<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:t="http://www.iochem-bd.org/dictionary/turbomole/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="turbomole.job.last">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Memory allocated for RI-J   700 MByte</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="t:atoms">
                  <list cmlx:templateRef="atoms">
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">c</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">1-4,9-10,12,14-17,19,21-22,24,26,30-31,33,35-38,40,42-43,45,47,51-52,54,</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">c</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">n</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">5-8,93-96,189-192,197-200,249-251,263,268</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">n</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">h</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">11,13,18,20,23,25,27-29,32,34,39,41,44,46,48-50,53,55,60,62,65,67,69-71,74,</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">h</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="atomdef">
                        <list dictRef="t:atom">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">o</scalar>
                           <scalar dataType="xsd:string" dictRef="t:atomrange">257,271</scalar>
                        </list>
                        <list dictRef="t:basis">
                           <scalar dataType="xsd:string" dictRef="cc:elementType">o</scalar>
                           <scalar dataType="xsd:string" dictRef="t:basis">def2-TZVP</scalar>
                        </list>
                     </module>
                  </list>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">dft</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">b-p</scalar>
               </parameter>
               <parameter dictRef="t:dftgridsize">
                  <scalar dataType="xsd:string">m3</scalar>
               </parameter>
               <parameter dictRef="t:ri">
                  <scalar dataType="xsd:string">rij</scalar>
               </parameter>
               <parameter dictRef="t:basis">
                  <list id="turbomole.basis">
                     <array dataType="xsd:string" dictRef="cc:elementType" size="4">c n h o</array>
                     <array dataType="xsd:string" dictRef="cc:basis" size="4">def2-TZVP def2-TZVP def2-TZVP def2-TZVP</array>
                     <array dataType="xsd:string" dictRef="cc:contraction" size="4">5s3p2d1f 5s3p2d1f 3s1p 5s3p2d1f</array>
                  </list>
               </parameter>
            </parameterList>
            <molecule id="initial">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-1.51114135"
                        y3="-4.21832041"
                        z3="-1.15582683"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-4.39835076"
                        y3="-2.89839605"
                        z3="3.04059931"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-6.34376896"
                        y3="2.3598089"
                        z3="1.45769942"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.19918701"
                        y3="1.02842919"
                        z3="-3.01422976"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-2.03036154"
                        y3="-3.86767469"
                        z3="-2.28233236"/>
                  <atom elementType="N"
                        id="a6"
                        x3="-4.28051571"
                        y3="-4.09314874"
                        z3="2.56897396"/>
                  <atom elementType="N"
                        id="a7"
                        x3="-6.71534959"
                        y3="1.27993696"
                        z3="2.0614243"/>
                  <atom elementType="N"
                        id="a8"
                        x3="-5.30657464"
                        y3="1.67341635"
                        z3="-3.17180558"/>
                  <atom elementType="C"
                        id="a9"
                        x3="5.3301317"
                        y3="7.63234929"
                        z3="2.52035099"/>
                  <atom elementType="C"
                        id="a10"
                        x3="6.21595815"
                        y3="8.44692836"
                        z3="1.82894353"/>
                  <atom elementType="H"
                        id="a11"
                        x3="6.32415563"
                        y3="9.5188944"
                        z3="1.95175509"/>
                  <atom elementType="C"
                        id="a12"
                        x3="6.95336164"
                        y3="7.62229893"
                        z3="0.92902347"/>
                  <atom elementType="H"
                        id="a13"
                        x3="7.72260367"
                        y3="7.95187601"
                        z3="0.23932684"/>
                  <atom elementType="C"
                        id="a14"
                        x3="6.50392734"
                        y3="6.31976791"
                        z3="1.08969149"/>
                  <atom elementType="C"
                        id="a15"
                        x3="6.83456824"
                        y3="5.04403609"
                        z3="0.33821338"/>
                  <atom elementType="C"
                        id="a16"
                        x3="5.51960707"
                        y3="4.41308544"
                        z3="-0.15837852"/>
                  <atom elementType="C"
                        id="a17"
                        x3="5.29661165"
                        y3="3.03196951"
                        z3="-0.18689637"/>
                  <atom elementType="H"
                        id="a18"
                        x3="6.05865226"
                        y3="2.35676595"
                        z3="0.19831854"/>
                  <atom elementType="C"
                        id="a19"
                        x3="4.10881751"
                        y3="2.51211525"
                        z3="-0.69624553"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.93435492"
                        y3="1.43532284"
                        z3="-0.70853297"/>
                  <atom elementType="C"
                        id="a21"
                        x3="3.09681259"
                        y3="3.36108795"
                        z3="-1.17435664"/>
                  <atom elementType="C"
                        id="a22"
                        x3="3.33557684"
                        y3="4.75048492"
                        z3="-1.18313027"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.59503987"
                        y3="5.42967617"
                        z3="-1.606393"/>
                  <atom elementType="C"
                        id="a24"
                        x3="4.52303466"
                        y3="5.25700526"
                        z3="-0.68005985"/>
                  <atom elementType="H"
                        id="a25"
                        x3="4.70063098"
                        y3="6.3335537"
                        z3="-0.68625724"/>
                  <atom elementType="C"
                        id="a26"
                        x3="7.65678138"
                        y3="5.40668982"
                        z3="-0.92031608"/>
                  <atom elementType="H"
                        id="a27"
                        x3="7.88900634"
                        y3="4.49862745"
                        z3="-1.49023774"/>
                  <atom elementType="H"
                        id="a28"
                        x3="8.59681489"
                        y3="5.8976134"
                        z3="-0.63758711"/>
                  <atom elementType="H"
                        id="a29"
                        x3="7.08342369"
                        y3="6.08848635"
                        z3="-1.55899925"/>
                  <atom elementType="C"
                        id="a30"
                        x3="7.65278761"
                        y3="4.08900674"
                        z3="1.18335268"/>
                  <atom elementType="C"
                        id="a31"
                        x3="8.98207086"
                        y3="3.71132804"
                        z3="1.06780917"/>
                  <atom elementType="H"
                        id="a32"
                        x3="9.682074"
                        y3="4.06338778"
                        z3="0.31864092"/>
                  <atom elementType="C"
                        id="a33"
                        x3="9.26366229"
                        y3="2.78558971"
                        z3="2.11206792"/>
                  <atom elementType="H"
                        id="a34"
                        x3="10.21133415"
                        y3="2.29031289"
                        z3="2.29007359"/>
                  <atom elementType="C"
                        id="a35"
                        x3="8.10313803"
                        y3="2.6090754"
                        z3="2.85089404"/>
                  <atom elementType="C"
                        id="a36"
                        x3="7.79143674"
                        y3="1.59100773"
                        z3="3.93195509"/>
                  <atom elementType="C"
                        id="a37"
                        x3="6.79785023"
                        y3="0.54278837"
                        z3="3.37770171"/>
                  <atom elementType="C"
                        id="a38"
                        x3="6.73623637"
                        y3="0.28312265"
                        z3="1.99749355"/>
                  <atom elementType="H"
                        id="a39"
                        x3="7.40624253"
                        y3="0.82960777"
                        z3="1.33144135"/>
                  <atom elementType="C"
                        id="a40"
                        x3="5.8375727"
                        y3="-0.6347341"
                        z3="1.46871876"/>
                  <atom elementType="H"
                        id="a41"
                        x3="5.8172212"
                        y3="-0.78540573"
                        z3="0.38897027"/>
                  <atom elementType="C"
                        id="a42"
                        x3="4.95264599"
                        y3="-1.33999198"
                        z3="2.31038679"/>
                  <atom elementType="C"
                        id="a43"
                        x3="5.08140493"
                        y3="-1.15042993"
                        z3="3.70006311"/>
                  <atom elementType="H"
                        id="a44"
                        x3="4.41742437"
                        y3="-1.71620654"
                        z3="4.35524706"/>
                  <atom elementType="C"
                        id="a45"
                        x3="5.98334401"
                        y3="-0.22226159"
                        z3="4.22348622"/>
                  <atom elementType="H"
                        id="a46"
                        x3="6.03480737"
                        y3="-0.05484766"
                        z3="5.3009269"/>
                  <atom elementType="C"
                        id="a47"
                        x3="9.08619542"
                        y3="0.81181967"
                        z3="4.26370767"/>
                  <atom elementType="H"
                        id="a48"
                        x3="8.87790735"
                        y3="0.05389562"
                        z3="5.02782409"/>
                  <atom elementType="H"
                        id="a49"
                        x3="9.86209659"
                        y3="1.49306719"
                        z3="4.63606728"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.45651652"
                        y3="0.30229274"
                        z3="3.36625438"/>
                  <atom elementType="C"
                        id="a51"
                        x3="7.27913762"
                        y3="2.2329548"
                        z3="5.20827809"/>
                  <atom elementType="C"
                        id="a52"
                        x3="7.77094062"
                        y3="2.14351208"
                        z3="6.50380506"/>
                  <atom elementType="H"
                        id="a53"
                        x3="8.65514981"
                        y3="1.59745127"
                        z3="6.81252481"/>
                  <atom elementType="C"
                        id="a54"
                        x3="6.91470952"
                        y3="2.90260152"
                        z3="7.35212679"/>
                  <atom elementType="H"
                        id="a55"
                        x3="7.02281935"
                        y3="3.03063503"
                        z3="8.42339417"/>
                  <atom elementType="C"
                        id="a56"
                        x3="5.91374764"
                        y3="3.44675447"
                        z3="6.56236868"/>
                  <atom elementType="C"
                        id="a57"
                        x3="4.68360938"
                        y3="4.25502946"
                        z3="6.93850408"/>
                  <atom elementType="C"
                        id="a58"
                        x3="3.42403187"
                        y3="3.53574462"
                        z3="6.41470714"/>
                  <atom elementType="C"
                        id="a59"
                        x3="3.3822392"
                        y3="2.13317598"
                        z3="6.38333779"/>
                  <atom elementType="H"
                        id="a60"
                        x3="4.25896038"
                        y3="1.57207393"
                        z3="6.71124765"/>
                  <atom elementType="C"
                        id="a61"
                        x3="2.25209447"
                        y3="1.45481313"
                        z3="5.94653037"/>
                  <atom elementType="H"
                        id="a62"
                        x3="2.23798668"
                        y3="0.36453804"
                        z3="5.96291765"/>
                  <atom elementType="C"
                        id="a63"
                        x3="1.11658394"
                        y3="2.16562774"
                        z3="5.50669675"/>
                  <atom elementType="C"
                        id="a64"
                        x3="1.13569725"
                        y3="3.56628961"
                        z3="5.59609185"/>
                  <atom elementType="H"
                        id="a65"
                        x3="0.24442473"
                        y3="4.11849887"
                        z3="5.29698311"/>
                  <atom elementType="C"
                        id="a66"
                        x3="2.27215836"
                        y3="4.23724595"
                        z3="6.03526153"/>
                  <atom elementType="H"
                        id="a67"
                        x3="2.27189472"
                        y3="5.32441685"
                        z3="6.07959053"/>
                  <atom elementType="C"
                        id="a68"
                        x3="4.57099271"
                        y3="4.29523293"
                        z3="8.47992637"/>
                  <atom elementType="H"
                        id="a69"
                        x3="3.67360691"
                        y3="4.85424149"
                        z3="8.77181879"/>
                  <atom elementType="H"
                        id="a70"
                        x3="5.45023934"
                        y3="4.78378265"
                        z3="8.91969139"/>
                  <atom elementType="H"
                        id="a71"
                        x3="4.49840906"
                        y3="3.27589515"
                        z3="8.87799939"/>
                  <atom elementType="C"
                        id="a72"
                        x3="4.74626802"
                        y3="5.68182968"
                        z3="6.42471024"/>
                  <atom elementType="C"
                        id="a73"
                        x3="4.8963868"
                        y3="6.88732247"
                        z3="7.09680703"/>
                  <atom elementType="H"
                        id="a74"
                        x3="5.06327442"
                        y3="7.00860241"
                        z3="8.16145479"/>
                  <atom elementType="C"
                        id="a75"
                        x3="4.78670558"
                        y3="7.93696954"
                        z3="6.13702855"/>
                  <atom elementType="H"
                        id="a76"
                        x3="4.85179442"
                        y3="9.00046872"
                        z3="6.33934188"/>
                  <atom elementType="C"
                        id="a77"
                        x3="4.57259162"
                        y3="7.35345913"
                        z3="4.8958618"/>
                  <atom elementType="C"
                        id="a78"
                        x3="4.2616623"
                        y3="7.96434593"
                        z3="3.54102633"/>
                  <atom elementType="C"
                        id="a79"
                        x3="2.88115949"
                        y3="7.46774855"
                        z3="3.05608785"/>
                  <atom elementType="C"
                        id="a80"
                        x3="1.87231246"
                        y3="7.18177194"
                        z3="3.98758547"/>
                  <atom elementType="H"
                        id="a81"
                        x3="2.08061678"
                        y3="7.33489063"
                        z3="5.04791489"/>
                  <atom elementType="C"
                        id="a82"
                        x3="0.63229841"
                        y3="6.70198189"
                        z3="3.58616096"/>
                  <atom elementType="H"
                        id="a83"
                        x3="-0.13942549"
                        y3="6.49609898"
                        z3="4.32855382"/>
                  <atom elementType="C"
                        id="a84"
                        x3="0.35386264"
                        y3="6.49747416"
                        z3="2.21880052"/>
                  <atom elementType="C"
                        id="a85"
                        x3="1.31872827"
                        y3="6.89647107"
                        z3="1.27622807"/>
                  <atom elementType="H"
                        id="a86"
                        x3="1.08996137"
                        y3="6.78430873"
                        z3="0.21575281"/>
                  <atom elementType="C"
                        id="a87"
                        x3="2.56999076"
                        y3="7.3490945"
                        z3="1.6931255"/>
                  <atom elementType="H"
                        id="a88"
                        x3="3.33033338"
                        y3="7.59898105"
                        z3="0.95338596"/>
                  <atom elementType="C"
                        id="a89"
                        x3="4.17015873"
                        y3="9.49821352"
                        z3="3.69041545"/>
                  <atom elementType="H"
                        id="a90"
                        x3="3.38391574"
                        y3="9.75862711"
                        z3="4.40894168"/>
                  <atom elementType="H"
                        id="a91"
                        x3="3.92702802"
                        y3="9.95441843"
                        z3="2.72298995"/>
                  <atom elementType="H"
                        id="a92"
                        x3="5.12462029"
                        y3="9.90721252"
                        z3="4.04640021"/>
                  <atom elementType="N"
                        id="a93"
                        x3="5.52772322"
                        y3="6.34671784"
                        z3="2.06323001"/>
                  <atom elementType="N"
                        id="a94"
                        x3="7.13842736"
                        y3="3.41713824"
                        z3="2.27575236"/>
                  <atom elementType="N"
                        id="a95"
                        x3="6.15131916"
                        y3="3.03107504"
                        z3="5.26673172"/>
                  <atom elementType="N"
                        id="a96"
                        x3="4.56574201"
                        y3="5.98839871"
                        z3="5.09322696"/>
                  <atom elementType="H"
                        id="a97"
                        x3="6.16501284"
                        y3="3.4986145"
                        z3="2.58280168"/>
                  <atom elementType="H"
                        id="a98"
                        x3="4.98197818"
                        y3="5.52838389"
                        z3="2.35662101"/>
                  <atom elementType="H"
                        id="a99"
