<?xml version="1.0"?>
<molecule id="ATAVOJ.search1.log" xmlns="http://www.xml-cml.org/schema">
 <atomArray>
  <atom id="a1" elementType="Ni" hydrogenCount="0" x3="-0.806009" y3="-0.635168" z3="0.134403"/>
  <atom id="a2" elementType="S" hydrogenCount="0" x3="-1.749168" y3="0.651994" z3="-1.466000"/>
  <atom id="a3" elementType="S" hydrogenCount="0" x3="-4.580050" y3="0.036429" z3="0.073998"/>
  <atom id="a4" elementType="S" hydrogenCount="0" x3="-3.559681" y3="1.320250" z3="1.268861"/>
  <atom id="a5" elementType="S" hydrogenCount="0" x3="-1.926308" y3="0.229539" z3="1.879797"/>
  <atom id="a6" elementType="N" hydrogenCount="0" x3="1.734685" y3="-0.366879" z3="1.150037"/>
  <atom id="a7" elementType="N" hydrogenCount="0" x3="0.721495" y3="-1.622279" z3="2.622471"/>
  <atom id="a8" elementType="N" hydrogenCount="0" x3="1.567924" y3="-0.799294" z3="-1.322339"/>
  <atom id="a9" elementType="N" hydrogenCount="0" x3="0.165236" y3="-2.154056" z3="-2.296432"/>
  <atom id="a10" elementType="N" hydrogenCount="0" x3="1.438595" y3="1.584264" z3="-0.494804"/>
  <atom id="a11" elementType="N" hydrogenCount="0" x3="0.330100" y3="3.456700" z3="-0.235599"/>
  <atom id="a12" elementType="B" hydrogenCount="0" x3="2.140746" y3="0.184364" z3="-0.253655"/>
  <atom id="a13" elementType="C" hydrogenCount="0" x3="0.577443" y3="-1.061323" z3="1.384356"/>
  <atom id="a14" elementType="C" hydrogenCount="1" x3="2.561126" y3="-0.438221" z3="2.266140"/>
  <atom id="a15" elementType="H" hydrogenCount="0" x3="3.527526" y3="0.055052" z3="2.300707"/>
  <atom id="a16" elementType="C" hydrogenCount="1" x3="1.932396" y3="-1.213535" z3="3.186215"/>
  <atom id="a17" elementType="H" hydrogenCount="0" x3="2.240226" y3="-1.523711" z3="4.178423"/>
  <atom id="a18" elementType="C" hydrogenCount="0" x3="-0.107079" y3="-2.690047" z3="3.273676"/>
  <atom id="a19" elementType="C" hydrogenCount="3" x3="-1.121079" y3="-3.267452" z3="2.280938"/>
  <atom id="a20" elementType="H" hydrogenCount="0" x3="-1.678277" y3="-4.065287" z3="2.796712"/>
  <atom id="a21" elementType="H" hydrogenCount="0" x3="-1.834563" y3="-2.516690" z3="1.914467"/>
  <atom id="a22" elementType="H" hydrogenCount="0" x3="-0.591090" y3="-3.710314" z3="1.421694"/>
  <atom id="a23" elementType="C" hydrogenCount="3" x3="-0.794490" y3="-2.118067" z3="4.522933"/>
  <atom id="a24" elementType="H" hydrogenCount="0" x3="-1.320451" y3="-2.931806" z3="5.047379"/>
  <atom id="a25" elementType="H" hydrogenCount="0" x3="-0.046704" y3="-1.693032" z3="5.213304"/>
  <atom id="a26" elementType="H" hydrogenCount="0" x3="-1.519565" y3="-1.337794" z3="4.251856"/>
  <atom id="a27" elementType="C" hydrogenCount="3" x3="0.840349" y3="-3.837191" z3="3.688389"/>
  <atom id="a28" elementType="H" hydrogenCount="0" x3="0.228865" y3="-4.682458" z3="4.039747"/>
