond atomRefs2="a36 a39" order="1"/>
  <bond atomRefs2="a36 a37" order="1"/>
  <bond atomRefs2="a36 a6" order="1"/>
  <bond atomRefs2="a7 a1" order="1"/>
  <bond atomRefs2="a7 a33" order="1"/>
  <bond atomRefs2="a1 a3" order="1"/>
  <bond atomRefs2="a1 a6" order="1"/>
  <bond atomRefs2="a1 a2" order="1"/>
  <bond atomRefs2="a1 a9" order="1"/>
  <bond atomRefs2="a3 a5" order="1"/>
  <bond atomRefs2="a27 a6" order="1"/>
  <bond atomRefs2="a27 a28" order="1"/>
  <bond atomRefs2="a4 a2" order="1"/>
  <bond atomRefs2="a4 a5" order="1"/>
  <bond atomRefs2="a6 a10" order="1"/>
  <bond atomRefs2="a35 a33" order="1"/>
  <bond atomRefs2="a33 a34" order="1"/>
  <bond atomRefs2="a33 a30" order="1"/>
  <bond atomRefs2="a10 a11" order="1"/>
  <bond atomRefs2="a10 a12" order="1"/>
  <bond atomRefs2="a10 a13" order="1"/>
  <bond atomRefs2="a31 a30" order="1"/>
  <bond atomRefs2="a30 a9" order="1"/>
  <bond atomRefs2="a30 a32" order="1"/>
  <bond atomRefs2="a9 a13" order="1"/>
  <bond atomRefs2="a9 a20" order="1"/>
  <bond atomRefs2="a13 a14" order="1"/>
  <bond atomRefs2="a13 a15" order="1"/>
  <bond atomRefs2="a22 a20" order="1"/>
  <bond atomRefs2="a20 a21" order="1"/>
  <bond atomRefs2="a20 a23" order="1"/>
 </bondArray>
</molecule>