                        x3="4.35990278"
                        y3="5.29010659"
                        z3="4.36914553"/>
                  <atom elementType="H"
                        id="a100"
                        x3="5.53857388"
                        y3="3.28068279"
                        z3="4.48067687"/>
                  <atom elementType="H"
                        id="a101"
                        x3="-2.08769921"
                        y3="-4.7879346"
                        z3="-0.40212585"/>
                  <atom elementType="H"
                        id="a102"
                        x3="-5.38537238"
                        y3="-2.41680773"
                        z3="3.16395149"/>
                  <atom elementType="H"
                        id="a103"
                        x3="-6.88892211"
                        y3="2.76743589"
                        z3="0.58696513"/>
                  <atom elementType="H"
                        id="a104"
                        x3="-4.13574459"
                        y3="-0.0577174"
                        z3="-3.20861136"/>
                  <atom elementType="C"
                        id="a105"
                        x3="-8.70829796"
                        y3="-6.90359524"
                        z3="-1.06632931"/>
                  <atom elementType="C"
                        id="a106"
                        x3="-8.85832139"
                        y3="-8.08597447"
                        z3="-1.77708153"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-9.29650935"
                        y3="-9.00431469"
                        z3="-1.40176625"/>
                  <atom elementType="C"
                        id="a108"
                        x3="-8.32487705"
                        y3="-7.87961871"
                        z3="-3.08466164"/>
                  <atom elementType="H"
                        id="a109"
                        x3="-8.28559905"
                        y3="-8.61055288"
                        z3="-3.88506727"/>
                  <atom elementType="C"
                        id="a110"
                        x3="-7.85918485"
                        y3="-6.57469965"
                        z3="-3.14683968"/>
                  <atom elementType="C"
                        id="a111"
                        x3="-7.11651116"
                        y3="-5.81137884"
                        z3="-4.22804939"/>
                  <atom elementType="C"
                        id="a112"
                        x3="-5.83098142"
                        y3="-5.20688169"
                        z3="-3.61711219"/>
                  <atom elementType="C"
                        id="a113"
                        x3="-5.33187956"
                        y3="-3.94247684"
                        z3="-3.95660767"/>
                  <atom elementType="H"
                        id="a114"
                        x3="-5.91463304"
                        y3="-3.29860326"
                        z3="-4.61375042"/>
                  <atom elementType="C"
                        id="a115"
                        x3="-4.08898141"
                        y3="-3.50878397"
                        z3="-3.49231177"/>
                  <atom elementType="H"
                        id="a116"
                        x3="-3.69805342"
                        y3="-2.53289517"
                        z3="-3.78337586"/>
                  <atom elementType="C"
                        id="a117"
                        x3="-3.30281511"
                        y3="-4.31856905"
                        z3="-2.6527027"/>
                  <atom elementType="C"
                        id="a118"
                        x3="-3.8137985"
                        y3="-5.5844111"
                        z3="-2.29429927"/>
                  <atom elementType="H"
                        id="a119"
                        x3="-3.20543649"
                        y3="-6.25869115"
                        z3="-1.68989756"/>
                  <atom elementType="C"
                        id="a120"
                        x3="-5.05001287"
                        y3="-6.00908304"
                        z3="-2.76702817"/>
                  <atom elementType="H"
                        id="a121"
                        x3="-5.41701102"
                        y3="-7.00213283"
                        z3="-2.50165958"/>
                  <atom elementType="C"
                        id="a122"
                        x3="-6.65931622"
                        y3="-6.80965759"
                        z3="-5.31700566"/>
                  <atom elementType="H"
                        id="a123"
                        x3="-6.10655437"
                        y3="-6.27961957"
                        z3="-6.10225419"/>
                  <atom elementType="H"
                        id="a124"
                        x3="-7.52567906"
                        y3="-7.30908557"
                        z3="-5.76876574"/>
                  <atom elementType="H"
                        id="a125"
                        x3="-6.00444023"
                        y3="-7.5715506"
                        z3="-4.87802573"/>
                  <atom elementType="C"
                        id="a126"
                        x3="-8.01904175"
                        y3="-4.78138915"
                        z3="-4.88192278"/>
                  <atom elementType="C"
                        id="a127"
                        x3="-8.5716775"
                        y3="-4.75415853"
                        z3="-6.15491696"/>
                  <atom elementType="H"
                        id="a128"
                        x3="-8.41779256"
                        y3="-5.49273477"
                        z3="-6.93348829"/>
                  <atom elementType="C"
                        id="a129"
                        x3="-9.39087483"
                        y3="-3.59292992"
                        z3="-6.24997002"/>
                  <atom elementType="H"
                        id="a130"
                        x3="-9.95321646"
                        y3="-3.27666704"
                        z3="-7.12134001"/>
                  <atom elementType="C"
                        id="a131"
                        x3="-9.3302087"
                        y3="-2.92785718"
                        z3="-5.03394555"/>
                  <atom elementType="C"
                        id="a132"
                        x3="-9.84634837"
                        y3="-1.55425097"
                        z3="-4.64447064"/>
                  <atom elementType="C"
                        id="a133"
                        x3="-8.65018329"
                        y3="-0.62820677"
                        z3="-4.33708825"/>
                  <atom elementType="C"
                        id="a134"
                        x3="-7.38771946"
                        y3="-0.89597316"
                        z3="-4.88503329"/>
                  <atom elementType="H"
                        id="a135"
                        x3="-7.27986425"
                        y3="-1.73479153"
                        z3="-5.5740123"/>
                  <atom elementType="C"
                        id="a136"
                        x3="-6.28170669"
                        y3="-0.12483424"
                        z3="-4.55400186"/>
                  <atom elementType="H"
                        id="a137"
                        x3="-5.31095916"
                        y3="-0.35392212"
                        z3="-4.99437367"/>
                  <atom elementType="C"
                        id="a138"
                        x3="-6.40767858"
                        y3="0.95912911"
                        z3="-3.66276096"/>
                  <atom elementType="C"
                        id="a139"
                        x3="-7.69676781"
                        y3="1.31727754"
                        z3="-3.22704903"/>
                  <atom elementType="H"
                        id="a140"
                        x3="-7.80594712"
                        y3="2.19283339"
                        z3="-2.58551023"/>
                  <atom elementType="C"
                        id="a141"
                        x3="-8.79540133"
                        y3="0.51843353"
                        z3="-3.54097547"/>
                  <atom elementType="H"
                        id="a142"
                        x3="-9.78057271"
                        y3="0.76194012"
                        z3="-3.13875679"/>
                  <atom elementType="C"
                        id="a143"
                        x3="-10.59768176"
                        y3="-0.94648647"
                        z3="-5.84946041"/>
                  <atom elementType="H"
                        id="a144"
                        x3="-10.94965137"
                        y3="0.06165362"
                        z3="-5.60078438"/>
                  <atom elementType="H"
                        id="a145"
                        x3="-11.46045149"
                        y3="-1.56870842"
                        z3="-6.12139159"/>
                  <atom elementType="H"
                        id="a146"
                        x3="-9.92429637"
                        y3="-0.8769432"
                        z3="-6.71178002"/>
                  <atom elementType="C"
                        id="a147"
                        x3="-10.78024918"
                        y3="-1.57773239"
                        z3="-3.44981128"/>
                  <atom elementType="C"
                        id="a148"
                        x3="-12.0890419"
                        y3="-1.13639324"
                        z3="-3.3212927"/>
                  <atom elementType="H"
                        id="a149"
                        x3="-12.71813678"
                        y3="-0.77028027"
                        z3="-4.1248565"/>
                  <atom elementType="C"
                        id="a150"
                        x3="-12.45222431"
                        y3="-1.23550036"
                        z3="-1.9461616"/>
                  <atom elementType="H"
                        id="a151"
                        x3="-13.41008786"
                        y3="-0.9676346"
                        z3="-1.51425151"/>
                  <atom elementType="C"
                        id="a152"
                        x3="-11.35818437"
                        y3="-1.73503409"
                        z3="-1.25625836"/>
                  <atom elementType="C"
                        id="a153"
                        x3="-11.13767679"
                        y3="-1.97170889"
                        z3="0.22713706"/>
                  <atom elementType="C"
                        id="a154"
                        x3="-9.92584173"
                        y3="-1.13557018"
                        z3="0.69459714"/>
                  <atom elementType="C"
                        id="a155"
                        x3="-9.83626927"
                        y3="0.20932256"
                        z3="0.28476698"/>
                  <atom elementType="H"
                        id="a156"
                        x3="-10.58702258"
                        y3="0.59425009"
                        z3="-0.40835575"/>
                  <atom elementType="C"
                        id="a157"
                        x3="-8.8296592"
                        y3="1.04659039"
                        z3="0.74375959"/>
                  <atom elementType="H"
                        id="a158"
                        x3="-8.82005911"
                        y3="2.0885153"
                        z3="0.42220459"/>
                  <atom elementType="C"
                        id="a159"
                        x3="-7.83541152"
                        y3="0.55778491"
                        z3="1.62049871"/>
                  <atom elementType="C"
                        id="a160"
                        x3="-7.93527272"
                        y3="-0.77831546"
                        z3="2.04298173"/>
                  <atom elementType="H"
                        id="a161"
                        x3="-7.17248052"
                        y3="-1.15738621"
                        z3="2.72418989"/>
                  <atom elementType="C"
                        id="a162"
                        x3="-8.95789884"
                        y3="-1.61073447"
                        z3="1.58692274"/>
                  <atom elementType="H"
                        id="a163"
                        x3="-9.00260199"
                        y3="-2.64384856"
                        z3="1.92773524"/>
                  <atom elementType="C"
                        id="a164"
                        x3="-12.36133195"
                        y3="-1.42602764"
                        z3="1.00130304"/>
                  <atom elementType="H"
                        id="a165"
                        x3="-12.21324376"
                        y3="-1.56833818"
                        z3="2.07865964"/>
                  <atom elementType="H"
                        id="a166"
                        x3="-13.27384657"
                        y3="-1.95270802"
                        z3="0.69491753"/>
                  <atom elementType="H"
                        id="a167"
                        x3="-12.4898358"
                        y3="-0.35586627"
                        z3="0.80231642"/>
                  <atom elementType="C"
                        id="a168"
                        x3="-11.00693401"
                        y3="-3.44929987"
                        z3="0.54152565"/>
                  <atom elementType="C"
                        id="a169"
                        x3="-11.86774842"
                        y3="-4.29198062"
                        z3="1.23101867"/>
                  <atom elementType="H"
                        id="a170"
                        x3="-12.81175654"
                        y3="-4.00909487"
                        z3="1.68267069"/>
                  <atom elementType="C"
                        id="a171"
                        x3="-11.29844693"
                        y3="-5.59762849"
                        z3="1.22680534"/>
                  <atom elementType="H"
                        id="a172"
                        x3="-11.71849875"
                        y3="-6.48185681"
                        z3="1.69329732"/>
                  <atom elementType="C"
                        id="a173"
                        x3="-10.09951194"
                        y3="-5.53539358"
                        z3="0.53353397"/>
                  <atom elementType="C"
                        id="a174"
                        x3="-8.99189062"
                        y3="-6.56279577"
                        z3="0.38223361"/>
                  <atom elementType="C"
                        id="a175"
                        x3="-7.72090725"
                        y3="-6.00491267"
                        z3="1.05578126"/>
                  <atom elementType="C"
                        id="a176"
                        x3="-7.83520038"
                        y3="-5.14160783"
                        z3="2.15759792"/>
                  <atom elementType="H"
                        id="a177"
                        x3="-8.82933868"
                        y3="-4.92731042"
                        z3="2.55524765"/>
                  <atom elementType="C"
                        id="a178"
                        x3="-6.71916538"
                        y3="-4.54312739"
                        z3="2.72472897"/>
                  <atom elementType="H"
                        id="a179"
                        x3="-6.84155587"
                        y3="-3.87682491"
                        z3="3.57921442"/>
                  <atom elementType="C"
                        id="a180"
                        x3="-5.43558515"
                        y3="-4.79104016"
                        z3="2.19686897"/>
                  <atom elementType="C"
                        id="a181"
                        x3="-5.30734023"
                        y3="-5.76229327"
                        z3="1.18898869"/>
                  <atom elementType="H"
                        id="a182"
                        x3="-4.30748487"
                        y3="-5.99273203"
                        z3="0.81907561"/>
                  <atom elementType="C"
                        id="a183"
                        x3="-6.43543249"
                        y3="-6.34756832"
                        z3="0.61713196"/>
                  <atom elementType="H"
                        id="a184"
                        x3="-6.32368279"
                        y3="-7.05280272"
                        z3="-0.20612565"/>
                  <atom elementType="C"
                        id="a185"
                        x3="-9.3930158"
                        y3="-7.85250368"
                        z3="1.12951456"/>
                  <atom elementType="H"
                        id="a186"
                        x3="-9.56572502"
                        y3="-7.63575084"
                        z3="2.19057372"/>
                  <atom elementType="H"
                        id="a187"
                        x3="-8.58789423"
                        y3="-8.59305517"
                        z3="1.04917261"/>
                  <atom elementType="H"
                        id="a188"
                        x3="-10.30978964"
                        y3="-8.27762538"
                        z3="0.70084746"/>
                  <atom elementType="N"
                        id="a189"
                        x3="-8.11252025"
                        y3="-5.99991046"
                        z3="-1.92075595"/>
                  <atom elementType="N"
                        id="a190"
                        x3="-8.50076786"
                        y3="-3.67214476"
                        z3="-4.21593654"/>
                  <atom elementType="N"
                        id="a191"
                        x3="-10.35633993"
                        y3="-1.93736042"
                        z3="-2.18479855"/>
                  <atom elementType="N"
                        id="a192"
                        x3="-9.94701189"
                        y3="-4.22617533"
                        z3="0.11575121"/>
                  <atom elementType="H"
                        id="a193"
                        x3="-8.19353774"
                        y3="-3.40331752"
                        z3="-3.27519293"/>
                  <atom elementType="H"
                        id="a194"
                        x3="-7.81472602"
                        y3="-5.05354945"
                        z3="-1.66711339"/>
                  <atom elementType="H"
                        id="a195"
                        x3="-9.11846974"
                        y3="-3.85877572"
                        z3="-0.36260205"/>
                  <atom elementType="H"
                        id="a196"
                        x3="-9.43579192"
                        y3="-2.32523518"
                        z3="-1.95782183"/>
                  <atom elementType="N"
                        id="a197"
                        x3="3.87906849"
                        y3="-2.14640923"
                        z3="1.88349767"/>
                  <atom elementType="N"
                        id="a198"
                        x3="-0.04236315"
                        y3="1.54505083"
                        z3="5.02529977"/>
                  <atom elementType="N"
                        id="a199"
                        x3="-0.83304707"
                        y3="5.90021732"
                        z3="1.77087427"/>
                  <atom elementType="N"
                        id="a200"
                        x3="1.90356315"
                        y3="2.76400049"
                        z3="-1.59048323"/>
                  <atom elementType="C"
                        id="a201"
                        x3="3.52755544"
                        y3="-2.19244018"
                        z3="0.63991713"/>
                  <atom elementType="C"
                        id="a202"
                        x3="0.05561512"
                        y3="0.39212437"
                        z3="4.45573447"/>
                  <atom elementType="C"
                        id="a203"
                        x3="-1.34386128"
                        y3="4.96150997"
                        z3="2.49658268"/>
                  <atom elementType="C"
                        id="a204"
                        x3="0.79231711"
                        y3="3.42119485"
                        z3="-1.57257992"/>
                  <atom elementType="C"
                        id="a205"
                        x3="-0.15765976"
                        y3="-3.84409021"
                        z3="-0.75956001"/>
                  <atom elementType="C"
                        id="a206"
                        x3="0.71061554"
                        y3="-3.16433501"
                        z3="-1.63346116"/>
                  <atom elementType="H"
                        id="a207"
                        x3="0.38240966"
                        y3="-2.983395"
                        z3="-2.65647864"/>