  <atom id="a29" elementType="H" hydrogenCount="0" x3="1.443490" y3="-4.171546" z3="2.828883"/>
  <atom id="a30" elementType="H" hydrogenCount="0" x3="1.514409" y3="-3.548543" z3="4.508667"/>
  <atom id="a31" elementType="C" hydrogenCount="0" x3="0.318822" y3="-1.336867" z3="-1.217730"/>
  <atom id="a32" elementType="C" hydrogenCount="1" x3="2.169282" y3="-1.230684" z3="-2.498840"/>
  <atom id="a33" elementType="H" hydrogenCount="0" x3="3.165435" y3="-0.911363" z3="-2.789913"/>
  <atom id="a34" elementType="C" hydrogenCount="1" x3="1.298462" y3="-2.078552" z3="-3.108267"/>
  <atom id="a35" elementType="H" hydrogenCount="0" x3="1.386666" y3="-2.639680" z3="-4.032083"/>
  <atom id="a36" elementType="C" hydrogenCount="0" x3="-1.003610" y3="-3.014950" z3="-2.651721"/>
  <atom id="a37" elementType="C" hydrogenCount="3" x3="-2.012150" y3="-3.082089" z3="-1.499192"/>
  <atom id="a38" elementType="H" hydrogenCount="0" x3="-2.807382" y3="-3.785045" z3="-1.794878"/>
  <atom id="a39" elementType="H" hydrogenCount="0" x3="-1.536304" y3="-3.460065" z3="-0.582058"/>
  <atom id="a40" elementType="H" hydrogenCount="0" x3="-2.473118" y3="-2.105806" z3="-1.290886"/>
  <atom id="a41" elementType="C" hydrogenCount="3" x3="-1.673047" y3="-2.437025" z3="-3.909978"/>
  <atom id="a42" elementType="H" hydrogenCount="0" x3="-2.524958" y3="-3.075723" z3="-4.193031"/>
  <atom id="a43" elementType="H" hydrogenCount="0" x3="-2.038571" y3="-1.417753" z3="-3.711368"/>
  <atom id="a44" elementType="H" hydrogenCount="0" x3="-0.966133" y3="-2.409480" z3="-4.755646"/>
  <atom id="a45" elementType="C" hydrogenCount="3" x3="-0.484230" y3="-4.439340" z3="-2.927040"/>
  <atom id="a46" elementType="H" hydrogenCount="0" x3="-1.343645" y3="-5.095283" z3="-3.134834"/>
  <atom id="a47" elementType="H" hydrogenCount="0" x3="0.186148" y3="-4.477052" z3="-3.799139"/>
  <atom id="a48" elementType="H" hydrogenCount="0" x3="0.052737" y3="-4.830065" z3="-2.047310"/>
  <atom id="a49" elementType="C" hydrogenCount="1" x3="0.747260" y3="2.331963" z3="0.369469"/>
  <atom id="a50" elementType="H" hydrogenCount="0" x3="0.533276" y3="2.047610" z3="1.394917"/>
  <atom id="a51" elementType="C" hydrogenCount="1" x3="1.456564" y3="2.251753" z3="-1.705460"/>
  <atom id="a52" elementType="H" hydrogenCount="0" x3="1.965402" y3="1.833300" z3="-2.570229"/>
  <atom id="a53" elementType="C" hydrogenCount="1" x3="0.767662" y3="3.420409" z3="-1.551013"/>
  <atom id="a54" elementType="H" hydrogenCount="0" x3="0.546086" y3="4.218510" z3="-2.251062"/>
  <atom id="a55" elementType="C" hydrogenCount="0" x3="-0.510910" y3="4.552990" z3="0.344360"/>
  <atom id="a56" elementType="C" hydrogenCount="3" x3="-0.816622" y3="4.235485" z3="1.810470"/>