                  <atom elementType="C"
                        id="a208"
                        x3="1.93024622"
                        y3="-2.69215399"
                        z3="-1.17581706"/>
                  <atom elementType="H"
                        id="a209"
                        x3="2.58635498"
                        y3="-2.13581813"
                        z3="-1.84920956"/>
                  <atom elementType="C"
                        id="a210"
                        x3="2.32329381"
                        y3="-2.86830487"
                        z3="0.16974534"/>
                  <atom elementType="C"
                        id="a211"
                        x3="1.48492735"
                        y3="-3.61248146"
                        z3="1.02417078"/>
                  <atom elementType="H"
                        id="a212"
                        x3="1.8005999"
                        y3="-3.77375542"
                        z3="2.05499475"/>
                  <atom elementType="C"
                        id="a213"
                        x3="0.27305246"
                        y3="-4.10015632"
                        z3="0.55818858"/>
                  <atom elementType="H"
                        id="a214"
                        x3="-0.38209364"
                        y3="-4.66086158"
                        z3="1.22804307"/>
                  <atom elementType="C"
                        id="a215"
                        x3="-2.9550363"
                        y3="1.64905115"
                        z3="-2.58882658"/>
                  <atom elementType="C"
                        id="a216"
                        x3="-1.76553513"
                        y3="0.89642522"
                        z3="-2.68735553"/>
                  <atom elementType="H"
                        id="a217"
                        x3="-1.81708532"
                        y3="-0.14446774"
                        z3="-3.0114508"/>
                  <atom elementType="C"
                        id="a218"
                        x3="-0.54137743"
                        y3="1.47178382"
                        z3="-2.3945564"/>
                  <atom elementType="H"
                        id="a219"
                        x3="0.38296993"
                        y3="0.90634944"
                        z3="-2.50562126"/>
                  <atom elementType="C"
                        id="a220"
                        x3="-0.47324604"
                        y3="2.80422219"
                        z3="-1.93940719"/>
                  <atom elementType="C"
                        id="a221"
                        x3="-1.668685"
                        y3="3.53804083"
                        z3="-1.78902536"/>
                  <atom elementType="H"
                        id="a222"
                        x3="-1.61704853"
                        y3="4.55968605"
                        z3="-1.40763584"/>
                  <atom elementType="C"
                        id="a223"
                        x3="-2.89189979"
                        y3="2.97584845"
                        z3="-2.12250318"/>
                  <atom elementType="H"
                        id="a224"
                        x3="-3.81778471"
                        y3="3.54413256"
                        z3="-2.04051669"/>
                  <atom elementType="C"
                        id="a225"
                        x3="-5.11764799"
                        y3="3.07126898"
                        z3="1.79500812"/>
                  <atom elementType="C"
                        id="a226"
                        x3="-4.6770444"
                        y3="4.11044176"
                        z3="0.94710805"/>
                  <atom elementType="H"
                        id="a227"
                        x3="-5.30909239"
                        y3="4.41161537"
                        z3="0.10892233"/>
                  <atom elementType="C"
                        id="a228"
                        x3="-3.45747651"
                        y3="4.73664953"
                        z3="1.15646702"/>
                  <atom elementType="H"
                        id="a229"
                        x3="-3.12003882"
                        y3="5.54740772"
                        z3="0.51079887"/>
                  <atom elementType="C"
                        id="a230"
                        x3="-2.63015383"
                        y3="4.33493939"
                        z3="2.22276002"/>
                  <atom elementType="C"
                        id="a231"
                        x3="-3.07374397"
                        y3="3.30372325"
                        z3="3.07980277"/>
                  <atom elementType="H"
                        id="a232"
                        x3="-2.42584302"
                        y3="2.98786903"
                        z3="3.90147982"/>
                  <atom elementType="C"
                        id="a233"
                        x3="-4.30020795"
                        y3="2.68952643"
                        z3="2.87742388"/>
                  <atom elementType="H"
                        id="a234"
                        x3="-4.64532335"
                        y3="1.89185838"
                        z3="3.53384545"/>
                  <atom elementType="C"
                        id="a235"
                        x3="-3.25874649"
                        y3="-2.0687904"
                        z3="3.3896734"/>
                  <atom elementType="C"
                        id="a236"
                        x3="-3.47814778"
                        y3="-0.82861824"
                        z3="4.02563282"/>
                  <atom elementType="H"
                        id="a237"
                        x3="-4.50165552"
                        y3="-0.527784"
                        z3="4.26125426"/>
                  <atom elementType="C"
                        id="a238"
                        x3="-2.41182346"
                        y3="-0.01671862"
                        z3="4.3773917"/>
                  <atom elementType="H"
                        id="a239"
                        x3="-2.56402123"
                        y3="0.9196279"
                        z3="4.91268279"/>
                  <atom elementType="C"
                        id="a240"
                        x3="-1.09442502"
                        y3="-0.40779622"
                        z3="4.07141366"/>
                  <atom elementType="C"
                        id="a241"
                        x3="-0.87944308"
                        y3="-1.63278337"
                        z3="3.40803059"/>
                  <atom elementType="H"
                        id="a242"
                        x3="0.13823944"
                        y3="-1.92754131"
                        z3="3.14546445"/>
                  <atom elementType="C"
                        id="a243"
                        x3="-1.9428005"
                        y3="-2.45467254"
                        z3="3.07847535"/>
                  <atom elementType="H"
                        id="a244"
                        x3="-1.78780053"
                        y3="-3.39886587"
                        z3="2.56014249"/>
                  <atom elementType="H"
                        id="a245"
                        x3="4.07932304"
                        y3="-1.64841162"
                        z3="-0.14887277"/>
                  <atom elementType="H"
                        id="a246"
                        x3="1.03897821"
                        y3="-0.06473712"
                        z3="4.24446934"/>
                  <atom elementType="H"
                        id="a247"
                        x3="-0.81232238"
                        y3="4.57193395"
                        z3="3.38321405"/>
                  <atom elementType="H"
                        id="a248"
                        x3="0.73197285"
                        y3="4.46613286"
                        z3="-1.21899797"/>
                  <atom elementType="N"
                        id="a249"
                        x3="-1.99599545"
                        y3="-1.17369721"
                        z3="0.13819422"/>
                  <atom elementType="N"
                        id="a250"
                        x3="-2.53156503"
                        y3="0.00606997"
                        z3="0.5206044"/>
                  <atom elementType="N"
                        id="a251"
                        x3="-6.83336536"
                        y3="-2.42919819"
                        z3="-1.10345101"/>
                  <atom elementType="C"
                        id="a252"
                        x3="-5.69704724"
                        y3="-2.97084596"
                        z3="-0.59595738"/>
                  <atom elementType="C"
                        id="a253"
                        x3="-4.70645415"
                        y3="-2.15868294"
                        z3="-0.07454884"/>
                  <atom elementType="C"
                        id="a254"
                        x3="-4.8541771"
                        y3="-0.76478274"
                        z3="-0.09030575"/>
                  <atom elementType="C"
                        id="a255"
                        x3="-6.00308901"
                        y3="-0.25299173"
                        z3="-0.69829807"/>
                  <atom elementType="C"
                        id="a256"
                        x3="-6.98047339"
                        y3="-1.08768037"
                        z3="-1.19291844"/>
                  <atom elementType="O"
                        id="a257"
                        x3="-7.81673835"
                        y3="-3.21399661"
                        z3="-1.51614679"/>
                  <atom elementType="C"
                        id="a258"
                        x3="-3.96729662"
                        y3="0.21773659"
                        z3="0.6208121"/>
                  <atom elementType="H"
                        id="a259"
                        x3="-5.6512103"
                        y3="-4.05557309"
                        z3="-0.61348263"/>
                  <atom elementType="H"
                        id="a260"
                        x3="-3.8173476"
                        y3="-2.62426149"
                        z3="0.33511145"/>
                  <atom elementType="H"
                        id="a261"
                        x3="-6.1590288"
                        y3="0.81912257"
                        z3="-0.78248901"/>
                  <atom elementType="H"
                        id="a262"
                        x3="-7.90319818"
                        y3="-0.7388313"
                        z3="-1.64355557"/>
                  <atom elementType="N"
                        id="a263"
                        x3="-0.69739328"
                        y3="-1.04002711"
                        z3="0.18890378"/>
                  <atom elementType="H"
                        id="a264"
                        x3="-4.2420133"
                        y3="0.22464655"
                        z3="1.68938019"/>
                  <atom elementType="C"
                        id="a265"
                        x3="3.44750548"
                        y3="3.1929208"
                        z3="2.80713408"/>
                  <atom elementType="C"
                        id="a266"
                        x3="2.25141881"
                        y3="3.67293782"
                        z3="2.19039494"/>
                  <atom elementType="C"
                        id="a267"
                        x3="1.39719024"
                        y3="2.79949987"
                        z3="1.57300493"/>
                  <atom elementType="N"
                        id="a268"
                        x3="1.63126234"
                        y3="1.45332027"
                        z3="1.57705397"/>
                  <atom elementType="C"
                        id="a269"
                        x3="2.66279386"
                        y3="0.9588602"
                        z3="2.32032395"/>
                  <atom elementType="C"
                        id="a270"
                        x3="3.54437199"
                        y3="1.78055388"
                        z3="2.95729153"/>
                  <atom elementType="O"
                        id="a271"
                        x3="4.39876286"
                        y3="3.96894217"
                        z3="3.18656174"/>
                  <atom elementType="H"
                        id="a272"
                        x3="2.06701041"
                        y3="4.741624"
                        z3="2.13571751"/>
                  <atom elementType="H"
                        id="a273"
                        x3="0.53024259"
                        y3="3.13107043"
                        z3="1.00636591"/>
                  <atom elementType="H"
                        id="a274"
                        x3="2.75575982"
                        y3="-0.12385166"
                        z3="2.33163936"/>
                  <atom elementType="H"
                        id="a275"
                        x3="4.36400166"
                        y3="1.34918988"
                        z3="3.52260998"/>
                  <atom elementType="H"
                        id="a276"
                        x3="-4.16746751"
                        y3="1.22469254"
                        z3="0.23686584"/>
                  <atom elementType="C"
                        id="a277"
                        x3="-1.56007238"
                        y3="0.91294927"
                        z3="0.81669821"/>
                  <atom elementType="C"
                        id="a278"
                        x3="-0.38161012"
                        y3="0.22420442"
                        z3="0.59878176"/>
                  <atom elementType="C"
                        id="a279"
                        x3="1.06111466"
                        y3="0.57562315"
                        z3="0.54277978"/>
                  <atom elementType="H"
                        id="a280"
                        x3="1.60865866"
                        y3="-0.3710155"
                        z3="0.58762646"/>
                  <atom elementType="H"
                        id="a281"
                        x3="1.30815542"
                        y3="1.04089926"
                        z3="-0.42639292"/>
                  <atom elementType="H"
                        id="a282"
                        x3="-1.79645828"
                        y3="1.92132528"
                        z3="1.13433553"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a205" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a101" order="S"/>
                  <bond atomRefs2="a2 a235" order="S"/>
                  <bond atomRefs2="a2 a102" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a225" order="S"/>
                  <bond atomRefs2="a3 a103" order="S"/>
                  <bond atomRefs2="a4 a104" order="S"/>
                  <bond atomRefs2="a4 a215" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a117" order="S"/>
                  <bond atomRefs2="a6 a180" order="S"/>
                  <bond atomRefs2="a7 a159" order="S"/>
                  <bond atomRefs2="a8 a138" order="S"/>
                  <bond atomRefs2="a9 a78" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a93" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a14 a93" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a30" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a200" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a94" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a94" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a197" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a51 a95" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a95" order="S"/>
                  <bond atomRefs2="a57 a68" order="S"/>
                  <bond atomRefs2="a57 a72" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a66" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a63 a198" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a64 a66" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a66 a67" order="S"/>
                  <bond atomRefs2="a68 a70" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a72 a96" order="S"/>
                  <bond atomRefs2="a72 a73" order="S"/>
                  <bond atomRefs2="a73 a75" order="S"/>
                  <bond atomRefs2="a73 a74" order="S"/>
                  <bond atomRefs2="a75 a76" order="S"/>
                  <bond atomRefs2="a75 a77" order="S"/>
                  <bond atomRefs2="a77 a96" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a78 a89" order="S"/>
                  <bond atomRefs2="a78 a79" order="S"/>
                  <bond atomRefs2="a79 a80" order="S"/>
                  <bond atomRefs2="a79 a87" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
                  <bond atomRefs2="a80 a82" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a84" order="S"/>
                  <bond atomRefs2="a84 a85" order="S"/>
                  <bond atomRefs2="a84 a199" order="S"/>
                  <bond atomRefs2="a85 a87" order="S"/>
                  <bond atomRefs2="a85 a86" order="S"/>
                  <bond atomRefs2="a87 a88" order="S"/>
                  <bond atomRefs2="a89 a90" order="S"/>
                  <bond atomRefs2="a89 a91" order="S"/>
                  <bond atomRefs2="a89 a92" order="S"/>
                  <bond atomRefs2="a93 a98" order="S"/>
                  <bond atomRefs2="a94 a97" order="S"/>
                  <bond atomRefs2="a95 a100" order="S"/>
                  <bond atomRefs2="a96 a99" order="S"/>
                  <bond atomRefs2="a105 a189" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a105 a174" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a106 a108" order="S"/>
                  <bond atomRefs2="a108 a109" order="S"/>
                  <bond atomRefs2="a108 a110" order="S"/>
                  <bond atomRefs2="a110 a189" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a111 a122" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a111 a126" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a120" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a115 a117" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a126 a190" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a129" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a131 a190" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a143" order="S"/>
                  <bond atomRefs2="a132 a147" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a141" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a136" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a136 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a139 a141" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a143 a146" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a143 a145" order="S"/>
                  <bond atomRefs2="a147 a191" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a150" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a152 a153" order="S"/>
                  <bond atomRefs2="a152 a191" order="S"/>
                  <bond atomRefs2="a153 a164" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a168" order="S"/>
                  <bond atomRefs2="a154 a155" order="S"/>
                  <bond atomRefs2="a154 a162" order="S"/>
                  <bond atomRefs2="a155 a157" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a157 a159" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a160 a162" order="S"/>
                  <bond atomRefs2="a160 a161" order="S"/>
                  <bond atomRefs2="a162 a163" order="S"/>
                  <bond atomRefs2="a164 a167" order="S"/>
                  <bond atomRefs2="a164 a166" order="S"/>
                  <bond atomRefs2="a164 a165" order="S"/>
                  <bond atomRefs2="a168 a192" order="S"/>
                  <bond atomRefs2="a168 a169" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a169 a171" order="S"/>
                  <bond atomRefs2="a171 a173" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a173 a192" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a185" order="S"/>
                  <bond atomRefs2="a174 a175" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a175 a183" order="S"/>
                  <bond atomRefs2="a176 a177" order="S"/>
                  <bond atomRefs2="a176 a178" order="S"/>
                  <bond atomRefs2="a178 a179" order="S"/>
                  <bond atomRefs2="a178 a180" order="S"/>
                  <bond atomRefs2="a180 a181" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a181 a183" order="S"/>
                  <bond atomRefs2="a183 a184" order="S"/>
                  <bond atomRefs2="a185 a186" order="S"/>
                  <bond atomRefs2="a185 a187" order="S"/>
                  <bond atomRefs2="a185 a188" order="S"/>
                  <bond atomRefs2="a189 a194" order="S"/>
                  <bond atomRefs2="a190 a193" order="S"/>
                  <bond atomRefs2="a191 a196" order="S"/>
                  <bond atomRefs2="a192 a195" order="S"/>
                  <bond atomRefs2="a197 a201" order="S"/>
                  <bond atomRefs2="a198 a202" order="S"/>
                  <bond atomRefs2="a199 a203" order="S"/>
                  <bond atomRefs2="a200 a204" order="S"/>
                  <bond atomRefs2="a201 a245" order="S"/>
                  <bond atomRefs2="a201 a210" order="S"/>
                  <bond atomRefs2="a202 a240" order="S"/>
                  <bond atomRefs2="a202 a246" order="S"/>
                  <bond atomRefs2="a203 a247" order="S"/>
                  <bond atomRefs2="a203 a230" order="S"/>
                  <bond atomRefs2="a204 a248" order="S"/>
                  <bond atomRefs2="a204 a220" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a205 a213" order="S"/>
                  <bond atomRefs2="a206 a207" order="S"/>
                  <bond atomRefs2="a206 a208" order="S"/>
                  <bond atomRefs2="a208 a209" order="S"/>
                  <bond atomRefs2="a208 a210" order="S"/>
                  <bond atomRefs2="a210 a211" order="S"/>
                  <bond atomRefs2="a211 a213" order="S"/>
                  <bond atomRefs2="a211 a212" order="S"/>
                  <bond atomRefs2="a213 a214" order="S"/>
                  <bond atomRefs2="a215 a216" order="S"/>
                  <bond atomRefs2="a215 a223" order="S"/>
                  <bond atomRefs2="a216 a218" order="S"/>
                  <bond atomRefs2="a216 a217" order="S"/>
                  <bond atomRefs2="a218 a219" order="S"/>
                  <bond atomRefs2="a218 a220" order="S"/>
                  <bond atomRefs2="a220 a221" order="S"/>
                  <bond atomRefs2="a221 a222" order="S"/>
                  <bond atomRefs2="a221 a223" order="S"/>
                  <bond atomRefs2="a223 a224" order="S"/>
                  <bond atomRefs2="a225 a226" order="S"/>
                  <bond atomRefs2="a225 a233" order="S"/>
                  <bond atomRefs2="a226 a227" order="S"/>
                  <bond atomRefs2="a226 a228" order="S"/>
                  <bond atomRefs2="a228 a230" order="S"/>
                  <bond atomRefs2="a228 a229" order="S"/>
                  <bond atomRefs2="a230 a231" order="S"/>
                  <bond atomRefs2="a231 a232" order="S"/>
                  <bond atomRefs2="a231 a233" order="S"/>
                  <bond atomRefs2="a233 a234" order="S"/>
                  <bond atomRefs2="a235 a243" order="S"/>
                  <bond atomRefs2="a235 a236" order="S"/>
                  <bond atomRefs2="a236 a237" order="S"/>
                  <bond atomRefs2="a236 a238" order="S"/>
                  <bond atomRefs2="a238 a239" order="S"/>
                  <bond atomRefs2="a238 a240" order="S"/>
                  <bond atomRefs2="a240 a241" order="S"/>
                  <bond atomRefs2="a241 a242" order="S"/>
                  <bond atomRefs2="a241 a243" order="S"/>
                  <bond atomRefs2="a243 a244" order="S"/>
                  <bond atomRefs2="a249 a250" order="S"/>
                  <bond atomRefs2="a249 a263" order="S"/>
                  <bond atomRefs2="a250 a258" order="S"/>
                  <bond atomRefs2="a250 a277" order="S"/>
                  <bond atomRefs2="a251 a257" order="S"/>
                  <bond atomRefs2="a251 a252" order="S"/>
                  <bond atomRefs2="a251 a256" order="S"/>
                  <bond atomRefs2="a252 a259" order="S"/>
                  <bond atomRefs2="a252 a253" order="S"/>
                  <bond atomRefs2="a253 a260" order="S"/>
                  <bond atomRefs2="a253 a254" order="S"/>
                  <bond atomRefs2="a254 a255" order="S"/>
                  <bond atomRefs2="a254 a258" order="S"/>
                  <bond atomRefs2="a255 a256" order="S"/>
                  <bond atomRefs2="a255 a261" order="S"/>
                  <bond atomRefs2="a256 a262" order="S"/>
                  <bond atomRefs2="a258 a276" order="S"/>
                  <bond atomRefs2="a258 a264" order="S"/>
                  <bond atomRefs2="a263 a278" order="S"/>
                  <bond atomRefs2="a265 a271" order="S"/>
                  <bond atomRefs2="a265 a266" order="S"/>
                  <bond atomRefs2="a265 a270" order="S"/>
                  <bond atomRefs2="a266 a272" order="S"/>
                  <bond atomRefs2="a266 a267" order="S"/>
                  <bond atomRefs2="a267 a273" order="S"/>
                  <bond atomRefs2="a267 a268" order="S"/>
                  <bond atomRefs2="a268 a279" order="S"/>
                  <bond atomRefs2="a268 a269" order="S"/>
                  <bond atomRefs2="a269 a270" order="S"/>
                  <bond atomRefs2="a269 a274" order="S"/>
                  <bond atomRefs2="a270 a275" order="S"/>
                  <bond atomRefs2="a277 a278" order="S"/>
                  <bond atomRefs2="a277 a282" order="S"/>
                  <bond atomRefs2="a278 a279" order="S"/>
                  <bond atomRefs2="a279 a280" order="S"/>
                  <bond atomRefs2="a279 a281" order="S"/>
               </bondArray>
               <formula concise="C142H117N21O2">
                  <atomArray count="142 117 21 2" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2031.6589000000026</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C128H104N16.C14H13N5O2/c1-121-89-25-41-97(42-26-89)129-73-81-9-11-82(12-10-81)76-132-101-49-33-93(34-50-101)125(5)113-65-67-115(141-113)126(6)94-35-51-102(52-36-94)134-78-85-17-13-83(14-18-85)74-130-98-43-27-90(28-44-98)122(2,107-59-57-105(121)137-107)109-61-63-111(139-109)124(4)92-31-47-100(48-32-92)133-77-87-21-23-88(24-22-87)80-136-104-55-39-96(40-56-104)128(8,119-71-69-117(126)143-119)120-72-70-118(144-120)127(7,116-68-66-114(125)142-116)95-37-53-103(54-38-95)135-79-86-19-15-84(16-20-86)75-131-99-45-29-91(30-46-99)123(3,108-60-58-106(121)138-108)110-62-64-112(124)140-110;20-14-3-5-17(6-4-14)10-13-11-18(16-15-13)9-12-1-7-19(21)8-2-12/h9-80,137-144H,1-8H3;1-8,11H,9-10H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:26,47,89,68,143,122,164,185,218,221,216,223,208,211,228,231,206,213,226,233,238,241,236,243,17,24,38,45,80,87,59,66,134,141,113,120,155,162,176,183,19,22,40,43,82,85,61,64,136,139,115,118,157,160,178,181,31,12,33,10,52,75,54,73,129,148,127,150,108,169,106,171,204,201,203,4,202,1,3,2,220,215,210,230,205,225,240,235,16,37,79,58,133,112,154,175,21,42,84,63,138,117,159,180,30,14,35,9,51,77,56,72,131,147,126,152,110,168,105,173,15,36,78,57,132,111,153,174,200,197,199,8,198,5,7,6,94,93,95,96,190,191,189,192;253,255,266,270,267,269,252,256,258,279,277,254,278,265,263,249,268,250,251,271,257/E:(1,2,3,4,5,6,7,8)(9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24)(25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40)(41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56)(57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72)(73,74,75,76,77,78,79,80)(81,82,83,84,85,86,87,88)(89,90,91,92,93,94,95,96)(97,98,99,100,101,102,103,104)(105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)(121,122,123,124,125,126,127,128)(129,130,131,132,133,134,135,136)(137,138,139,140,141,142,143,144);(1,2)(3,4)(5,6)(7,8)/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3,71.3,72.3,73.3,74.3,75.3,76.3,77.3,78.3,79.3,80.3,81.3,82.3,83.3,84.3,85.3,86.3,87.3,88.3,89.3,90.3,91.3,92.3,93.3,94.3,95.3,96.3,97.3,98.3,99.3,100.3,101.3,102.3,103.3,104.3,105.3,106.3,107.3,108.3,109.3,110.3,111.3,112.3,113.3,114.3,115.3,116.3,117.3,118.3,119.3,120.3,129.2,130.2,131.2,132.2,133.2,134.2,135.2,136.2;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.2,16.2,20.1,21.1/rA:282nC3C3C3C3N2N2N2N2C3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHNNNNHHHHHHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHNNNNHHHHN2N2N2N2C3C3C3C3C3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HHHHHN2NNC3C3C3C3C3O1CHHHHN2HC3C3C3NC3C3O1HHHHHC3C3CHHH/rB:;;;s1;s2;s3;s4;;s9;s10;s10;s12;s12;s14;s15;s16;s17;s17;s19;s19;s21;s22;s16s22;s24;s15;s26;s26;s26;s15;s30;s31;s31;s33;s33;s35;s36;s37;s38;s38;s40;s40;s42;s43;s37s43;s45;s36;s47;s47;s47;s36;s51;s52;s52;s54;s54;s56;s57;s58;s59;s59;s61;s61;s63;s64;s58s64;s66;s57;s68;s68;s68;s57;s72;s73;s73;s75;s75;s9s77;s78;s79;s80;s80;s82;s82;s84;s85;s79s85;s87;s78;s89;s89;s89;s9s14;s30s35;s51s56;s72s77;s94;s93;s96;s95;s1;s2;s3;s4;;s105;s106;s106;s108;s108;s110;s111;s112;s113;s113;s115;s5s115;s117;s118;s112s118;s120;s111;s122;s122;s122;s111;s126;s127;s127;s129;s129;s131;s132;s133;s134;s134;s136;s8s136;s138;s139;s133s139;s141;s132;s143;s143;s143;s132;s147;s148;s148;s150;s150;s152;s153;s154;s155;s155;s157;s7s157;s159;s160;s154s160;s162;s153;s164;s164;s164;s153;s168;s169;s169;s171;s171;s105s173;s174;s175;s176;s176;s178;s6s178;s180;s181;s175s181;s183;s174;s185;s185;s185;s105s110;s126s131;s147s152;s168s173;s190;s189;s192;s191;s42;s63;s84;s21;s197;s198;s199;s200;s1;s205;s206;s206;s208;s201s208;s210;s211;s205s211;s213;s4;s215;s216;s216;s218;s204s218;s220;s221;s215s221;s223;s3;s225;s226;s226;s228;s203s228;s230;s231;s225s231;s233;s2;s235;s236;s236;s238;s202s238;s240;s241;s235s241;s243;s201;s202;s203;s204;;s249;;s251;s252;s253;s254;s251s255;s251;s250s254;s252;s253;s255;s256;s249;s258;;s265;s266;s267;s268;s265s269;s265;s266;s267;s269;s270;s258;s250;s263s277;s268s278;s279;s279;s277;/rC:-1.5111,-4.2183,-1.1558;-4.3984,-2.8984,3.0406;-6.3438,2.3598,1.4577;-4.1992,1.0284,-3.0142;-2.0304,-3.8677,-2.2823;-4.2805,-4.0931,2.569;-6.7153,1.2799,2.0614;-5.3066,1.6734,-3.1718;5.3301,7.6323,2.5204;6.216,8.4469,1.8289;6.3242,9.5189,1.9518;6.9534,7.6223,.929;7.7226,7.9519,.2393;6.5039,6.3198,1.0897;6.8346,5.044,.3382;5.5196,4.4131,-.1584;5.2966,3.032,-.1869;6.0587,2.3568,.1983;4.1088,2.5121,-.6962;3.9344,1.4353,-.7085;3.0968,3.3611,-1.1744;3.3356,4.7505,-1.1831;2.595,5.4297,-1.6064;4.523,5.257,-.6801;4.7006,6.3336,-.6863;7.6568,5.4067,-.9203;7.889,4.4986,-1.4902;8.5968,5.8976,-.6376;7.0834,6.0885,-1.559;7.6528,4.089,1.1834;8.9821,3.7113,1.0678;9.6821,4.0634,.3186;9.2637,2.7856,2.1121;10.2113,2.2903,2.2901;8.1031,2.6091,2.8509;7.7914,1.591,3.932;6.7979,.5428,3.3777;6.7362,.2831,1.9975;7.4062,.8296,1.3314;5.8376,-.6347,1.4687;5.8172,-.7854,.389;4.9526,-1.34,2.3104;5.0814,-1.1504,3.7001;4.4174,-1.7162,4.3552;5.9833,-.2223,4.2235;6.0348,-.0548,5.3009;9.0862,.8118,4.2637;8.8779,.0539,5.0278;9.8621,1.4931,4.6361;9.4565,.3023,3.3663;7.2791,2.233,5.2083;7.7709,2.1435,6.5038;8.6551,1.5975,6.8125;6.9147,2.9026,7.3521;7.0228,3.0306,8.4234;5.9137,3.4468,6.5624;4.6836,4.255,6.9385;3.424,3.5357,6.4147;3.3822,2.1332,6.3833;4.259,1.5721,6.7112;2.2521,1.4548,5.9465;2.238,.3645,5.9629;1.1166,2.1656,5.5067;1.1357,3.5663,5.5961;.2444,4.1185,5.297;2.2722,4.2372,6.0353;2.2719,5.3244,6.0796;4.571,4.2952,8.4799;3.6736,4.8542,8.7718;5.4502,4.7838,8.9197;4.4984,3.2759,8.878;4.7463,5.6818,6.4247;4.8964,6.8873,7.0968;5.0633,7.0086,8.1615;4.7867,7.937,6.137;4.8518,9.0005,6.3393;4.5726,7.3535,4.8959;4.2617,7.9643,3.541;2.8812,7.4677,3.0561;1.8723,7.1818,3.9876;2.0806,7.3349,5.0479;.6323,6.702,3.5862;-.1394,6.4961,4.3286;.3539,6.4975,2.2188;1.3187,6.8965,1.2762;1.09,6.7843,.2158;2.57,7.3491,1.6931;3.3303,7.599,.9534;4.1702,9.4982,3.6904;3.3839,9.7586,4.4089;3.927,9.9544,2.723;5.1246,9.9072,4.0464;5.5277,6.3467,2.0632;7.1384,3.4171,2.2758;6.1513,3.0311,5.2667;4.5657,5.9884,5.0932;6.165,3.4986,2.5828;4.982,5.5284,2.3566;4.3599,5.2901,4.3691;5.5386,3.2807,4.4807;-2.0877,-4.7879,-.4021;-5.3854,-2.4168,3.164;-6.8889,2.7674,.587;-4.1357,-.0577,-3.2086;-8.7083,-6.9036,-1.0663;-8.8583,-8.086,-1.7771;-9.2965,-9.0043,-1.4018;-8.3249,-7.8796,-3.0847;-8.2856,-8.6106,-3.8851;-7.8592,-6.5747,-3.1468;-7.1165,-5.8114,-4.228;-5.831,-5.2069,-3.6171;-5.3319,-3.9425,-3.9566;-5.9146,-3.2986,-4.6138;-4.089,-3.5088,-3.4923;-3.6981,-2.5329,-3.7834;-3.3028,-4.3186,-2.6527;-3.8138,-5.5844,-2.2943;-3.2054,-6.2587,-1.6899;-5.05,-6.0091,-2.767;-5.417,-7.0021,-2.5017;-6.6593,-6.8097,-5.317;-6.1066,-6.2796,-6.1023;-7.5257,-7.3091,-5.7688;-6.0044,-7.5716,-4.878;-8.019,-4.7814,-4.8819;-8.5717,-4.7542,-6.1549;-8.4178,-5.4927,-6.9335;-9.3909,-3.5929,-6.25;-9.9532,-3.2767,-7.1213;-9.3302,-2.9279,-5.0339;-9.8463,-1.5543,-4.6445;-8.6502,-.6282,-4.3371;-7.3877,-.896,-4.885;-7.2799,-1.7348,-5.574;-6.2817,-.1248,-4.554;-5.311,-.3539,-4.9944;-6.4077,.9591,-3.6628;-7.6968,1.3173,-3.227;-7.8059,2.1928,-2.5855;-8.7954,.5184,-3.541;-9.7806,.7619,-3.1388;-10.5977,-.9465,-5.8495;-10.9497,.0617,-5.6008;-11.4605,-1.5687,-6.1214;-9.9243,-.8769,-6.7118;-10.7802,-1.5777,-3.4498;-12.089,-1.1364,-3.3213;-12.7181,-.7703,-4.1249;-12.4522,-1.2355,-1.9462;-13.4101,-.9676,-1.5143;-11.3582,-1.735,-1.2563;-11.1377,-1.9717,.2271;-9.9258,-1.1356,.6946;-9.8363,.2093,.2848;-10.587,.5943,-.4084;-8.8297,1.0466,.7438;-8.8201,2.0885,.4222;-7.8354,.5578,1.6205;-7.9353,-.7783,2.043;-7.1725,-1.1574,2.7242;-8.9579,-1.6107,1.5869;-9.0026,-2.6438,1.9277;-12.3613,-1.426,1.0013;-12.2132,-1.5683,2.0787;-13.2738,-1.9527,.6949;-12.4898,-.3559,.8023;-11.0069,-3.4493,.5415;-11.8677,-4.292,1.231;-12.8118,-4.0091,1.6827;-11.2984,-5.5976,1.2268;-11.7185,-6.4819,1.6933;-10.0995,-5.5354,.5335;-8.9919,-6.5628,.3822;-7.7209,-6.0049,1.0558;-7.8352,-5.1416,2.1576;-8.8293,-4.9273,2.5552;-6.7192,-4.5431,2.7247;-6.8416,-3.8768,3.5792;-5.4356,-4.791,2.1969;-5.3073,-5.7623,1.189;-4.3075,-5.9927,.8191;-6.4354,-6.3476,.6171;-6.3237,-7.0528,-.2061;-9.393,-7.8525,1.1295;-9.5657,-7.6358,2.1906;-8.5879,-8.5931,1.0492;-10.3098,-8.2776,.7008;-8.1125,-5.9999,-1.9208;-8.5008,-3.6721,-4.2159;-10.3563,-1.9374,-2.1848;-9.947,-4.2262,.1158;-8.1935,-3.4033,-3.2752;-7.8147,-5.0535,-1.6671;-9.1185,-3.8588,-.3626;-9.4358,-2.3252,-1.9578;3.8791,-2.1464,1.8835;-.0424,1.5451,5.0253;-.833,5.9002,1.7709;1.9036,2.764,-1.5905;3.5276,-2.1924,.6399;.0556,.3921,4.4557;-1.3439,4.9615,2.4966;.7923,3.4212,-1.5726;-.1577,-3.8441,-.7596;.7106,-3.1643,-1.6335;.3824,-2.9834,-2.6565;1.9302,-2.6922,-1.1758;2.5864,-2.1358,-1.8492;2.3233,-2.8683,.1697;1.4849,-3.6125,1.0242;1.8006,-3.7738,2.055;.2731,-4.1002,.5582;-.3821,-4.6609,1.228;-2.955,1.6491,-2.5888;-1.7655,.8964,-2.6874;-1.8171,-.1445,-3.0115;-.5414,1.4718,-2.3946;.383,.9063,-2.5056;-.4732,2.8042,-1.9394;-1.6687,3.538,-1.789;-1.617,4.5597,-1.4076;-2.8919,2.9758,-2.1225;-3.8178,3.5441,-2.0405;-5.1176,3.0713,1.795;-4.677,4.1104,.9471;-5.3091,4.4116,.1089;-3.4575,4.7366,1.1565;-3.12,5.5474,.5108;-2.6302,4.3349,2.2228;-3.0737,3.3037,3.0798;-2.4258,2.9879,3.9015;-4.3002,2.6895,2.8774;-4.6453,1.8919,3.5338;-3.2587,-2.0688,3.3897;-3.4781,-.8286,4.0256;-4.5017,-.5278,4.2613;-2.4118,-.0167,4.3774;-2.564,.9196,4.9127;-1.0944,-.4078,4.0714;-.8794,-1.6328,3.408;.1382,-1.9275,3.1455;-1.9428,-2.4547,3.0785;-1.7878,-3.3989,2.5601;4.0793,-1.6484,-.1489;1.039,-.0647,4.2445;-.8123,4.5719,3.3832;.732,4.4661,-1.219;-1.996,-1.1737,.1382;-2.5316,.0061,.5206;-6.8334,-2.4292,-1.1035;-5.697,-2.9708,-.596;-4.7065,-2.1587,-.0745;-4.8542,-.7648,-.0903;-6.0031,-.253,-.6983;-6.9805,-1.0877,-1.1929;-7.8167,-3.214,-1.5161;-3.9673,.2177,.6208;-5.6512,-4.0556,-.6135;-3.8173,-2.6243,.3351;-6.159,.8191,-.7825;-7.9032,-.7388,-1.6436;-.6974,-1.04,.1889;-4.242,.2246,1.6894;3.4475,3.1929,2.8071;2.2514,3.6729,2.1904;1.3972,2.7995,1.573;1.6313,1.4533,1.5771;2.6628,.9589,2.3203;3.5444,1.7806,2.9573;4.3988,3.9689,3.1866;2.067,4.7416,2.1357;.5302,3.1311,1.0064;2.7558,-.1239,2.3316;4.364,1.3492,3.5226;-4.1675,1.2247,.2369;-1.5601,.9129,.8167;-.3816,.2242,.5988;1.0611,.5756,.5428;1.6087,-.371,.5876;1.3082,1.0409,-.4264;-1.7965,1.9213,1.1343;</scalar>
               </formula>
            </molecule>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="99" startLine="99">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="basisset">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="cc:atomType" size="4">c n h o</array>
                     <array dataType="xsd:integer" dictRef="t:atoms" size="4">142 21 117 2</array>
                     <array dataType="xsd:integer" dictRef="t:prim" size="4">46 46 8 46</array>
                     <array dataType="xsd:integer" dictRef="t:cont" size="4">31 31 6 31</array>
                     <array dataType="xsd:string" dictRef="t:basis" size="4">def2-TZVP def2-TZVP def2-TZVP def2-TZVP</array>
                     <array dataType="xsd:string" dictRef="t:contraction" size="4">[5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] [5s3p2d1f|11s6p2d1f]</array>
                  </list>
               </module>
               <module cmlx:templateRef="symmetry">
                  <scalar dataType="xsd:string" dictRef="t:symmetryGroup">c1</scalar>
                  <list cmlx:templateRef="generators" endLine="2045" startLine="2045">
                     <scalar dataType="xsd:string" dictRef="t:generators">c1(z)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="module" id="">
                  <module cmlx:templateRef="title">
                     <scalar dataType="xsd:string" dictRef="cc:title">Memory allocated for RDGRAD: 1137 MiB</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="">
                  <module cmlx:templateRef="atomcoord">
                     <molecule id="atomcoord">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="-1.51119293"
                                 y3="-4.21831788"
                                 z3="-1.15572325"/>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-4.39843234"
                                 y3="-2.89844877"
                                 z3="3.04058003"/>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-6.34378737"
                                 y3="2.35970567"
                                 z3="1.45775996"/>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-4.1993159"
                                 y3="1.02842125"
                                 z3="-3.01421705"/>
                           <atom elementType="N"
                                 id="a5"
                                 x3="-2.03047202"
                                 y3="-3.8675801"
                                 z3="-2.28229799"/>
                           <atom elementType="N"
                                 id="a6"
                                 x3="-4.28054946"
                                 y3="-4.09318061"
                                 z3="2.56876771"/>
                           <atom elementType="N"
                                 id="a7"
                                 x3="-6.7152001"
                                 y3="1.27985643"
                                 z3="2.0612809"/>
                           <atom elementType="N"
                                 id="a8"
                                 x3="-5.30665614"
                                 y3="1.67334158"
                                 z3="-3.1716402"/>
                           <atom elementType="C"
                                 id="a9"
                                 x3="5.33017509"
                                 y3="7.63242564"
                                 z3="2.52036866"/>
                           <atom elementType="C"
                                 id="a10"
                                 x3="6.21598616"
                                 y3="8.44694571"
                                 z3="1.82893275"/>
                           <atom elementType="H"
                                 id="a11"
                                 x3="6.32412154"
                                 y3="9.51890721"
                                 z3="1.95180511"/>
                           <atom elementType="C"
                                 id="a12"
                                 x3="6.95331415"
                                 y3="7.62238338"
                                 z3="0.9290366"/>
                           <atom elementType="H"
                                 id="a13"
                                 x3="7.72261794"
                                 y3="7.95192859"
                                 z3="0.23932408"/>
                           <atom elementType="C"
                                 id="a14"
                                 x3="6.50399601"
                                 y3="6.31987763"
                                 z3="1.08967393"/>
                           <atom elementType="C"
                                 id="a15"
                                 x3="6.83461103"
                                 y3="5.04409025"
                                 z3="0.33822455"/>
                           <atom elementType="C"
                                 id="a16"
                                 x3="5.51963126"
                                 y3="4.41320005"
                                 z3="-0.15836183"/>
                           <atom elementType="C"
                                 id="a17"
                                 x3="5.29664945"
                                 y3="3.03197313"
                                 z3="-0.18682545"/>
                           <atom elementType="H"
                                 id="a18"
                                 x3="6.05870223"
                                 y3="2.35688216"
                                 z3="0.19849986"/>
                           <atom elementType="C"
                                 id="a19"
                                 x3="4.10885244"
                                 y3="2.51207445"
                                 z3="-0.69619892"/>
                           <atom elementType="H"
                                 id="a20"
                                 x3="3.9344139"
                                 y3="1.43539188"
                                 z3="-0.70850663"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a4 a8" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a19 a20" order="S"/>