  <atom id="a57" elementType="H" hydrogenCount="0" x3="-1.434175" y3="5.051783" z3="2.212351"/>
  <atom id="a58" elementType="H" hydrogenCount="0" x3="-1.378991" y3="3.292657" z3="1.906911"/>
  <atom id="a59" elementType="H" hydrogenCount="0" x3="0.105586" y3="4.174515" z3="2.411087"/>
  <atom id="a60" elementType="C" hydrogenCount="3" x3="0.281449" y3="5.865062" z3="0.236708"/>
  <atom id="a61" elementType="H" hydrogenCount="0" x3="-0.323047" y3="6.679995" z3="0.663120"/>
  <atom id="a62" elementType="H" hydrogenCount="0" x3="1.227691" y3="5.795835" z3="0.795967"/>
  <atom id="a63" elementType="H" hydrogenCount="0" x3="0.502775" y3="6.116132" z3="-0.812498"/>
  <atom id="a64" elementType="C" hydrogenCount="3" x3="-1.814603" y3="4.628674" z3="-0.467357"/>
  <atom id="a65" elementType="H" hydrogenCount="0" x3="-2.453452" y3="5.415318" z3="-0.037154"/>
  <atom id="a66" elementType="H" hydrogenCount="0" x3="-1.614499" y3="4.887015" z3="-1.519535"/>
  <atom id="a67" elementType="H" hydrogenCount="0" x3="-2.347344" y3="3.664928" z3="-0.428426"/>
  <atom id="a68" elementType="C" hydrogenCount="0" x3="3.752812" y3="0.321241" z3="-0.370658"/>
  <atom id="a69" elementType="C" hydrogenCount="1" x3="4.534284" y3="-0.855745" z3="-0.332356"/>
  <atom id="a70" elementType="H" hydrogenCount="0" x3="4.025154" y3="-1.826554" z3="-0.267545"/>
  <atom id="a71" elementType="C" hydrogenCount="1" x3="5.931202" y3="-0.816453" z3="-0.368656"/>
  <atom id="a72" elementType="H" hydrogenCount="0" x3="6.508080" y3="-1.745299" z3="-0.339038"/>
  <atom id="a73" elementType="C" hydrogenCount="1" x3="6.592093" y3="0.419515" z3="-0.440545"/>
  <atom id="a74" elementType="H" hydrogenCount="0" x3="7.684500" y3="0.458090" z3="-0.470391"/>
  <atom id="a75" elementType="C" hydrogenCount="1" x3="5.844013" y3="1.600948" z3="-0.469603"/>
  <atom id="a76" elementType="H" hydrogenCount="0" x3="6.350959" y3="2.568942" z3="-0.518925"/>
  <atom id="a77" elementType="C" hydrogenCount="1" x3="4.441347" y3="1.546896" z3="-0.432631"/>
  <atom id="a78" elementType="H" hydrogenCount="0" x3="3.879335" y3="2.487488" z3="-0.447676"/>
  <atom id="a79" elementType="S" hydrogenCount="0" x3="-3.743310" y3="0.376944" z3="-1.820816"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a44 a41" order="1"/>
  <bond atomRefs2="a42 a41" order="1"/>
  <bond atomRefs2="a35 a34" order="1"/>
  <bond atomRefs2="a41 a43" order="1"/>
  <bond atomRefs2="a41 a36" order="1"/>
  <bond atomRefs2="a47 a45" order="1"/>
  <bond atomRefs2="a46 a45" order="1"/>
  <bond atomRefs2="a34 a32" order="2"/>
  <bond atomRefs2="a34 a9" order="1"/>
  <bond atomRefs2="a45 a36" order="1"/>
  <bond atomRefs2="a45 a48" order="1"/>
  <bond atomRefs2="a33 a32" order="1"/>
  <bond atomRefs2="a36 a9" order="1"/>
  <bond atomRefs2="a36 a37" order="1"/>
  <bond atomRefs2="a52 a51" order="1"/>