                        </bondArray>
                        <formula concise="C12H4N4">
                           <atomArray count="12 4 4" elementType="C H N"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">200.15519999999992</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C8H4.4CN/c1-3-5-7-8-6-4-2;4*1-2/h1,3-4,6H;;;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:19,9,17,10,16,12,15,14;1,5;2,6;3,7;4,8/CRV:1.2,2.1,3.3,4.3,5.2,6.3,7.2,8.2;4*1.1,2.1/rA:20nC1C1C1C1N1N1N1N1C1C3HC3HC2C2C2C3HC2H/rB:;;;s1;s2;s3;s4;;s9;s10;s10;s12;s12;s14;s15;s16;s17;s17;s19;/rC:-1.5112,-4.2183,-1.1557;-4.3984,-2.8984,3.0406;-6.3438,2.3597,1.4578;-4.1993,1.0284,-3.0142;-2.0305,-3.8676,-2.2823;-4.2805,-4.0932,2.5688;-6.7152,1.2799,2.0613;-5.3067,1.6733,-3.1716;5.3302,7.6324,2.5204;6.216,8.4469,1.8289;6.3241,9.5189,1.9518;6.9533,7.6224,.929;7.7226,7.9519,.2393;6.504,6.3199,1.0897;6.8346,5.0441,.3382;5.5196,4.4132,-.1584;5.2966,3.032,-.1868;6.0587,2.3569,.1985;4.1089,2.5121,-.6962;3.9344,1.4354,-.7085;</scalar>
                        </formula>
                     </molecule>
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.16764682</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.65272453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.49092525</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.16789139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.65613865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.49168927</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="module" id="">
                  <module cmlx:templateRef="atomcoord">
                     <list cmlx:templateRef="centnuclmass">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.16764933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.65272653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.49092187</scalar>
                     </list>
                     <list cmlx:templateRef="centnuclcharge">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.16789359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.65614038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.49168635</scalar>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:dateEnd">
                  <scalar dataType="xsd:date">2025-03-11T22:44:30.208</scalar>
               </property>
               <property dictRef="t:energy">
                  <scalar dataType="xsd:double" units="nonsi:hartree">-6785.325371872</scalar>
               </property>
            </propertyList>
            <scalar dataType="xsd:date" dictRef="cc:dateEnd">2025-03-11T22:33:32.786</scalar>
            <molecule id="atomcoord">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-1.51114135"
                        y3="-4.21832041"
                        z3="-1.15582683"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-4.39835077"
                        y3="-2.89839605"
                        z3="3.04059931"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-6.34376896"
                        y3="2.3598089"
                        z3="1.45769942"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.19918701"
                        y3="1.02842919"
                        z3="-3.01422976"/>
                  <atom elementType="N"
                        id="a5"
                        x3="-2.03036154"
                        y3="-3.86767469"
                        z3="-2.28233236"/>
                  <atom elementType="N"
                        id="a6"
                        x3="-4.28051572"
                        y3="-4.09314874"
                        z3="2.56897396"/>
                  <atom elementType="N"
                        id="a7"
                        x3="-6.71534959"
                        y3="1.27993696"
                        z3="2.0614243"/>
                  <atom elementType="N"
                        id="a8"
                        x3="-5.30657464"
                        y3="1.67341635"
                        z3="-3.17180558"/>
                  <atom elementType="C"
                        id="a9"
                        x3="5.3301317"
                        y3="7.63234929"
                        z3="2.52035099"/>
                  <atom elementType="C"
                        id="a10"
                        x3="6.21595815"
                        y3="8.44692836"
                        z3="1.82894353"/>
                  <atom elementType="H"
                        id="a11"
                        x3="6.32415563"
                        y3="9.5188944"
                        z3="1.95175509"/>
                  <atom elementType="C"
                        id="a12"
                        x3="6.95336164"
                        y3="7.62229893"
                        z3="0.92902347"/>
                  <atom elementType="H"
                        id="a13"
                        x3="7.72260367"
                        y3="7.95187601"
                        z3="0.23932684"/>
                  <atom elementType="C"
                        id="a14"
                        x3="6.50392734"
                        y3="6.31976791"
                        z3="1.08969149"/>
                  <atom elementType="C"
                        id="a15"
                        x3="6.83456823"
                        y3="5.04403609"
                        z3="0.33821338"/>
                  <atom elementType="C"
                        id="a16"
                        x3="5.51960707"
                        y3="4.41308544"
                        z3="-0.15837852"/>
                  <atom elementType="C"
                        id="a17"
                        x3="5.29661165"
                        y3="3.03196951"
                        z3="-0.18689637"/>
                  <atom elementType="H"
                        id="a18"
                        x3="6.05865227"
                        y3="2.35676594"
                        z3="0.19831854"/>
                  <atom elementType="C"
                        id="a19"
                        x3="4.10881751"
                        y3="2.51211525"
                        z3="-0.69624553"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.93435493"
                        y3="1.43532284"
                        z3="-0.70853297"/>
                  <atom elementType="C"
                        id="a21"
                        x3="3.09681259"
                        y3="3.36108796"
                        z3="-1.17435664"/>
                  <atom elementType="C"
                        id="a22"
                        x3="3.33557684"
                        y3="4.75048492"
                        z3="-1.18313027"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.59503987"
                        y3="5.42967617"
                        z3="-1.606393"/>
                  <atom elementType="C"
                        id="a24"
                        x3="4.52303466"
                        y3="5.25700526"
                        z3="-0.68005985"/>
                  <atom elementType="H"
                        id="a25"
                        x3="4.70063098"
                        y3="6.3335537"
                        z3="-0.68625724"/>
                  <atom elementType="C"
                        id="a26"
                        x3="7.65678137"
                        y3="5.40668982"
                        z3="-0.92031608"/>
                  <atom elementType="H"
                        id="a27"
                        x3="7.88900634"
                        y3="4.49862745"
                        z3="-1.49023774"/>
                  <atom elementType="H"
                        id="a28"
                        x3="8.59681489"
                        y3="5.8976134"
                        z3="-0.63758711"/>
                  <atom elementType="H"
                        id="a29"
                        x3="7.08342369"
                        y3="6.08848635"
                        z3="-1.55899925"/>
                  <atom elementType="C"
                        id="a30"
                        x3="7.65278762"
                        y3="4.08900674"
                        z3="1.18335268"/>
                  <atom elementType="C"
                        id="a31"
                        x3="8.98207085"
                        y3="3.71132804"
                        z3="1.06780917"/>
                  <atom elementType="H"
                        id="a32"
                        x3="9.68207401"
                        y3="4.06338777"
                        z3="0.31864092"/>
                  <atom elementType="C"
                        id="a33"
                        x3="9.26366229"
                        y3="2.78558971"
                        z3="2.11206792"/>
                  <atom elementType="H"
                        id="a34"
                        x3="10.21133415"
                        y3="2.29031289"
                        z3="2.29007359"/>
                  <atom elementType="C"
                        id="a35"
                        x3="8.10313804"
                        y3="2.6090754"
                        z3="2.85089404"/>
                  <atom elementType="C"
                        id="a36"
                        x3="7.79143674"
                        y3="1.59100773"
                        z3="3.93195509"/>
                  <atom elementType="C"
                        id="a37"
                        x3="6.79785023"
                        y3="0.54278837"
                        z3="3.37770171"/>
                  <atom elementType="C"
                        id="a38"
                        x3="6.73623637"
                        y3="0.28312265"
                        z3="1.99749355"/>
                  <atom elementType="H"
                        id="a39"
                        x3="7.40624253"
                        y3="0.82960777"
                        z3="1.33144135"/>
                  <atom elementType="C"
                        id="a40"
                        x3="5.8375727"
                        y3="-0.6347341"
                        z3="1.46871876"/>
                  <atom elementType="H"
                        id="a41"
                        x3="5.8172212"
                        y3="-0.78540573"
                        z3="0.38897027"/>
                  <atom elementType="C"
                        id="a42"
                        x3="4.95264599"
                        y3="-1.33999198"
                        z3="2.31038679"/>
                  <atom elementType="C"
                        id="a43"
                        x3="5.08140493"
                        y3="-1.15042992"
                        z3="3.70006312"/>
                  <atom elementType="H"
                        id="a44"
                        x3="4.41742436"
                        y3="-1.71620654"
                        z3="4.35524706"/>
                  <atom elementType="C"
                        id="a45"
                        x3="5.98334401"
                        y3="-0.2222616"
                        z3="4.22348622"/>
                  <atom elementType="H"
                        id="a46"
                        x3="6.03480737"
                        y3="-0.05484766"
                        z3="5.3009269"/>
                  <atom elementType="C"
                        id="a47"
                        x3="9.08619542"
                        y3="0.81181966"
                        z3="4.26370767"/>
                  <atom elementType="H"
                        id="a48"
                        x3="8.87790735"
                        y3="0.05389562"
                        z3="5.02782408"/>
                  <atom elementType="H"
                        id="a49"
                        x3="9.86209659"
                        y3="1.49306719"
                        z3="4.63606728"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.45651652"
                        y3="0.30229274"
                        z3="3.36625438"/>
                  <atom elementType="C"
                        id="a51"
                        x3="7.27913762"
                        y3="2.2329548"
                        z3="5.20827809"/>
                  <atom elementType="C"
                        id="a52"
                        x3="7.77094062"
                        y3="2.14351207"
                        z3="6.50380505"/>
                  <atom elementType="H"
                        id="a53"
                        x3="8.65514981"
                        y3="1.59745127"
                        z3="6.81252481"/>
                  <atom elementType="C"
                        id="a54"
                        x3="6.91470952"
                        y3="2.90260152"
                        z3="7.35212679"/>
                  <atom elementType="H"
                        id="a55"
                        x3="7.02281935"
                        y3="3.03063503"
                        z3="8.42339417"/>
                  <atom elementType="C"
                        id="a56"
                        x3="5.91374764"
                        y3="3.44675447"
                        z3="6.56236868"/>
                  <atom elementType="C"
                        id="a57"
                        x3="4.68360938"
                        y3="4.25502946"
                        z3="6.93850408"/>
                  <atom elementType="C"
                        id="a58"
                        x3="3.42403187"
                        y3="3.53574461"
                        z3="6.41470714"/>
                  <atom elementType="C"
                        id="a59"
                        x3="3.3822392"
                        y3="2.13317598"
                        z3="6.38333779"/>
                  <atom elementType="H"
                        id="a60"
                        x3="4.25896038"
                        y3="1.57207393"
                        z3="6.71124765"/>
                  <atom elementType="C"
                        id="a61"
                        x3="2.25209447"
                        y3="1.45481313"
                        z3="5.94653037"/>
                  <atom elementType="H"
                        id="a62"
                        x3="2.23798667"
                        y3="0.36453804"
                        z3="5.96291765"/>
                  <atom elementType="C"
                        id="a63"
                        x3="1.11658393"
                        y3="2.16562774"
                        z3="5.50669675"/>
                  <atom elementType="C"
                        id="a64"
                        x3="1.13569725"
                        y3="3.56628962"
                        z3="5.59609185"/>
                  <atom elementType="H"
                        id="a65"
                        x3="0.24442473"
                        y3="4.11849887"
                        z3="5.29698311"/>
                  <atom elementType="C"
                        id="a66"
                        x3="2.27215835"
                        y3="4.23724596"
                        z3="6.03526153"/>
                  <atom elementType="H"
                        id="a67"
                        x3="2.27189472"
                        y3="5.32441685"
                        z3="6.07959053"/>
                  <atom elementType="C"
                        id="a68"
                        x3="4.57099271"
                        y3="4.29523293"
                        z3="8.47992637"/>
                  <atom elementType="H"
                        id="a69"
                        x3="3.67360691"
                        y3="4.85424149"
                        z3="8.77181879"/>
                  <atom elementType="H"
                        id="a70"
                        x3="5.45023934"
                        y3="4.78378265"
                        z3="8.91969139"/>
                  <atom elementType="H"
                        id="a71"
                        x3="4.49840906"
                        y3="3.27589515"
                        z3="8.87799939"/>
                  <atom elementType="C"
                        id="a72"
                        x3="4.74626802"
                        y3="5.68182967"
                        z3="6.42471024"/>
                  <atom elementType="C"
                        id="a73"
                        x3="4.8963868"
                        y3="6.88732247"
                        z3="7.09680703"/>
                  <atom elementType="H"
                        id="a74"
                        x3="5.06327442"
                        y3="7.00860241"
                        z3="8.16145479"/>
                  <atom elementType="C"
                        id="a75"
                        x3="4.78670558"
                        y3="7.93696954"
                        z3="6.13702855"/>
                  <atom elementType="H"
                        id="a76"
                        x3="4.85179442"
                        y3="9.00046872"
                        z3="6.33934188"/>
                  <atom elementType="C"
                        id="a77"
                        x3="4.57259162"
                        y3="7.35345913"
                        z3="4.8958618"/>
                  <atom elementType="C"
                        id="a78"
                        x3="4.2616623"
                        y3="7.96434593"
                        z3="3.54102633"/>
                  <atom elementType="C"
                        id="a79"
                        x3="2.88115949"
                        y3="7.46774855"
                        z3="3.05608784"/>
                  <atom elementType="C"
                        id="a80"
                        x3="1.87231246"
                        y3="7.18177194"
                        z3="3.98758547"/>
                  <atom elementType="H"
                        id="a81"
                        x3="2.08061678"
                        y3="7.33489064"
                        z3="5.04791489"/>
                  <atom elementType="C"
                        id="a82"
                        x3="0.63229841"
                        y3="6.70198189"
                        z3="3.58616096"/>
                  <atom elementType="H"
                        id="a83"
                        x3="-0.13942549"
                        y3="6.49609898"
                        z3="4.32855382"/>
                  <atom elementType="C"
                        id="a84"
                        x3="0.35386263"
                        y3="6.49747416"
                        z3="2.21880052"/>
                  <atom elementType="C"
                        id="a85"
                        x3="1.31872827"
                        y3="6.89647106"
                        z3="1.27622807"/>
                  <atom elementType="H"
                        id="a86"
                        x3="1.08996137"
                        y3="6.78430873"
                        z3="0.21575281"/>
                  <atom elementType="C"
                        id="a87"
                        x3="2.56999076"
                        y3="7.3490945"
                        z3="1.6931255"/>
                  <atom elementType="H"
                        id="a88"
                        x3="3.33033337"
                        y3="7.59898105"
                        z3="0.95338596"/>
                  <atom elementType="C"
                        id="a89"
                        x3="4.17015874"
                        y3="9.49821353"
                        z3="3.69041545"/>
                  <atom elementType="H"
                        id="a90"
                        x3="3.38391574"
                        y3="9.75862711"
                        z3="4.40894168"/>
                  <atom elementType="H"
                        id="a91"
                        x3="3.92702802"
                        y3="9.95441842"
                        z3="2.72298995"/>
                  <atom elementType="H"
                        id="a92"
                        x3="5.12462029"
                        y3="9.90721252"
                        z3="4.04640021"/>
                  <atom elementType="N"
                        id="a93"
                        x3="5.52772321"
                        y3="6.34671784"
                        z3="2.06323001"/>
                  <atom elementType="N"
                        id="a94"
                        x3="7.13842736"
                        y3="3.41713824"
                        z3="2.27575236"/>
                  <atom elementType="N"
                        id="a95"
                        x3="6.15131916"
                        y3="3.03107504"
                        z3="5.26673172"/>
                  <atom elementType="N"
                        id="a96"
                        x3="4.56574201"
                        y3="5.98839871"
                        z3="5.09322696"/>
                  <atom elementType="H"
                        id="a97"
                        x3="6.16501284"
                        y3="3.4986145"
                        z3="2.58280168"/>
                  <atom elementType="H"
                        id="a98"
                        x3="4.98197818"
                        y3="5.52838389"
                        z3="2.35662101"/>
                  <atom elementType="H"
                        id="a99"
                        x3="4.35990278"
                        y3="5.29010659"
                        z3="4.36914553"/>
                  <atom elementType="H"
                        id="a100"
                        x3="5.53857388"
                        y3="3.28068279"
                        z3="4.48067687"/>
                  <atom elementType="H"
                        id="a101"
                        x3="-2.08769922"
                        y3="-4.7879346"
                        z3="-0.40212585"/>
                  <atom elementType="H"
                        id="a102"
                        x3="-5.38537238"
                        y3="-2.41680773"
                        z3="3.16395149"/>
                  <atom elementType="H"
                        id="a103"
                        x3="-6.88892211"
                        y3="2.76743589"
                        z3="0.58696513"/>
                  <atom elementType="H"
                        id="a104"
                        x3="-4.13574458"
                        y3="-0.0577174"
                        z3="-3.20861136"/>
                  <atom elementType="C"
                        id="a105"
                        x3="-8.70829796"
                        y3="-6.90359524"
                        z3="-1.06632932"/>
                  <atom elementType="C"
                        id="a106"
                        x3="-8.85832139"
                        y3="-8.08597447"
                        z3="-1.77708153"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-9.29650936"
                        y3="-9.00431469"
                        z3="-1.40176625"/>
                  <atom elementType="C"
                        id="a108"
                        x3="-8.32487705"
                        y3="-7.87961871"
                        z3="-3.08466164"/>
                  <atom elementType="H"
                        id="a109"
                        x3="-8.28559905"
                        y3="-8.61055289"
                        z3="-3.88506727"/>
                  <atom elementType="C"
                        id="a110"
                        x3="-7.85918485"
                        y3="-6.57469964"
                        z3="-3.14683968"/>
                  <atom elementType="C"
                        id="a111"
                        x3="-7.11651116"
                        y3="-5.81137884"
                        z3="-4.22804939"/>
                  <atom elementType="C"
                        id="a112"
                        x3="-5.83098142"
                        y3="-5.20688169"
                        z3="-3.61711219"/>
                  <atom elementType="C"
                        id="a113"
                        x3="-5.33187956"
                        y3="-3.94247684"
                        z3="-3.95660767"/>
                  <atom elementType="H"
                        id="a114"
                        x3="-5.91463304"
                        y3="-3.29860326"
                        z3="-4.61375042"/>
                  <atom elementType="C"
                        id="a115"
                        x3="-4.08898141"
                        y3="-3.50878397"
                        z3="-3.49231177"/>
                  <atom elementType="H"
                        id="a116"
                        x3="-3.69805342"
                        y3="-2.53289516"
                        z3="-3.78337586"/>
                  <atom elementType="C"
                        id="a117"
                        x3="-3.30281511"
                        y3="-4.31856905"
                        z3="-2.6527027"/>
                  <atom elementType="C"
                        id="a118"
                        x3="-3.81379849"
                        y3="-5.5844111"
                        z3="-2.29429927"/>
                  <atom elementType="H"
                        id="a119"
                        x3="-3.2054365"
                        y3="-6.25869115"
                        z3="-1.68989756"/>
                  <atom elementType="C"
                        id="a120"
                        x3="-5.05001287"
                        y3="-6.00908304"
                        z3="-2.76702817"/>
                  <atom elementType="H"
                        id="a121"
                        x3="-5.41701102"
                        y3="-7.00213283"
                        z3="-2.50165958"/>
                  <atom elementType="C"
                        id="a122"
                        x3="-6.65931623"
                        y3="-6.80965759"
                        z3="-5.31700566"/>
                  <atom elementType="H"
                        id="a123"
                        x3="-6.10655437"
                        y3="-6.27961956"
                        z3="-6.10225419"/>
                  <atom elementType="H"
                        id="a124"
                        x3="-7.52567906"
                        y3="-7.30908557"
                        z3="-5.76876573"/>
                  <atom elementType="H"
                        id="a125"
                        x3="-6.00444023"
                        y3="-7.5715506"
                        z3="-4.87802573"/>
                  <atom elementType="C"
                        id="a126"
                        x3="-8.01904176"
                        y3="-4.78138914"
                        z3="-4.88192278"/>
                  <atom elementType="C"
                        id="a127"
                        x3="-8.5716775"
                        y3="-4.75415853"
                        z3="-6.15491696"/>
                  <atom elementType="H"
                        id="a128"
                        x3="-8.41779256"
                        y3="-5.49273477"
                        z3="-6.93348829"/>
                  <atom elementType="C"
                        id="a129"
                        x3="-9.39087483"
                        y3="-3.59292993"
                        z3="-6.24997002"/>
                  <atom elementType="H"
                        id="a130"
                        x3="-9.95321646"
                        y3="-3.27666704"
                        z3="-7.12134"/>
                  <atom elementType="C"
                        id="a131"
                        x3="-9.3302087"
                        y3="-2.92785718"
                        z3="-5.03394555"/>
                  <atom elementType="C"
                        id="a132"
                        x3="-9.84634837"
                        y3="-1.55425097"
                        z3="-4.64447064"/>
                  <atom elementType="C"
                        id="a133"
                        x3="-8.65018329"
                        y3="-0.62820677"
                        z3="-4.33708825"/>
                  <atom elementType="C"
                        id="a134"
                        x3="-7.38771947"
                        y3="-0.89597316"
                        z3="-4.88503329"/>
                  <atom elementType="H"
                        id="a135"
                        x3="-7.27986425"
                        y3="-1.73479153"
                        z3="-5.57401231"/>
                  <atom elementType="C"
                        id="a136"
                        x3="-6.2817067"
                        y3="-0.12483425"
                        z3="-4.55400186"/>
                  <atom elementType="H"
                        id="a137"
                        x3="-5.31095916"
                        y3="-0.35392212"
                        z3="-4.99437366"/>
                  <atom elementType="C"
                        id="a138"
                        x3="-6.40767858"
                        y3="0.95912912"
                        z3="-3.66276096"/>
                  <atom elementType="C"
                        id="a139"
                        x3="-7.69676781"
                        y3="1.31727754"
                        z3="-3.22704904"/>
                  <atom elementType="H"
                        id="a140"
                        x3="-7.80594712"
                        y3="2.19283339"
                        z3="-2.58551023"/>
                  <atom elementType="C"
                        id="a141"
                        x3="-8.79540133"
                        y3="0.51843353"
                        z3="-3.54097547"/>
                  <atom elementType="H"
                        id="a142"
                        x3="-9.78057272"
                        y3="0.76194012"
                        z3="-3.1387568"/>
                  <atom elementType="C"
                        id="a143"
                        x3="-10.59768176"
                        y3="-0.94648647"
                        z3="-5.84946041"/>
                  <atom elementType="H"
                        id="a144"
                        x3="-10.94965137"
                        y3="0.06165362"
                        z3="-5.60078438"/>
                  <atom elementType="H"
                        id="a145"
                        x3="-11.46045149"
                        y3="-1.56870842"
                        z3="-6.1213916"/>
                  <atom elementType="H"
                        id="a146"
                        x3="-9.92429637"
                        y3="-0.8769432"
                        z3="-6.71178002"/>
                  <atom elementType="C"
                        id="a147"
                        x3="-10.78024918"
                        y3="-1.57773239"
                        z3="-3.44981129"/>
                  <atom elementType="C"
                        id="a148"
                        x3="-12.0890419"
                        y3="-1.13639324"
                        z3="-3.3212927"/>
                  <atom elementType="H"
                        id="a149"
                        x3="-12.71813678"
                        y3="-0.77028027"
                        z3="-4.1248565"/>
                  <atom elementType="C"
                        id="a150"
                        x3="-12.45222432"
                        y3="-1.23550036"
                        z3="-1.9461616"/>
                  <atom elementType="H"
                        id="a151"
                        x3="-13.41008786"
                        y3="-0.9676346"
                        z3="-1.51425152"/>
                  <atom elementType="C"
                        id="a152"
                        x3="-11.35818437"
                        y3="-1.73503408"
                        z3="-1.25625836"/>
                  <atom elementType="C"
                        id="a153"
                        x3="-11.13767679"
                        y3="-1.97170889"
                        z3="0.22713707"/>
                  <atom elementType="C"
                        id="a154"
                        x3="-9.92584173"
                        y3="-1.13557018"
                        z3="0.69459714"/>
                  <atom elementType="C"
                        id="a155"
                        x3="-9.83626927"
                        y3="0.20932256"
                        z3="0.28476698"/>
                  <atom elementType="H"
                        id="a156"
                        x3="-10.58702258"
                        y3="0.59425009"
                        z3="-0.40835575"/>
                  <atom elementType="C"
                        id="a157"
                        x3="-8.8296592"
                        y3="1.04659039"
                        z3="0.74375959"/>
                  <atom elementType="H"
                        id="a158"
                        x3="-8.82005911"
                        y3="2.0885153"
                        z3="0.42220458"/>
                  <atom elementType="C"
                        id="a159"
                        x3="-7.83541152"
                        y3="0.55778491"
                        z3="1.62049871"/>
                  <atom elementType="C"
                        id="a160"
                        x3="-7.93527271"
                        y3="-0.77831546"
                        z3="2.04298173"/>
                  <atom elementType="H"
                        id="a161"
                        x3="-7.17248052"
                        y3="-1.15738622"
                        z3="2.72418989"/>
                  <atom elementType="C"
                        id="a162"
                        x3="-8.95789884"
                        y3="-1.61073447"
                        z3="1.58692274"/>
                  <atom elementType="H"
                        id="a163"
                        x3="-9.00260198"
                        y3="-2.64384856"
                        z3="1.92773524"/>
                  <atom elementType="C"
                        id="a164"
                        x3="-12.36133195"
                        y3="-1.42602764"
                        z3="1.00130304"/>
                  <atom elementType="H"
                        id="a165"
                        x3="-12.21324376"
                        y3="-1.56833818"
                        z3="2.07865964"/>
                  <atom elementType="H"
                        id="a166"
                        x3="-13.27384657"
                        y3="-1.95270803"
                        z3="0.69491753"/>
                  <atom elementType="H"
                        id="a167"
                        x3="-12.4898358"
                        y3="-0.35586627"
                        z3="0.80231642"/>
                  <atom elementType="C"
                        id="a168"
                        x3="-11.006934"
                        y3="-3.44929987"
                        z3="0.54152565"/>
                  <atom elementType="C"
                        id="a169"
                        x3="-11.86774842"
                        y3="-4.29198062"
                        z3="1.23101867"/>
                  <atom elementType="H"
                        id="a170"
                        x3="-12.81175654"
                        y3="-4.00909487"
                        z3="1.68267069"/>
                  <atom elementType="C"
                        id="a171"
                        x3="-11.29844693"
                        y3="-5.59762849"
                        z3="1.22680534"/>
                  <atom elementType="H"
                        id="a172"
                        x3="-11.71849875"
                        y3="-6.48185681"
                        z3="1.69329732"/>
                  <atom elementType="C"
                        id="a173"
                        x3="-10.09951194"
                        y3="-5.53539358"
                        z3="0.53353397"/>
                  <atom elementType="C"
                        id="a174"
                        x3="-8.99189062"
                        y3="-6.56279577"
                        z3="0.38223362"/>
                  <atom elementType="C"
                        id="a175"
                        x3="-7.72090725"
                        y3="-6.00491267"
                        z3="1.05578126"/>
                  <atom elementType="C"
                        id="a176"
                        x3="-7.83520038"
                        y3="-5.14160783"
                        z3="2.15759792"/>
                  <atom elementType="H"
                        id="a177"
                        x3="-8.82933868"
                        y3="-4.92731042"
                        z3="2.55524765"/>
                  <atom elementType="C"
                        id="a178"
                        x3="-6.71916538"
                        y3="-4.54312739"
                        z3="2.72472897"/>
                  <atom elementType="H"
                        id="a179"
                        x3="-6.84155587"
                        y3="-3.87682491"
                        z3="3.57921442"/>
                  <atom elementType="C"
                        id="a180"
                        x3="-5.43558515"
                        y3="-4.79104016"
                        z3="2.19686896"/>
                  <atom elementType="C"
                        id="a181"
                        x3="-5.30734023"
                        y3="-5.76229326"
                        z3="1.18898869"/>
                  <atom elementType="H"
                        id="a182"
                        x3="-4.30748487"
                        y3="-5.99273203"
                        z3="0.81907561"/>
                  <atom elementType="C"
                        id="a183"
                        x3="-6.43543249"
                        y3="-6.34756832"
                        z3="0.61713196"/>
                  <atom elementType="H"
                        id="a184"
                        x3="-6.32368279"
                        y3="-7.05280272"
                        z3="-0.20612565"/>
                  <atom elementType="C"
                        id="a185"
                        x3="-9.3930158"
                        y3="-7.85250368"
                        z3="1.12951456"/>
                  <atom elementType="H"
                        id="a186"
                        x3="-9.56572502"
                        y3="-7.63575084"
                        z3="2.19057372"/>
                  <atom elementType="H"
                        id="a187"
                        x3="-8.58789423"
                        y3="-8.59305517"
                        z3="1.04917261"/>
                  <atom elementType="H"
                        id="a188"
                        x3="-10.30978964"
                        y3="-8.27762538"
                        z3="0.70084746"/>
                  <atom elementType="N"
                        id="a189"
                        x3="-8.11252025"
                        y3="-5.99991046"
                        z3="-1.92075595"/>
                  <atom elementType="N"
                        id="a190"
                        x3="-8.50076786"
                        y3="-3.67214476"
                        z3="-4.21593654"/>
                  <atom elementType="N"
                        id="a191"
                        x3="-10.35633993"
                        y3="-1.93736042"
                        z3="-2.18479855"/>
                  <atom elementType="N"
                        id="a192"
                        x3="-9.94701189"
                        y3="-4.22617533"
                        z3="0.11575121"/>
                  <atom elementType="H"
                        id="a193"
                        x3="-8.19353774"
                        y3="-3.40331752"
                        z3="-3.27519293"/>
                  <atom elementType="H"
                        id="a194"
                        x3="-7.81472602"
                        y3="-5.05354944"
                        z3="-1.66711339"/>
                  <atom elementType="H"
                        id="a195"
                        x3="-9.11846974"
                        y3="-3.85877572"
                        z3="-0.36260204"/>
                  <atom elementType="H"
                        id="a196"
                        x3="-9.43579192"
                        y3="-2.32523518"
                        z3="-1.95782183"/>
                  <atom elementType="N"
                        id="a197"
                        x3="3.87906849"
                        y3="-2.14640922"
                        z3="1.88349767"/>
                  <atom elementType="N"
                        id="a198"
                        x3="-0.04236315"
                        y3="1.54505083"
                        z3="5.02529977"/>
                  <atom elementType="N"
                        id="a199"
                        x3="-0.83304708"
                        y3="5.90021732"
                        z3="1.77087427"/>
                  <atom elementType="N"
                        id="a200"
                        x3="1.90356315"
                        y3="2.76400049"
                        z3="-1.59048323"/>
                  <atom elementType="C"
                        id="a201"
                        x3="3.52755544"
                        y3="-2.19244018"
                        z3="0.63991713"/>
                  <atom elementType="C"
                        id="a202"
                        x3="0.05561512"
                        y3="0.39212437"
                        z3="4.45573447"/>
                  <atom elementType="C"
                        id="a203"
                        x3="-1.34386128"
                        y3="4.96150997"
                        z3="2.49658268"/>
                  <atom elementType="C"
                        id="a204"
                        x3="0.79231711"
                        y3="3.42119485"
                        z3="-1.57257992"/>
                  <atom elementType="C"
                        id="a205"
                        x3="-0.15765976"
                        y3="-3.8440902"
                        z3="-0.75956001"/>
                  <atom elementType="C"
                        id="a206"
                        x3="0.71061554"
                        y3="-3.16433502"
                        z3="-1.63346116"/>
                  <atom elementType="H"
                        id="a207"
                        x3="0.38240966"
                        y3="-2.983395"
                        z3="-2.65647864"/>