  <bond atomRefs2="a32 a8" order="1"/>
  <bond atomRefs2="a9 a31" order="1"/>
  <bond atomRefs2="a54 a53" order="1"/>
  <bond atomRefs2="a79 a2" order="1"/>
  <bond atomRefs2="a79 a3" order="1"/>
  <bond atomRefs2="a38 a37" order="1"/>
  <bond atomRefs2="a51 a53" order="2"/>
  <bond atomRefs2="a51 a10" order="1"/>
  <bond atomRefs2="a53 a11" order="1"/>
  <bond atomRefs2="a66 a64" order="1"/>
  <bond atomRefs2="a37 a40" order="1"/>
  <bond atomRefs2="a37 a39" order="1"/>
  <bond atomRefs2="a2 a1" order="1"/>
  <bond atomRefs2="a8 a31" order="1"/>
  <bond atomRefs2="a8 a12" order="1"/>
  <bond atomRefs2="a31 a1" order="1"/>
  <bond atomRefs2="a63 a60" order="1"/>
  <bond atomRefs2="a76 a75" order="1"/>
  <bond atomRefs2="a10 a12" order="1"/>
  <bond atomRefs2="a10 a49" order="1"/>
  <bond atomRefs2="a74 a73" order="1"/>
  <bond atomRefs2="a75 a73" order="2"/>
  <bond atomRefs2="a75 a77" order="1"/>
  <bond atomRefs2="a64 a67" order="1"/>
  <bond atomRefs2="a64 a65" order="1"/>
  <bond atomRefs2="a64 a55" order="1"/>
  <bond atomRefs2="a78 a77" order="1"/>
  <bond atomRefs2="a73 a71" order="1"/>
  <bond atomRefs2="a77 a68" order="2"/>
  <bond atomRefs2="a68 a69" order="1"/>
  <bond atomRefs2="a68 a12" order="1"/>
  <bond atomRefs2="a71 a72" order="1"/>
  <bond atomRefs2="a71 a69" order="2"/>
  <bond atomRefs2="a69 a70" order="1"/>
  <bond atomRefs2="a12 a6" order="1"/>
  <bond atomRefs2="a11 a55" order="1"/>
  <bond atomRefs2="a11 a49" order="1"/>
  <bond atomRefs2="a3 a4" order="1"/>
  <bond atomRefs2="a1 a13" order="1"/>
  <bond atomRefs2="a1 a5" order="1"/>
  <bond atomRefs2="a60 a55" order="1"/>
  <bond atomRefs2="a60 a61" order="1"/>
  <bond atomRefs2="a60 a62" order="1"/>
  <bond atomRefs2="a55 a56" order="1"/>
  <bond atomRefs2="a49 a50" order="1"/>
  <bond atomRefs2="a6 a13" order="1"/>
  <bond atomRefs2="a6 a14" order="1"/>
  <bond atomRefs2="a4 a5" order="1"/>
  <bond atomRefs2="a13 a7" order="1"/>
  <bond atomRefs2="a22 a19" order="1"/>
  <bond atomRefs2="a56 a58" order="1"/>
  <bond atomRefs2="a56 a57" order="1"/>
  <bond atomRefs2="a56 a59" order="1"/>
  <bond atomRefs2="a21 a19" order="1"/>
  <bond atomRefs2="a14 a15" order="1"/>
  <bond atomRefs2="a14 a16" order="2"/>
  <bond atomRefs2="a19 a20" order="1"/>
  <bond atomRefs2="a19 a18" order="1"/>
  <bond atomRefs2="a7 a16" order="1"/>
  <bond atomRefs2="a7 a18" order="1"/>
  <bond atomRefs2="a29 a27" order="1"/>
  <bond atomRefs2="a16 a17" order="1"/>
  <bond atomRefs2="a18 a27" order="1"/>
  <bond atomRefs2="a18 a23" order="1"/>
  <bond atomRefs2="a27 a28" order="1"/>
  <bond atomRefs2="a27 a30" order="1"/>
  <bond atomRefs2="a26 a23" order="1"/>
  <bond atomRefs2="a23 a24" order="1"/>
  <bond atomRefs2="a23 a25" order="1"/>
 </bondArray>
</molecule>