                  <atom elementType="C"
                        id="a208"
                        x3="1.93024621"
                        y3="-2.69215399"
                        z3="-1.17581706"/>
                  <atom elementType="H"
                        id="a209"
                        x3="2.58635498"
                        y3="-2.13581813"
                        z3="-1.84920956"/>
                  <atom elementType="C"
                        id="a210"
                        x3="2.32329381"
                        y3="-2.86830487"
                        z3="0.16974534"/>
                  <atom elementType="C"
                        id="a211"
                        x3="1.48492735"
                        y3="-3.61248146"
                        z3="1.02417079"/>
                  <atom elementType="H"
                        id="a212"
                        x3="1.8005999"
                        y3="-3.77375542"
                        z3="2.05499475"/>
                  <atom elementType="C"
                        id="a213"
                        x3="0.27305246"
                        y3="-4.10015632"
                        z3="0.55818858"/>
                  <atom elementType="H"
                        id="a214"
                        x3="-0.38209364"
                        y3="-4.66086158"
                        z3="1.22804307"/>
                  <atom elementType="C"
                        id="a215"
                        x3="-2.9550363"
                        y3="1.64905115"
                        z3="-2.58882659"/>
                  <atom elementType="C"
                        id="a216"
                        x3="-1.76553513"
                        y3="0.89642522"
                        z3="-2.68735553"/>
                  <atom elementType="H"
                        id="a217"
                        x3="-1.81708533"
                        y3="-0.14446774"
                        z3="-3.01145081"/>
                  <atom elementType="C"
                        id="a218"
                        x3="-0.54137744"
                        y3="1.47178382"
                        z3="-2.3945564"/>
                  <atom elementType="H"
                        id="a219"
                        x3="0.38296992"
                        y3="0.90634944"
                        z3="-2.50562126"/>
                  <atom elementType="C"
                        id="a220"
                        x3="-0.47324604"
                        y3="2.80422219"
                        z3="-1.93940719"/>
                  <atom elementType="C"
                        id="a221"
                        x3="-1.668685"
                        y3="3.53804083"
                        z3="-1.78902536"/>
                  <atom elementType="H"
                        id="a222"
                        x3="-1.61704852"
                        y3="4.55968605"
                        z3="-1.40763583"/>
                  <atom elementType="C"
                        id="a223"
                        x3="-2.89189979"
                        y3="2.97584845"
                        z3="-2.12250318"/>
                  <atom elementType="H"
                        id="a224"
                        x3="-3.81778472"
                        y3="3.54413256"
                        z3="-2.04051669"/>
                  <atom elementType="C"
                        id="a225"
                        x3="-5.11764799"
                        y3="3.07126897"
                        z3="1.79500812"/>
                  <atom elementType="C"
                        id="a226"
                        x3="-4.6770444"
                        y3="4.11044176"
                        z3="0.94710806"/>
                  <atom elementType="H"
                        id="a227"
                        x3="-5.30909239"
                        y3="4.41161537"
                        z3="0.10892233"/>
                  <atom elementType="C"
                        id="a228"
                        x3="-3.45747651"
                        y3="4.73664954"
                        z3="1.15646702"/>
                  <atom elementType="H"
                        id="a229"
                        x3="-3.12003882"
                        y3="5.54740773"
                        z3="0.51079887"/>
                  <atom elementType="C"
                        id="a230"
                        x3="-2.63015383"
                        y3="4.33493939"
                        z3="2.22276002"/>
                  <atom elementType="C"
                        id="a231"
                        x3="-3.07374397"
                        y3="3.30372325"
                        z3="3.07980277"/>
                  <atom elementType="H"
                        id="a232"
                        x3="-2.42584302"
                        y3="2.98786903"
                        z3="3.90147983"/>
                  <atom elementType="C"
                        id="a233"
                        x3="-4.30020795"
                        y3="2.68952643"
                        z3="2.87742388"/>
                  <atom elementType="H"
                        id="a234"
                        x3="-4.64532335"
                        y3="1.89185838"
                        z3="3.53384545"/>
                  <atom elementType="C"
                        id="a235"
                        x3="-3.25874649"
                        y3="-2.0687904"
                        z3="3.3896734"/>
                  <atom elementType="C"
                        id="a236"
                        x3="-3.47814778"
                        y3="-0.82861824"
                        z3="4.02563282"/>
                  <atom elementType="H"
                        id="a237"
                        x3="-4.50165552"
                        y3="-0.527784"
                        z3="4.26125426"/>
                  <atom elementType="C"
                        id="a238"
                        x3="-2.41182346"
                        y3="-0.01671862"
                        z3="4.3773917"/>
                  <atom elementType="H"
                        id="a239"
                        x3="-2.56402123"
                        y3="0.9196279"
                        z3="4.9126828"/>
                  <atom elementType="C"
                        id="a240"
                        x3="-1.09442502"
                        y3="-0.40779622"
                        z3="4.07141366"/>
                  <atom elementType="C"
                        id="a241"
                        x3="-0.87944308"
                        y3="-1.63278338"
                        z3="3.40803059"/>
                  <atom elementType="H"
                        id="a242"
                        x3="0.13823944"
                        y3="-1.92754131"
                        z3="3.14546445"/>
                  <atom elementType="C"
                        id="a243"
                        x3="-1.9428005"
                        y3="-2.45467254"
                        z3="3.07847535"/>
                  <atom elementType="H"
                        id="a244"
                        x3="-1.78780053"
                        y3="-3.39886587"
                        z3="2.56014249"/>
                  <atom elementType="H"
                        id="a245"
                        x3="4.07932304"
                        y3="-1.64841161"
                        z3="-0.14887277"/>
                  <atom elementType="H"
                        id="a246"
                        x3="1.03897821"
                        y3="-0.06473712"
                        z3="4.24446934"/>
                  <atom elementType="H"
                        id="a247"
                        x3="-0.81232238"
                        y3="4.57193395"
                        z3="3.38321405"/>
                  <atom elementType="H"
                        id="a248"
                        x3="0.73197285"
                        y3="4.46613286"
                        z3="-1.21899797"/>
                  <atom elementType="N"
                        id="a249"
                        x3="-1.99599546"
                        y3="-1.17369721"
                        z3="0.13819422"/>
                  <atom elementType="N"
                        id="a250"
                        x3="-2.53156503"
                        y3="0.00606997"
                        z3="0.5206044"/>
                  <atom elementType="N"
                        id="a251"
                        x3="-6.83336536"
                        y3="-2.42919819"
                        z3="-1.10345101"/>
                  <atom elementType="C"
                        id="a252"
                        x3="-5.69704724"
                        y3="-2.97084597"
                        z3="-0.59595738"/>
                  <atom elementType="C"
                        id="a253"
                        x3="-4.70645415"
                        y3="-2.15868294"
                        z3="-0.07454884"/>
                  <atom elementType="C"
                        id="a254"
                        x3="-4.8541771"
                        y3="-0.76478274"
                        z3="-0.09030575"/>
                  <atom elementType="C"
                        id="a255"
                        x3="-6.00308901"
                        y3="-0.25299172"
                        z3="-0.69829807"/>
                  <atom elementType="C"
                        id="a256"
                        x3="-6.98047339"
                        y3="-1.08768036"
                        z3="-1.19291844"/>
                  <atom elementType="O"
                        id="a257"
                        x3="-7.81673835"
                        y3="-3.21399661"
                        z3="-1.51614679"/>
                  <atom elementType="C"
                        id="a258"
                        x3="-3.96729662"
                        y3="0.21773659"
                        z3="0.62081209"/>
                  <atom elementType="H"
                        id="a259"
                        x3="-5.6512103"
                        y3="-4.05557308"
                        z3="-0.61348263"/>
                  <atom elementType="H"
                        id="a260"
                        x3="-3.8173476"
                        y3="-2.62426149"
                        z3="0.33511145"/>
                  <atom elementType="H"
                        id="a261"
                        x3="-6.1590288"
                        y3="0.81912257"
                        z3="-0.78248901"/>
                  <atom elementType="H"
                        id="a262"
                        x3="-7.90319818"
                        y3="-0.7388313"
                        z3="-1.64355557"/>
                  <atom elementType="N"
                        id="a263"
                        x3="-0.69739328"
                        y3="-1.04002711"
                        z3="0.18890377"/>
                  <atom elementType="H"
                        id="a264"
                        x3="-4.2420133"
                        y3="0.22464655"
                        z3="1.68938019"/>
                  <atom elementType="C"
                        id="a265"
                        x3="3.44750549"
                        y3="3.1929208"
                        z3="2.80713408"/>
                  <atom elementType="C"
                        id="a266"
                        x3="2.25141881"
                        y3="3.67293782"
                        z3="2.19039494"/>
                  <atom elementType="C"
                        id="a267"
                        x3="1.39719023"
                        y3="2.79949987"
                        z3="1.57300493"/>
                  <atom elementType="N"
                        id="a268"
                        x3="1.63126234"
                        y3="1.45332027"
                        z3="1.57705397"/>
                  <atom elementType="C"
                        id="a269"
                        x3="2.66279386"
                        y3="0.9588602"
                        z3="2.32032395"/>
                  <atom elementType="C"
                        id="a270"
                        x3="3.54437199"
                        y3="1.78055388"
                        z3="2.95729153"/>
                  <atom elementType="O"
                        id="a271"
                        x3="4.39876286"
                        y3="3.96894217"
                        z3="3.18656175"/>
                  <atom elementType="H"
                        id="a272"
                        x3="2.06701041"
                        y3="4.741624"
                        z3="2.13571751"/>
                  <atom elementType="H"
                        id="a273"
                        x3="0.53024259"
                        y3="3.13107043"
                        z3="1.00636591"/>
                  <atom elementType="H"
                        id="a274"
                        x3="2.75575982"
                        y3="-0.12385166"
                        z3="2.33163936"/>
                  <atom elementType="H"
                        id="a275"
                        x3="4.36400166"
                        y3="1.34918988"
                        z3="3.52260998"/>
                  <atom elementType="H"
                        id="a276"
                        x3="-4.16746751"
                        y3="1.22469254"
                        z3="0.23686584"/>
                  <atom elementType="C"
                        id="a277"
                        x3="-1.56007238"
                        y3="0.91294927"
                        z3="0.81669822"/>
                  <atom elementType="C"
                        id="a278"
                        x3="-0.38161012"
                        y3="0.22420442"
                        z3="0.59878176"/>
                  <atom elementType="C"
                        id="a279"
                        x3="1.06111466"
                        y3="0.57562315"
                        z3="0.54277978"/>
                  <atom elementType="H"
                        id="a280"
                        x3="1.60865866"
                        y3="-0.3710155"
                        z3="0.58762646"/>
                  <atom elementType="H"
                        id="a281"
                        x3="1.30815542"
                        y3="1.04089926"
                        z3="-0.42639292"/>
                  <atom elementType="H"
                        id="a282"
                        x3="-1.79645829"
                        y3="1.92132528"
                        z3="1.13433553"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a205" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a101" order="S"/>
                  <bond atomRefs2="a2 a235" order="S"/>
                  <bond atomRefs2="a2 a102" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a225" order="S"/>
                  <bond atomRefs2="a3 a103" order="S"/>
                  <bond atomRefs2="a4 a104" order="S"/>
                  <bond atomRefs2="a4 a215" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a117" order="S"/>
                  <bond atomRefs2="a6 a180" order="S"/>
                  <bond atomRefs2="a7 a159" order="S"/>
                  <bond atomRefs2="a8 a138" order="S"/>
                  <bond atomRefs2="a9 a78" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a93" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a14 a93" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a30" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a200" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a94" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a94" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a197" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a51 a95" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a52 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a54 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a56 a95" order="S"/>
                  <bond atomRefs2="a57 a68" order="S"/>
                  <bond atomRefs2="a57 a72" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a66" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
                  <bond atomRefs2="a63 a198" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a64 a66" order="S"/>
                  <bond atomRefs2="a64 a65" order="S"/>
                  <bond atomRefs2="a66 a67" order="S"/>
                  <bond atomRefs2="a68 a70" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a72 a96" order="S"/>
                  <bond atomRefs2="a72 a73" order="S"/>
                  <bond atomRefs2="a73 a75" order="S"/>
                  <bond atomRefs2="a73 a74" order="S"/>
                  <bond atomRefs2="a75 a76" order="S"/>
                  <bond atomRefs2="a75 a77" order="S"/>
                  <bond atomRefs2="a77 a96" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a78 a89" order="S"/>
                  <bond atomRefs2="a78 a79" order="S"/>
                  <bond atomRefs2="a79 a80" order="S"/>
                  <bond atomRefs2="a79 a87" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
                  <bond atomRefs2="a80 a82" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a84" order="S"/>
                  <bond atomRefs2="a84 a85" order="S"/>
                  <bond atomRefs2="a84 a199" order="S"/>
                  <bond atomRefs2="a85 a87" order="S"/>
                  <bond atomRefs2="a85 a86" order="S"/>
                  <bond atomRefs2="a87 a88" order="S"/>
                  <bond atomRefs2="a89 a90" order="S"/>
                  <bond atomRefs2="a89 a91" order="S"/>
                  <bond atomRefs2="a89 a92" order="S"/>
                  <bond atomRefs2="a93 a98" order="S"/>
                  <bond atomRefs2="a94 a97" order="S"/>
                  <bond atomRefs2="a95 a100" order="S"/>
                  <bond atomRefs2="a96 a99" order="S"/>
                  <bond atomRefs2="a105 a189" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a105 a174" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a106 a108" order="S"/>
                  <bond atomRefs2="a108 a109" order="S"/>
                  <bond atomRefs2="a108 a110" order="S"/>
                  <bond atomRefs2="a110 a189" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a111 a122" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a111 a126" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a120" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a115 a117" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a120 a121" order="S"/>
                  <bond atomRefs2="a122 a123" order="S"/>
                  <bond atomRefs2="a122 a124" order="S"/>
                  <bond atomRefs2="a122 a125" order="S"/>
                  <bond atomRefs2="a126 a190" order="S"/>
                  <bond atomRefs2="a126 a127" order="S"/>
                  <bond atomRefs2="a127 a129" order="S"/>
                  <bond atomRefs2="a127 a128" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a129 a130" order="S"/>
                  <bond atomRefs2="a131 a190" order="S"/>
                  <bond atomRefs2="a131 a132" order="S"/>
                  <bond atomRefs2="a132 a143" order="S"/>
                  <bond atomRefs2="a132 a147" order="S"/>
                  <bond atomRefs2="a132 a133" order="S"/>
                  <bond atomRefs2="a133 a141" order="S"/>
                  <bond atomRefs2="a133 a134" order="S"/>
                  <bond atomRefs2="a134 a136" order="S"/>
                  <bond atomRefs2="a134 a135" order="S"/>
                  <bond atomRefs2="a136 a137" order="S"/>
                  <bond atomRefs2="a136 a138" order="S"/>
                  <bond atomRefs2="a138 a139" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
                  <bond atomRefs2="a139 a141" order="S"/>
                  <bond atomRefs2="a141 a142" order="S"/>
                  <bond atomRefs2="a143 a146" order="S"/>
                  <bond atomRefs2="a143 a144" order="S"/>
                  <bond atomRefs2="a143 a145" order="S"/>
                  <bond atomRefs2="a147 a191" order="S"/>
                  <bond atomRefs2="a147 a148" order="S"/>
                  <bond atomRefs2="a148 a150" order="S"/>
                  <bond atomRefs2="a148 a149" order="S"/>
                  <bond atomRefs2="a150 a152" order="S"/>
                  <bond atomRefs2="a150 a151" order="S"/>
                  <bond atomRefs2="a152 a153" order="S"/>
                  <bond atomRefs2="a152 a191" order="S"/>
                  <bond atomRefs2="a153 a164" order="S"/>
                  <bond atomRefs2="a153 a154" order="S"/>
                  <bond atomRefs2="a153 a168" order="S"/>
                  <bond atomRefs2="a154 a155" order="S"/>
                  <bond atomRefs2="a154 a162" order="S"/>
                  <bond atomRefs2="a155 a157" order="S"/>
                  <bond atomRefs2="a155 a156" order="S"/>
                  <bond atomRefs2="a157 a158" order="S"/>
                  <bond atomRefs2="a157 a159" order="S"/>
                  <bond atomRefs2="a159 a160" order="S"/>
                  <bond atomRefs2="a160 a162" order="S"/>
                  <bond atomRefs2="a160 a161" order="S"/>
                  <bond atomRefs2="a162 a163" order="S"/>
                  <bond atomRefs2="a164 a167" order="S"/>
                  <bond atomRefs2="a164 a166" order="S"/>
                  <bond atomRefs2="a164 a165" order="S"/>
                  <bond atomRefs2="a168 a192" order="S"/>
                  <bond atomRefs2="a168 a169" order="S"/>
                  <bond atomRefs2="a169 a170" order="S"/>
                  <bond atomRefs2="a169 a171" order="S"/>
                  <bond atomRefs2="a171 a173" order="S"/>
                  <bond atomRefs2="a171 a172" order="S"/>
                  <bond atomRefs2="a173 a192" order="S"/>
                  <bond atomRefs2="a173 a174" order="S"/>
                  <bond atomRefs2="a174 a185" order="S"/>
                  <bond atomRefs2="a174 a175" order="S"/>
                  <bond atomRefs2="a175 a176" order="S"/>
                  <bond atomRefs2="a175 a183" order="S"/>
                  <bond atomRefs2="a176 a177" order="S"/>
                  <bond atomRefs2="a176 a178" order="S"/>
                  <bond atomRefs2="a178 a179" order="S"/>
                  <bond atomRefs2="a178 a180" order="S"/>
                  <bond atomRefs2="a180 a181" order="S"/>
                  <bond atomRefs2="a181 a182" order="S"/>
                  <bond atomRefs2="a181 a183" order="S"/>
                  <bond atomRefs2="a183 a184" order="S"/>
                  <bond atomRefs2="a185 a186" order="S"/>
                  <bond atomRefs2="a185 a187" order="S"/>
                  <bond atomRefs2="a185 a188" order="S"/>
                  <bond atomRefs2="a189 a194" order="S"/>
                  <bond atomRefs2="a190 a193" order="S"/>
                  <bond atomRefs2="a191 a196" order="S"/>
                  <bond atomRefs2="a192 a195" order="S"/>
                  <bond atomRefs2="a197 a201" order="S"/>
                  <bond atomRefs2="a198 a202" order="S"/>
                  <bond atomRefs2="a199 a203" order="S"/>
                  <bond atomRefs2="a200 a204" order="S"/>
                  <bond atomRefs2="a201 a245" order="S"/>
                  <bond atomRefs2="a201 a210" order="S"/>
                  <bond atomRefs2="a202 a240" order="S"/>
                  <bond atomRefs2="a202 a246" order="S"/>
                  <bond atomRefs2="a203 a247" order="S"/>
                  <bond atomRefs2="a203 a230" order="S"/>
                  <bond atomRefs2="a204 a248" order="S"/>
                  <bond atomRefs2="a204 a220" order="S"/>
                  <bond atomRefs2="a205 a206" order="S"/>
                  <bond atomRefs2="a205 a213" order="S"/>
                  <bond atomRefs2="a206 a207" order="S"/>
                  <bond atomRefs2="a206 a208" order="S"/>
                  <bond atomRefs2="a208 a209" order="S"/>
                  <bond atomRefs2="a208 a210" order="S"/>
                  <bond atomRefs2="a210 a211" order="S"/>
                  <bond atomRefs2="a211 a213" order="S"/>
                  <bond atomRefs2="a211 a212" order="S"/>
                  <bond atomRefs2="a213 a214" order="S"/>
                  <bond atomRefs2="a215 a216" order="S"/>
                  <bond atomRefs2="a215 a223" order="S"/>
                  <bond atomRefs2="a216 a218" order="S"/>
                  <bond atomRefs2="a216 a217" order="S"/>
                  <bond atomRefs2="a218 a219" order="S"/>
                  <bond atomRefs2="a218 a220" order="S"/>
                  <bond atomRefs2="a220 a221" order="S"/>
                  <bond atomRefs2="a221 a222" order="S"/>
                  <bond atomRefs2="a221 a223" order="S"/>
                  <bond atomRefs2="a223 a224" order="S"/>
                  <bond atomRefs2="a225 a226" order="S"/>
                  <bond atomRefs2="a225 a233" order="S"/>
                  <bond atomRefs2="a226 a227" order="S"/>
                  <bond atomRefs2="a226 a228" order="S"/>
                  <bond atomRefs2="a228 a230" order="S"/>
                  <bond atomRefs2="a228 a229" order="S"/>
                  <bond atomRefs2="a230 a231" order="S"/>
                  <bond atomRefs2="a231 a232" order="S"/>
                  <bond atomRefs2="a231 a233" order="S"/>
                  <bond atomRefs2="a233 a234" order="S"/>
                  <bond atomRefs2="a235 a243" order="S"/>
                  <bond atomRefs2="a235 a236" order="S"/>
                  <bond atomRefs2="a236 a237" order="S"/>
                  <bond atomRefs2="a236 a238" order="S"/>
                  <bond atomRefs2="a238 a239" order="S"/>
                  <bond atomRefs2="a238 a240" order="S"/>
                  <bond atomRefs2="a240 a241" order="S"/>
                  <bond atomRefs2="a241 a242" order="S"/>
                  <bond atomRefs2="a241 a243" order="S"/>
                  <bond atomRefs2="a243 a244" order="S"/>
                  <bond atomRefs2="a249 a250" order="S"/>
                  <bond atomRefs2="a249 a263" order="S"/>
                  <bond atomRefs2="a250 a258" order="S"/>
                  <bond atomRefs2="a250 a277" order="S"/>
                  <bond atomRefs2="a251 a257" order="S"/>
                  <bond atomRefs2="a251 a252" order="S"/>
                  <bond atomRefs2="a251 a256" order="S"/>
                  <bond atomRefs2="a252 a259" order="S"/>
                  <bond atomRefs2="a252 a253" order="S"/>
                  <bond atomRefs2="a253 a260" order="S"/>
                  <bond atomRefs2="a253 a254" order="S"/>
                  <bond atomRefs2="a254 a255" order="S"/>
                  <bond atomRefs2="a254 a258" order="S"/>
                  <bond atomRefs2="a255 a256" order="S"/>
                  <bond atomRefs2="a255 a261" order="S"/>
                  <bond atomRefs2="a256 a262" order="S"/>
                  <bond atomRefs2="a258 a276" order="S"/>
                  <bond atomRefs2="a258 a264" order="S"/>
                  <bond atomRefs2="a263 a278" order="S"/>
                  <bond atomRefs2="a265 a271" order="S"/>
                  <bond atomRefs2="a265 a266" order="S"/>
                  <bond atomRefs2="a265 a270" order="S"/>
                  <bond atomRefs2="a266 a272" order="S"/>
                  <bond atomRefs2="a266 a267" order="S"/>
                  <bond atomRefs2="a267 a273" order="S"/>
                  <bond atomRefs2="a267 a268" order="S"/>
                  <bond atomRefs2="a268 a279" order="S"/>
                  <bond atomRefs2="a268 a269" order="S"/>
                  <bond atomRefs2="a269 a270" order="S"/>
                  <bond atomRefs2="a269 a274" order="S"/>
                  <bond atomRefs2="a270 a275" order="S"/>
                  <bond atomRefs2="a277 a278" order="S"/>
                  <bond atomRefs2="a277 a282" order="S"/>
                  <bond atomRefs2="a278 a279" order="S"/>
                  <bond atomRefs2="a279 a280" order="S"/>
                  <bond atomRefs2="a279 a281" order="S"/>
               </bondArray>
               <formula concise="C142H117N21O2">
                  <atomArray count="142 117 21 2" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2031.6589000000026</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C128H104N16.C14H13N5O2/c1-121-89-25-41-97(42-26-89)129-73-81-9-11-82(12-10-81)76-132-101-49-33-93(34-50-101)125(5)113-65-67-115(141-113)126(6)94-35-51-102(52-36-94)134-78-85-17-13-83(14-18-85)74-130-98-43-27-90(28-44-98)122(2,107-59-57-105(121)137-107)109-61-63-111(139-109)124(4)92-31-47-100(48-32-92)133-77-87-21-23-88(24-22-87)80-136-104-55-39-96(40-56-104)128(8,119-71-69-117(126)143-119)120-72-70-118(144-120)127(7,116-68-66-114(125)142-116)95-37-53-103(54-38-95)135-79-86-19-15-84(16-20-86)75-131-99-45-29-91(30-46-99)123(3,108-60-58-106(121)138-108)110-62-64-112(124)140-110;20-14-3-5-17(6-4-14)10-13-11-18(16-15-13)9-12-1-7-19(21)8-2-12/h9-80,137-144H,1-8H3;1-8,11H,9-10H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:26,47,89,68,143,122,164,185,218,221,216,223,208,211,228,231,206,213,226,233,238,241,236,243,17,24,38,45,80,87,59,66,134,141,113,120,155,162,176,183,19,22,40,43,82,85,61,64,136,139,115,118,157,160,178,181,31,12,33,10,52,75,54,73,129,148,127,150,108,169,106,171,204,201,203,4,202,1,3,2,220,215,210,230,205,225,240,235,16,37,79,58,133,112,154,175,21,42,84,63,138,117,159,180,30,14,35,9,51,77,56,72,131,147,126,152,110,168,105,173,15,36,78,57,132,111,153,174,200,197,199,8,198,5,7,6,94,93,95,96,190,191,189,192;253,255,266,270,267,269,252,256,258,279,277,254,278,265,263,249,268,250,251,271,257/E:(1,2,3,4,5,6,7,8)(9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24)(25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40)(41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56)(57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72)(73,74,75,76,77,78,79,80)(81,82,83,84,85,86,87,88)(89,90,91,92,93,94,95,96)(97,98,99,100,101,102,103,104)(105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)(121,122,123,124,125,126,127,128)(129,130,131,132,133,134,135,136)(137,138,139,140,141,142,143,144);(1,2)(3,4)(5,6)(7,8)/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3,40.3,41.3,42.3,43.3,44.3,45.3,46.3,47.3,48.3,49.3,50.3,51.3,52.3,53.3,54.3,55.3,56.3,57.3,58.3,59.3,60.3,61.3,62.3,63.3,64.3,65.3,66.3,67.3,68.3,69.3,70.3,71.3,72.3,73.3,74.3,75.3,76.3,77.3,78.3,79.3,80.3,81.3,82.3,83.3,84.3,85.3,86.3,87.3,88.3,89.3,90.3,91.3,92.3,93.3,94.3,95.3,96.3,97.3,98.3,99.3,100.3,101.3,102.3,103.3,104.3,105.3,106.3,107.3,108.3,109.3,110.3,111.3,112.3,113.3,114.3,115.3,116.3,117.3,118.3,119.3,120.3,129.2,130.2,131.2,132.2,133.2,134.2,135.2,136.2;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.2,16.2,20.1,21.1/rA:282nC3C3C3C3N2N2N2N2C3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHNNNNHHHHHHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHC3C3HC3HC3CC3C3HC3HC3C3HC3HCHHHNNNNHHHHN2N2N2N2C3C3C3C3C3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HC3C3HC3HHHHHN2NNC3C3C3C3C3O1CHHHHN2HC3C3C3NC3C3O1HHHHHC3C3CHHH/rB:;;;s1;s2;s3;s4;;s9;s10;s10;s12;s12;s14;s15;s16;s17;s17;s19;s19;s21;s22;s16s22;s24;s15;s26;s26;s26;s15;s30;s31;s31;s33;s33;s35;s36;s37;s38;s38;s40;s40;s42;s43;s37s43;s45;s36;s47;s47;s47;s36;s51;s52;s52;s54;s54;s56;s57;s58;s59;s59;s61;s61;s63;s64;s58s64;s66;s57;s68;s68;s68;s57;s72;s73;s73;s75;s75;s9s77;s78;s79;s80;s80;s82;s82;s84;s85;s79s85;s87;s78;s89;s89;s89;s9s14;s30s35;s51s56;s72s77;s94;s93;s96;s95;s1;s2;s3;s4;;s105;s106;s106;s108;s108;s110;s111;s112;s113;s113;s115;s5s115;s117;s118;s112s118;s120;s111;s122;s122;s122;s111;s126;s127;s127;s129;s129;s131;s132;s133;s134;s134;s136;s8s136;s138;s139;s133s139;s141;s132;s143;s143;s143;s132;s147;s148;s148;s150;s150;s152;s153;s154;s155;s155;s157;s7s157;s159;s160;s154s160;s162;s153;s164;s164;s164;s153;s168;s169;s169;s171;s171;s105s173;s174;s175;s176;s176;s178;s6s178;s180;s181;s175s181;s183;s174;s185;s185;s185;s105s110;s126s131;s147s152;s168s173;s190;s189;s192;s191;s42;s63;s84;s21;s197;s198;s199;s200;s1;s205;s206;s206;s208;s201s208;s210;s211;s205s211;s213;s4;s215;s216;s216;s218;s204s218;s220;s221;s215s221;s223;s3;s225;s226;s226;s228;s203s228;s230;s231;s225s231;s233;s2;s235;s236;s236;s238;s202s238;s240;s241;s235s241;s243;s201;s202;s203;s204;;s249;;s251;s252;s253;s254;s251s255;s251;s250s254;s252;s253;s255;s256;s249;s258;;s265;s266;s267;s268;s265s269;s265;s266;s267;s269;s270;s258;s250;s263s277;s268s278;s279;s279;s277;/rC:-1.5111,-4.2183,-1.1558;-4.3984,-2.8984,3.0406;-6.3438,2.3598,1.4577;-4.1992,1.0284,-3.0142;-2.0304,-3.8677,-2.2823;-4.2805,-4.0931,2.569;-6.7153,1.2799,2.0614;-5.3066,1.6734,-3.1718;5.3301,7.6323,2.5204;6.216,8.4469,1.8289;6.3242,9.5189,1.9518;6.9534,7.6223,.929;7.7226,7.9519,.2393;6.5039,6.3198,1.0897;6.8346,5.044,.3382;5.5196,4.4131,-.1584;5.2966,3.032,-.1869;6.0587,2.3568,.1983;4.1088,2.5121,-.6962;3.9344,1.4353,-.7085;3.0968,3.3611,-1.1744;3.3356,4.7505,-1.1831;2.595,5.4297,-1.6064;4.523,5.257,-.6801;4.7006,6.3336,-.6863;7.6568,5.4067,-.9203;7.889,4.4986,-1.4902;8.5968,5.8976,-.6376;7.0834,6.0885,-1.559;7.6528,4.089,1.1834;8.9821,3.7113,1.0678;9.6821,4.0634,.3186;9.2637,2.7856,2.1121;10.2113,2.2903,2.2901;8.1031,2.6091,2.8509;7.7914,1.591,3.932;6.7979,.5428,3.3777;6.7362,.2831,1.9975;7.4062,.8296,1.3314;5.8376,-.6347,1.4687;5.8172,-.7854,.389;4.9526,-1.34,2.3104;5.0814,-1.1504,3.7001;4.4174,-1.7162,4.3552;5.9833,-.2223,4.2235;6.0348,-.0548,5.3009;9.0862,.8118,4.2637;8.8779,.0539,5.0278;9.8621,1.4931,4.6361;9.4565,.3023,3.3663;7.2791,2.233,5.2083;7.7709,2.1435,6.5038;8.6551,1.5975,6.8125;6.9147,2.9026,7.3521;7.0228,3.0306,8.4234;5.9137,3.4468,6.5624;4.6836,4.255,6.9385;3.424,3.5357,6.4147;3.3822,2.1332,6.3833;4.259,1.5721,6.7112;2.2521,1.4548,5.9465;2.238,.3645,5.9629;1.1166,2.1656,5.5067;1.1357,3.5663,5.5961;.2444,4.1185,5.297;2.2722,4.2372,6.0353;2.2719,5.3244,6.0796;4.571,4.2952,8.4799;3.6736,4.8542,8.7718;5.4502,4.7838,8.9197;4.4984,3.2759,8.878;4.7463,5.6818,6.4247;4.8964,6.8873,7.0968;5.0633,7.0086,8.1615;4.7867,7.937,6.137;4.8518,9.0005,6.3393;4.5726,7.3535,4.8959;4.2617,7.9643,3.541;2.8812,7.4677,3.0561;1.8723,7.1818,3.9876;2.0806,7.3349,5.0479;.6323,6.702,3.5862;-.1394,6.4961,4.3286;.3539,6.4975,2.2188;1.3187,6.8965,1.2762;1.09,6.7843,.2158;2.57,7.3491,1.6931;3.3303,7.599,.9534;4.1702,9.4982,3.6904;3.3839,9.7586,4.4089;3.927,9.9544,2.723;5.1246,9.9072,4.0464;5.5277,6.3467,2.0632;7.1384,3.4171,2.2758;6.1513,3.0311,5.2667;4.5657,5.9884,5.0932;6.165,3.4986,2.5828;4.982,5.5284,2.3566;4.3599,5.2901,4.3691;5.5386,3.2807,4.4807;-2.0877,-4.7879,-.4021;-5.3854,-2.4168,3.164;-6.8889,2.7674,.587;-4.1357,-.0577,-3.2086;-8.7083,-6.9036,-1.0663;-8.8583,-8.086,-1.7771;-9.2965,-9.0043,-1.4018;-8.3249,-7.8796,-3.0847;-8.2856,-8.6106,-3.8851;-7.8592,-6.5747,-3.1468;-7.1165,-5.8114,-4.228;-5.831,-5.2069,-3.6171;-5.3319,-3.9425,-3.9566;-5.9146,-3.2986,-4.6138;-4.089,-3.5088,-3.4923;-3.6981,-2.5329,-3.7834;-3.3028,-4.3186,-2.6527;-3.8138,-5.5844,-2.2943;-3.2054,-6.2587,-1.6899;-5.05,-6.0091,-2.767;-5.417,-7.0021,-2.5017;-6.6593,-6.8097,-5.317;-6.1066,-6.2796,-6.1023;-7.5257,-7.3091,-5.7688;-6.0044,-7.5716,-4.878;-8.019,-4.7814,-4.8819;-8.5717,-4.7542,-6.1549;-8.4178,-5.4927,-6.9335;-9.3909,-3.5929,-6.25;-9.9532,-3.2767,-7.1213;-9.3302,-2.9279,-5.0339;-9.8463,-1.5543,-4.6445;-8.6502,-.6282,-4.3371;-7.3877,-.896,-4.885;-7.2799,-1.7348,-5.574;-6.2817,-.1248,-4.554;-5.311,-.3539,-4.9944;-6.4077,.9591,-3.6628;-7.6968,1.3173,-3.227;-7.8059,2.1928,-2.5855;-8.7954,.5184,-3.541;-9.7806,.7619,-3.1388;-10.5977,-.9465,-5.8495;-10.9497,.0617,-5.6008;-11.4605,-1.5687,-6.1214;-9.9243,-.8769,-6.7118;-10.7802,-1.5777,-3.4498;-12.089,-1.1364,-3.3213;-12.7181,-.7703,-4.1249;-12.4522,-1.2355,-1.9462;-13.4101,-.9676,-1.5143;-11.3582,-1.735,-1.2563;-11.1377,-1.9717,.2271;-9.9258,-1.1356,.6946;-9.8363,.2093,.2848;-10.587,.5943,-.4084;-8.8297,1.0466,.7438;-8.8201,2.0885,.4222;-7.8354,.5578,1.6205;-7.9353,-.7783,2.043;-7.1725,-1.1574,2.7242;-8.9579,-1.6107,1.5869;-9.0026,-2.6438,1.9277;-12.3613,-1.426,1.0013;-12.2132,-1.5683,2.0787;-13.2738,-1.9527,.6949;-12.4898,-.3559,.8023;-11.0069,-3.4493,.5415;-11.8677,-4.292,1.231;-12.8118,-4.0091,1.6827;-11.2984,-5.5976,1.2268;-11.7185,-6.4819,1.6933;-10.0995,-5.5354,.5335;-8.9919,-6.5628,.3822;-7.7209,-6.0049,1.0558;-7.8352,-5.1416,2.1576;-8.8293,-4.9273,2.5552;-6.7192,-4.5431,2.7247;-6.8416,-3.8768,3.5792;-5.4356,-4.791,2.1969;-5.3073,-5.7623,1.189;-4.3075,-5.9927,.8191;-6.4354,-6.3476,.6171;-6.3237,-7.0528,-.2061;-9.393,-7.8525,1.1295;-9.5657,-7.6358,2.1906;-8.5879,-8.5931,1.0492;-10.3098,-8.2776,.7008;-8.1125,-5.9999,-1.9208;-8.5008,-3.6721,-4.2159;-10.3563,-1.9374,-2.1848;-9.947,-4.2262,.1158;-8.1935,-3.4033,-3.2752;-7.8147,-5.0535,-1.6671;-9.1185,-3.8588,-.3626;-9.4358,-2.3252,-1.9578;3.8791,-2.1464,1.8835;-.0424,1.5451,5.0253;-.833,5.9002,1.7709;1.9036,2.764,-1.5905;3.5276,-2.1924,.6399;.0556,.3921,4.4557;-1.3439,4.9615,2.4966;.7923,3.4212,-1.5726;-.1577,-3.8441,-.7596;.7106,-3.1643,-1.6335;.3824,-2.9834,-2.6565;1.9302,-2.6922,-1.1758;2.5864,-2.1358,-1.8492;2.3233,-2.8683,.1697;1.4849,-3.6125,1.0242;1.8006,-3.7738,2.055;.2731,-4.1002,.5582;-.3821,-4.6609,1.228;-2.955,1.6491,-2.5888;-1.7655,.8964,-2.6874;-1.8171,-.1445,-3.0115;-.5414,1.4718,-2.3946;.383,.9063,-2.5056;-.4732,2.8042,-1.9394;-1.6687,3.538,-1.789;-1.617,4.5597,-1.4076;-2.8919,2.9758,-2.1225;-3.8178,3.5441,-2.0405;-5.1176,3.0713,1.795;-4.677,4.1104,.9471;-5.3091,4.4116,.1089;-3.4575,4.7366,1.1565;-3.12,5.5474,.5108;-2.6302,4.3349,2.2228;-3.0737,3.3037,3.0798;-2.4258,2.9879,3.9015;-4.3002,2.6895,2.8774;-4.6453,1.8919,3.5338;-3.2587,-2.0688,3.3897;-3.4781,-.8286,4.0256;-4.5017,-.5278,4.2613;-2.4118,-.0167,4.3774;-2.564,.9196,4.9127;-1.0944,-.4078,4.0714;-.8794,-1.6328,3.408;.1382,-1.9275,3.1455;-1.9428,-2.4547,3.0785;-1.7878,-3.3989,2.5601;4.0793,-1.6484,-.1489;1.039,-.0647,4.2445;-.8123,4.5719,3.3832;.732,4.4661,-1.219;-1.996,-1.1737,.1382;-2.5316,.0061,.5206;-6.8334,-2.4292,-1.1035;-5.697,-2.9708,-.596;-4.7065,-2.1587,-.0745;-4.8542,-.7648,-.0903;-6.0031,-.253,-.6983;-6.9805,-1.0877,-1.1929;-7.8167,-3.214,-1.5161;-3.9673,.2177,.6208;-5.6512,-4.0556,-.6135;-3.8173,-2.6243,.3351;-6.159,.8191,-.7825;-7.9032,-.7388,-1.6436;-.6974,-1.04,.1889;-4.242,.2246,1.6894;3.4475,3.1929,2.8071;2.2514,3.6729,2.1904;1.3972,2.7995,1.573;1.6313,1.4533,1.5771;2.6628,.9589,2.3203;3.5444,1.7806,2.9573;4.3988,3.9689,3.1866;2.067,4.7416,2.1357;.5302,3.1311,1.0064;2.7558,-.1239,2.3316;4.364,1.3492,3.5226;-4.1675,1.2247,.2369;-1.5601,.9129,.8167;-.3816,.2242,.5988;1.0611,.5756,.5428;1.6087,-.371,.5876;1.3082,1.0409,-.4264;-1.7965,1.9213,1.1343;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">5817</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">566</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">5817</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">566</scalar>
               </module>
               <module cmlx:templateRef="convergence.info" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energyChange">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000001</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0000010</scalar>
                  </list>
                  <list cmlx:templateRef="rmsDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0001343</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="rmsGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0000478</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0005000</scalar>
                  </list>
                  <list cmlx:templateRef="maxDisplacement">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0004913</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0010000</scalar>
                  </list>
                  <list cmlx:templateRef="maxGradient">
                     <scalar dataType="xsd:string" dictRef="cc:converged">yes</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:value">0.0002480</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:criterion">0.0010000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitals" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="mooccupation">
                     <array dataType="xsd:string" dictRef="t:irrep" size="1">a</array>
                     <array dataType="xsd:integer" dictRef="t:numberofmos" size="1">5817</array>
                     <array dataType="xsd:integer" dictRef="t:occupiedmos" size="1">566</array>
                  </list>
                  <scalar dataType="xsd:integer" dictRef="t:basisnumber">5817</scalar>
                  <scalar dataType="xsd:integer" dictRef="t:occupied">566</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="restricted.orbitals">
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="cc:irrep"
                            size="10">562a|563a|564a|565a|566a|567a|568a|569a|570a|571a</array>
                     <array dataType="xsd:double" dictRef="t:eigen" size="10">-0.18212 -0.18118 -0.17815 -0.16792 -0.16421 -0.14392 -0.13951 -0.13397 -0.13284 -0.11450</array>
                     <array dataType="xsd:double"
                            dictRef="t:orbitalenergy"
                            size="10"
                            units="nonsi:electronvolt">-4.9558 -4.9302 -4.8477 -4.5693 -4.4684 -3.9163 -3.7964 -3.6456 -3.6147 -3.1158</array>
                     <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                  </module>
               </module>
               <module cmlx:templateRef="electrostatic.moments" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="t:nuclearCharge">1132.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:electronCharge">-1132.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="t:charge">-0.000000</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-3586.055542 3585.019920 -1.035622 742.750914 -742.307813 0.443101 1688.588948 -1688.959539 -0.370592</array>
                  <scalar dataType="xsd:string" dictRef="t:debye">3.0141</scalar>
                  <scalar dataType="xsd:double" dictRef="t:onethirdtrace">-746.941486</scalar>
                  <scalar dataType="xsd:double" dictRef="t:anisotropy">123.348565</scalar>
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="18">155987.238478 -156757.388766 -770.150288 68218.748034 -68957.553044 -738.805011 43350.920796 -44082.789955 -731.869159 61283.614643 -61337.890132 -54.275490 38390.077794 -38424.599263 -34.521469 25709.377429 -25732.138128 -22.760698</array>
               </module>
               <module cmlx:templateRef="restrictedorbitals" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string" dictRef="t:label" size="1">a</array>
                  <array dataType="xsd:string" dictRef="t:mosrange" size="1">1-566</array>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
